smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284574379 529867010 /nfs/dbraw/zinc/86/70/10/529867010.db2.gz NLCBOIXGXSBAOR-HNNXBMFYSA-N 1 0 320.397 -0.133 20 30 DBEDRO CN(CCc1ccccn1)C(=O)CNC(=[NH2+])N1CCOCC1 ZINC000262013570 529935356 /nfs/dbraw/zinc/93/53/56/529935356.db2.gz VBDAWSHJOHVPLU-UHFFFAOYSA-N 1 0 305.382 -0.271 20 30 DBEDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000367503917 530023782 /nfs/dbraw/zinc/02/37/82/530023782.db2.gz XKZJEXVWCQFIBY-GFCCVEGCSA-N 1 0 316.427 -0.238 20 30 DBEDRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337053427 530033339 /nfs/dbraw/zinc/03/33/39/530033339.db2.gz AJYUFVGSPBDRAG-VXGBXAGGSA-N 1 0 302.400 -0.518 20 30 DBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@]1(O)CCSC1 ZINC000330019504 530070678 /nfs/dbraw/zinc/07/06/78/530070678.db2.gz VEDUGJVSMIAQCQ-YPMHNXCESA-N 1 0 302.444 -0.396 20 30 DBEDRO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)c1 ZINC000357901339 138147374 /nfs/dbraw/zinc/14/73/74/138147374.db2.gz CSZHTOFOSWLTBX-STQMWFEESA-N 1 0 301.350 -0.675 20 30 DBEDRO C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)C[NH+]1CCN(C)CC1 ZINC000408253117 236897124 /nfs/dbraw/zinc/89/71/24/236897124.db2.gz DZCLSLDFLKFZDL-ZIAGYGMSSA-N 1 0 309.414 -0.196 20 30 DBEDRO COCCNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000195522926 237009423 /nfs/dbraw/zinc/00/94/23/237009423.db2.gz HWDQENJHXLEIMC-UHFFFAOYSA-N 1 0 314.411 -0.012 20 30 DBEDRO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000336919394 237034395 /nfs/dbraw/zinc/03/43/95/237034395.db2.gz PCPGPPVZFHXGRD-AGIUHOORSA-N 1 0 314.411 -0.328 20 30 DBEDRO C[NH+](C)CC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000336938325 237037537 /nfs/dbraw/zinc/03/75/37/237037537.db2.gz HNTXECAREITRQQ-CYBMUJFWSA-N 1 0 316.427 -0.271 20 30 DBEDRO N#C[C@H]1CN(S(=O)(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000336882070 237024348 /nfs/dbraw/zinc/02/43/48/237024348.db2.gz BNGRQCDPMSDQQS-ZDUSSCGKSA-N 1 0 316.427 -0.079 20 30 DBEDRO N#C[C@H]1CN(S(=O)(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000336893973 237026094 /nfs/dbraw/zinc/02/60/94/237026094.db2.gz LNTFUXINXPCGAT-LBPRGKRZSA-N 1 0 302.400 -0.469 20 30 DBEDRO COCCN(CCC#N)S(=O)(=O)NCC[NH+]1CCCC1 ZINC000336908914 237026920 /nfs/dbraw/zinc/02/69/20/237026920.db2.gz VWBJVXURGBXMGB-UHFFFAOYSA-N 1 0 304.416 -0.221 20 30 DBEDRO N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000336909758 237028564 /nfs/dbraw/zinc/02/85/64/237028564.db2.gz HGKODGJUIFXWAF-WCQYABFASA-N 1 0 314.411 -0.471 20 30 DBEDRO C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[N@H+](C)C1CC1 ZINC000337089965 237054775 /nfs/dbraw/zinc/05/47/75/237054775.db2.gz IZUULCKWDRQZRO-PWSUYJOCSA-N 1 0 302.400 -0.472 20 30 DBEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000410939061 237127653 /nfs/dbraw/zinc/12/76/53/237127653.db2.gz QOUDRWNDCWQFJX-OLZOCXBDSA-N 1 0 324.425 -0.092 20 30 DBEDRO COCCNC(=O)CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264134665 237223647 /nfs/dbraw/zinc/22/36/47/237223647.db2.gz UXODPDZTVUOHFT-UHFFFAOYSA-N 1 0 324.381 -0.129 20 30 DBEDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1 ZINC000264072486 237224882 /nfs/dbraw/zinc/22/48/82/237224882.db2.gz GOQIYJWNSPSOFW-SNVBAGLBSA-N 1 0 314.411 -0.184 20 30 DBEDRO [NH2+]=C(NCCCN1CCOCC1)NCCNC(=O)c1ccco1 ZINC000264058939 237225848 /nfs/dbraw/zinc/22/58/48/237225848.db2.gz BYDHOHPQVWMXTI-UHFFFAOYSA-N 1 0 323.397 -0.364 20 30 DBEDRO [NH2+]=C(NC[C@]1(O)CCSC1)N1CCN(c2ncccn2)CC1 ZINC000262485211 237205050 /nfs/dbraw/zinc/20/50/50/237205050.db2.gz IMHMAORZZRMLQT-CQSZACIVSA-N 1 0 322.438 -0.219 20 30 DBEDRO COC[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)OC ZINC000272586474 237249458 /nfs/dbraw/zinc/24/94/58/237249458.db2.gz BSFKNHJZKQNXNN-LBPRGKRZSA-N 1 0 308.386 -0.425 20 30 DBEDRO [NH2+]=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC1CC1 ZINC000269717788 237242079 /nfs/dbraw/zinc/24/20/79/237242079.db2.gz SSVPMRSJYWWRTE-SECBINFHSA-N 1 0 303.409 -0.051 20 30 DBEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000286958536 237269577 /nfs/dbraw/zinc/26/95/77/237269577.db2.gz BGUZLHSJPDYHMG-SECBINFHSA-N 1 0 300.384 -0.227 20 30 DBEDRO CCS(=O)(=O)NCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000551241330 283809674 /nfs/dbraw/zinc/80/96/74/283809674.db2.gz IZXFUHAUJZMVLA-UHFFFAOYSA-N 1 0 308.367 -0.370 20 30 DBEDRO C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[NH+](C)C ZINC000562715268 284014150 /nfs/dbraw/zinc/01/41/50/284014150.db2.gz PGHRHIZYJJLVGA-NSHDSACASA-N 1 0 324.406 -0.097 20 30 DBEDRO CN(C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000563889225 284051700 /nfs/dbraw/zinc/05/17/00/284051700.db2.gz WOBLWXZNBKUFSR-CYBMUJFWSA-N 1 0 311.407 -0.156 20 30 DBEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](CC)CC)C1=O ZINC000283248720 335003146 /nfs/dbraw/zinc/00/31/46/335003146.db2.gz BIHIDJFRDWRLJM-CYBMUJFWSA-N 1 0 324.425 -0.310 20 30 DBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000564948113 284073884 /nfs/dbraw/zinc/07/38/84/284073884.db2.gz VDZLWIQVXRWHLO-GFCCVEGCSA-N 1 0 317.349 -0.271 20 30 DBEDRO C[NH2+]C[C@@H](C)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000564991426 284077225 /nfs/dbraw/zinc/07/72/25/284077225.db2.gz VUAIGMYHRSBQJZ-LLVKDONJSA-N 1 0 324.406 -0.192 20 30 DBEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000565542418 284098827 /nfs/dbraw/zinc/09/88/27/284098827.db2.gz ZCFGDAGSDFCUEO-NSHDSACASA-N 1 0 312.370 -0.039 20 30 DBEDRO CC[C@@H]1C(=O)NCCN1CC#CCN1CCNC(=O)[C@H]1CC ZINC000283890456 335008307 /nfs/dbraw/zinc/00/83/07/335008307.db2.gz BBNMMXWGNHXHFF-ZIAGYGMSSA-N 1 0 306.410 -0.589 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])C1=O ZINC000262648305 374275500 /nfs/dbraw/zinc/27/55/00/374275500.db2.gz WEYQNHZOCOXMJL-UWVGGRQHSA-N 1 0 308.338 -0.793 20 30 DBEDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000343169424 374398497 /nfs/dbraw/zinc/39/84/97/374398497.db2.gz NGGVEDLTOKPFKG-LLVKDONJSA-N 1 0 308.313 -0.325 20 30 DBEDRO CNC(=O)CN1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000363349976 374391066 /nfs/dbraw/zinc/39/10/66/374391066.db2.gz UMFBVYUNACUHCW-UHFFFAOYSA-N 1 0 302.400 -0.626 20 30 DBEDRO CC#CCN(C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000298347928 374469658 /nfs/dbraw/zinc/46/96/58/374469658.db2.gz MJANMXVGSORIHB-UHFFFAOYSA-N 1 0 320.393 -0.077 20 30 DBEDRO COC(=O)[C@](C)(O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000343761717 374470932 /nfs/dbraw/zinc/47/09/32/374470932.db2.gz SUVRPMNDXPDJAW-OAHLLOKOSA-N 1 0 321.381 -0.354 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC[N@H+]2CC)C1=O ZINC000299613244 374533206 /nfs/dbraw/zinc/53/32/06/374533206.db2.gz ZCJFBFVIEGZRED-LLVKDONJSA-N 1 0 322.365 -0.436 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)C2CC2)C1=O ZINC000299620766 374533751 /nfs/dbraw/zinc/53/37/51/374533751.db2.gz ZTUKKQDMJXYJNY-UHFFFAOYSA-N 1 0 308.338 -0.826 20 30 DBEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000568262770 374585644 /nfs/dbraw/zinc/58/56/44/374585644.db2.gz XJCPPJAPAQPHHF-CHWSQXEVSA-N 1 0 318.443 -0.098 20 30 DBEDRO CN1CCN(C(=O)CCNC(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000408096264 374615756 /nfs/dbraw/zinc/61/57/56/374615756.db2.gz YSDXECRFSOJTJR-GFCCVEGCSA-N 1 0 309.370 -0.916 20 30 DBEDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068881110 374615927 /nfs/dbraw/zinc/61/59/27/374615927.db2.gz ZBUAEGRASRMIIY-UHFFFAOYSA-N 1 0 316.427 -0.284 20 30 DBEDRO C[NH+](C)C1CCN(CCNC(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000408010890 374688157 /nfs/dbraw/zinc/68/81/57/374688157.db2.gz RDUNOBSOACONBJ-CQSZACIVSA-N 1 0 309.414 -0.054 20 30 DBEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](CO)C[NH+](C)C ZINC000588866972 374769019 /nfs/dbraw/zinc/76/90/19/374769019.db2.gz UACUTBKYLHWWFA-LBPRGKRZSA-N 1 0 307.350 -0.016 20 30 DBEDRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600746300 374850282 /nfs/dbraw/zinc/85/02/82/374850282.db2.gz WKGZCVXKZMQEND-STQMWFEESA-N 1 0 314.382 -0.039 20 30 DBEDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000600759302 374851840 /nfs/dbraw/zinc/85/18/40/374851840.db2.gz GBECCLIPAPYNHW-LLVKDONJSA-N 1 0 304.416 -0.633 20 30 DBEDRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000339793068 374966338 /nfs/dbraw/zinc/96/63/38/374966338.db2.gz VOYRSBXUIZBCQS-ZDUSSCGKSA-N 1 0 316.361 -0.514 20 30 DBEDRO COCC[N@H+](C)CCCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000075676855 375004877 /nfs/dbraw/zinc/00/48/77/375004877.db2.gz MLHWLOYQGWDQIV-UHFFFAOYSA-N 1 0 309.370 -0.664 20 30 DBEDRO C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C[NH+]1CCOCC1 ZINC000077995729 375013567 /nfs/dbraw/zinc/01/35/67/375013567.db2.gz SKGJCMLFGIKFRF-LLVKDONJSA-N 1 0 321.381 -0.664 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1=O ZINC000286007582 335031594 /nfs/dbraw/zinc/03/15/94/335031594.db2.gz JAZKMCSHXXOPFJ-JBLDHEPKSA-N 1 0 322.365 -0.534 20 30 DBEDRO Cn1c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C#N)c(=O)n(C)c1=O ZINC000363108751 375041823 /nfs/dbraw/zinc/04/18/23/375041823.db2.gz XTWXABBTZITTHG-GHMZBOCLSA-N 1 0 303.366 -0.006 20 30 DBEDRO C=CCNC(=O)CN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635158296 375097774 /nfs/dbraw/zinc/09/77/74/375097774.db2.gz XQYTWSVLVCQTEW-CQSZACIVSA-N 1 0 308.426 -0.225 20 30 DBEDRO CC(=O)N1CCN(CCNC(=O)c2cccc(C#N)n2)CC1 ZINC000589308748 375456737 /nfs/dbraw/zinc/45/67/37/375456737.db2.gz OOXURRZGDNMBMN-UHFFFAOYSA-N 1 0 301.350 -0.153 20 30 DBEDRO N#CCC1CC[NH+]([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1 ZINC000589542165 375457934 /nfs/dbraw/zinc/45/79/34/375457934.db2.gz RYCMOZMLMDRMJS-CYBMUJFWSA-N 1 0 309.366 -0.252 20 30 DBEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C[NH3+])C1 ZINC000300707578 375626832 /nfs/dbraw/zinc/62/68/32/375626832.db2.gz KXPRCJNGNUQNER-SECBINFHSA-N 1 0 300.409 -0.117 20 30 DBEDRO CN(CCC[NH3+])C(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000566510937 375598846 /nfs/dbraw/zinc/59/88/46/375598846.db2.gz DZELREUEVJWRHX-UHFFFAOYSA-N 1 0 304.350 -0.140 20 30 DBEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000601422158 375606244 /nfs/dbraw/zinc/60/62/44/375606244.db2.gz PDMZJQMAONUDJA-IJLUTSLNSA-N 1 0 302.400 -0.520 20 30 DBEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000601422157 375606441 /nfs/dbraw/zinc/60/64/41/375606441.db2.gz PDMZJQMAONUDJA-GRYCIOLGSA-N 1 0 302.400 -0.520 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)NCC(=O)N2CCOCC2)CC1 ZINC000183594395 335035153 /nfs/dbraw/zinc/03/51/53/335035153.db2.gz VQZYANPSEVCSDU-UHFFFAOYSA-N 1 0 310.398 -0.205 20 30 DBEDRO C[C@H](C[NH3+])N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000592469603 375807641 /nfs/dbraw/zinc/80/76/41/375807641.db2.gz ZOMQWVNIYVDIBE-SNVBAGLBSA-N 1 0 310.379 -0.358 20 30 DBEDRO C[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)n1cnc(C#N)n1 ZINC000592871498 375826281 /nfs/dbraw/zinc/82/62/81/375826281.db2.gz IWUAAMYBZAIYFQ-QWRGUYRKSA-N 1 0 319.369 -0.711 20 30 DBEDRO C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)n1cnc(C#N)n1 ZINC000592871490 375826627 /nfs/dbraw/zinc/82/66/27/375826627.db2.gz IWUAAMYBZAIYFQ-GHMZBOCLSA-N 1 0 319.369 -0.711 20 30 DBEDRO O=[S@]1C[C@@H]2C[C@H]1CN2CC#CCN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100970 375847951 /nfs/dbraw/zinc/84/79/51/375847951.db2.gz QKRJBOPBICPOFZ-PTYDGGDLSA-N 1 0 312.460 -0.600 20 30 DBEDRO C[NH+](C)CCN1CCN(C(=O)c2ccnc(C#N)c2)CC1=O ZINC000593235813 375852374 /nfs/dbraw/zinc/85/23/74/375852374.db2.gz VIWPQGSLAUXWDN-UHFFFAOYSA-N 1 0 301.350 -0.201 20 30 DBEDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C#N)nc2)CC1=O ZINC000593235294 375853260 /nfs/dbraw/zinc/85/32/60/375853260.db2.gz RHIKHBVZUUTCLM-UHFFFAOYSA-N 1 0 301.350 -0.201 20 30 DBEDRO COCCOCCN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000593919174 375897879 /nfs/dbraw/zinc/89/78/79/375897879.db2.gz QXNZDQPUJPGXKK-AWEZNQCLSA-N 1 0 312.414 -0.185 20 30 DBEDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000593900204 375899089 /nfs/dbraw/zinc/89/90/89/375899089.db2.gz LPEUKVOMWPOGLN-CQSZACIVSA-N 1 0 316.409 -0.119 20 30 DBEDRO N#Cc1ccc([C@H](C(N)=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594025409 375906388 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C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(C(=O)NC)CCC1 ZINC001322054455 806706747 /nfs/dbraw/zinc/70/67/47/806706747.db2.gz NOXXPFDAPIIHJJ-RYUDHWBXSA-N 1 0 324.425 -0.312 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001322059055 806706807 /nfs/dbraw/zinc/70/68/07/806706807.db2.gz CIOHRXHDOZHDHW-CMPLNLGQSA-N 1 0 305.382 -0.507 20 30 DBEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)Cn1nccc1C ZINC001322259551 806727249 /nfs/dbraw/zinc/72/72/49/806727249.db2.gz YCZMZGJGRFMLRI-GFCCVEGCSA-N 1 0 305.382 -0.623 20 30 DBEDRO C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001322260550 806727531 /nfs/dbraw/zinc/72/75/31/806727531.db2.gz BGOGXAXGPOPOPR-NEPJUHHUSA-N 1 0 310.398 -0.606 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000875084809 806728791 /nfs/dbraw/zinc/72/87/91/806728791.db2.gz KWGCDRWODKOTQC-QWHCGFSZSA-N 1 0 307.394 -0.259 20 30 DBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001322291395 806731280 /nfs/dbraw/zinc/73/12/80/806731280.db2.gz AFIBPCVFLRSIQH-LBPRGKRZSA-N 1 0 309.366 -0.778 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875157368 806733298 /nfs/dbraw/zinc/73/32/98/806733298.db2.gz QSNOXICPAWKAQE-MCIONIFRSA-N 1 0 323.393 -0.880 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875157373 806733724 /nfs/dbraw/zinc/73/37/24/806733724.db2.gz QSNOXICPAWKAQE-RDBSUJKOSA-N 1 0 323.393 -0.880 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875157371 806734101 /nfs/dbraw/zinc/73/41/01/806734101.db2.gz QSNOXICPAWKAQE-MGPQQGTHSA-N 1 0 323.393 -0.880 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001322334898 806734296 /nfs/dbraw/zinc/73/42/96/806734296.db2.gz BBKGUOAUTZIODB-NWDGAFQWSA-N 1 0 318.381 -0.725 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000875178858 806735611 /nfs/dbraw/zinc/73/56/11/806735611.db2.gz WVXWYKLLFNOTDZ-ZIAGYGMSSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1nnn(C)c1C ZINC001322451890 806740898 /nfs/dbraw/zinc/74/08/98/806740898.db2.gz GWEZMNHTVRTTAY-NSHDSACASA-N 1 0 320.397 -0.687 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cnnc(C)c1 ZINC001322484071 806745055 /nfs/dbraw/zinc/74/50/55/806745055.db2.gz WHGLBRZIXUBZHN-ZDUSSCGKSA-N 1 0 317.393 -0.025 20 30 DBEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C#CC(C)C ZINC001322503642 806747583 /nfs/dbraw/zinc/74/75/83/806747583.db2.gz YOZHAGKTSZBZHX-GFCCVEGCSA-N 1 0 310.398 -0.072 20 30 DBEDRO C#C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)[C@@H]1CCCO1 ZINC000875322641 806743040 /nfs/dbraw/zinc/74/30/40/806743040.db2.gz CKEACHVEFKKLNS-XQLPTFJDSA-N 1 0 319.405 -0.164 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C)no2)CC1 ZINC001322541854 806751119 /nfs/dbraw/zinc/75/11/19/806751119.db2.gz ZHTJXDRCHBBHLN-UHFFFAOYSA-N 1 0 321.381 -0.197 20 30 DBEDRO C#C[C@@H](NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCO1 ZINC000875507270 806751407 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20 30 DBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001322696480 806769601 /nfs/dbraw/zinc/76/96/01/806769601.db2.gz XKPMGQBRPRGTSD-UONOGXRCSA-N 1 0 324.425 -0.848 20 30 DBEDRO C#CC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000875926436 806774080 /nfs/dbraw/zinc/77/40/80/806774080.db2.gz FQSMNIIKUHSLJA-QWHCGFSZSA-N 1 0 311.382 -0.229 20 30 DBEDRO C#CC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000875926437 806774144 /nfs/dbraw/zinc/77/41/44/806774144.db2.gz FQSMNIIKUHSLJA-STQMWFEESA-N 1 0 311.382 -0.229 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC001322802599 806782566 /nfs/dbraw/zinc/78/25/66/806782566.db2.gz NBTKWZPUYHGUBO-LBPRGKRZSA-N 1 0 308.382 -0.900 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cn2cncn2)C1=O ZINC001322826435 806787310 /nfs/dbraw/zinc/78/73/10/806787310.db2.gz JYQAUELMZAZELP-ZDUSSCGKSA-N 1 0 320.397 -0.497 20 30 DBEDRO C[NH+](C)C[C@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000876503525 806787343 /nfs/dbraw/zinc/78/73/43/806787343.db2.gz MFKYRBUEQAZTTL-ZDUSSCGKSA-N 1 0 302.382 -0.509 20 30 DBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000876580065 806791508 /nfs/dbraw/zinc/79/15/08/806791508.db2.gz DLXLQYNKXMPFGR-SNVBAGLBSA-N 1 0 324.834 -0.593 20 30 DBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876591567 806792746 /nfs/dbraw/zinc/79/27/46/806792746.db2.gz KTDBBGJFGWJXNZ-ZJUUUORDSA-N 1 0 309.819 -0.004 20 30 DBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000876622953 806793568 /nfs/dbraw/zinc/79/35/68/806793568.db2.gz RLMZEWSGAGIFNJ-VHSXEESVSA-N 1 0 309.819 -0.004 20 30 DBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000876622951 806793889 /nfs/dbraw/zinc/79/38/89/806793889.db2.gz RLMZEWSGAGIFNJ-NXEZZACHSA-N 1 0 309.819 -0.004 20 30 DBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876716202 806800759 /nfs/dbraw/zinc/80/07/59/806800759.db2.gz UOKXSGHRPYHXFF-JSGCOSHPSA-N 1 0 312.389 -0.620 20 30 DBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000876723481 806800428 /nfs/dbraw/zinc/80/04/28/806800428.db2.gz BOANQGWBKWTMAU-LBPRGKRZSA-N 1 0 302.806 -0.263 20 30 DBEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001322953849 806803345 /nfs/dbraw/zinc/80/33/45/806803345.db2.gz AXVGKZWMFVJIII-RWMBFGLXSA-N 1 0 308.382 -0.274 20 30 DBEDRO Cc1cc(CC(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)no1 ZINC001322974683 806805936 /nfs/dbraw/zinc/80/59/36/806805936.db2.gz KOKMBZZITQIIQU-CYBMUJFWSA-N 1 0 319.365 -0.350 20 30 DBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C#CC(C)C)C1CC1 ZINC001322990261 806808833 /nfs/dbraw/zinc/80/88/33/806808833.db2.gz DZSZPRBHTQPSDC-WCQYABFASA-N 1 0 322.409 -0.026 20 30 DBEDRO C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CC1 ZINC001323000697 806809754 /nfs/dbraw/zinc/80/97/54/806809754.db2.gz QEMNKOXBRQCKRK-OCCSQVGLSA-N 1 0 315.377 -0.120 20 30 DBEDRO COC1CC(C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001323015695 806812026 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DBEDRO C[C@]1(C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)CCCOC1 ZINC001323088576 806822485 /nfs/dbraw/zinc/82/24/85/806822485.db2.gz IOQCVPVKTDLAAE-CJNGLKHVSA-N 1 0 322.409 -0.073 20 30 DBEDRO Cc1nc[nH]c1CC(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001323098156 806823428 /nfs/dbraw/zinc/82/34/28/806823428.db2.gz BHJHLYXTUFMNEW-CYBMUJFWSA-N 1 0 318.381 -0.615 20 30 DBEDRO Cc1nc[nH]c1CC(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001323098158 806823690 /nfs/dbraw/zinc/82/36/90/806823690.db2.gz BHJHLYXTUFMNEW-ZDUSSCGKSA-N 1 0 318.381 -0.615 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1[nH]cnc1CC)C1CC1 ZINC001323098483 806823870 /nfs/dbraw/zinc/82/38/70/806823870.db2.gz DOSXRYPEPPKPGB-CYBMUJFWSA-N 1 0 317.393 -0.181 20 30 DBEDRO C=CC[C@]1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCC[NH2+]1 ZINC000877248073 806828864 /nfs/dbraw/zinc/82/88/64/806828864.db2.gz FGTUHVKZTWWBNE-JKSUJKDBSA-N 1 0 323.393 -0.571 20 30 DBEDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000877296273 806830946 /nfs/dbraw/zinc/83/09/46/806830946.db2.gz ABBZQYDTVISPJX-OAHLLOKOSA-N 1 0 316.409 -0.119 20 30 DBEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cn1 ZINC000877296973 806832226 /nfs/dbraw/zinc/83/22/26/806832226.db2.gz MSMUBRBWSFLRSV-LSDHHAIUSA-N 1 0 315.377 -0.034 20 30 DBEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cn1 ZINC000877296971 806832325 /nfs/dbraw/zinc/83/23/25/806832325.db2.gz MSMUBRBWSFLRSV-GJZGRUSLSA-N 1 0 315.377 -0.034 20 30 DBEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001323276192 806848892 /nfs/dbraw/zinc/84/88/92/806848892.db2.gz FHXGMFDOMVJMMS-KBPBESRZSA-N 1 0 308.426 -0.037 20 30 DBEDRO C[NH+]1CCC(C#N)(NC(=O)CN2CCCCS2(=O)=O)CC1 ZINC000878224180 806850639 /nfs/dbraw/zinc/85/06/39/806850639.db2.gz XRQPMMIAPRYWAX-UHFFFAOYSA-N 1 0 314.411 -0.484 20 30 DBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001323333463 806857974 /nfs/dbraw/zinc/85/79/74/806857974.db2.gz CSUKXOVSIIYUPE-KGLIPLIRSA-N 1 0 320.437 -0.037 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001323319918 806855895 /nfs/dbraw/zinc/85/58/95/806855895.db2.gz TWSROHTYXUFXCQ-LLVKDONJSA-N 1 0 301.412 -0.472 20 30 DBEDRO C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001323354935 806861633 /nfs/dbraw/zinc/86/16/33/806861633.db2.gz DFPCOVHNVRTZAQ-VXGBXAGGSA-N 1 0 312.414 -0.179 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CCOC2)CC1 ZINC001323411819 806870386 /nfs/dbraw/zinc/87/03/86/806870386.db2.gz OANSLOVSDBBINZ-QWHCGFSZSA-N 1 0 307.394 -0.211 20 30 DBEDRO CCc1nc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)co1 ZINC001323423738 806872043 /nfs/dbraw/zinc/87/20/43/806872043.db2.gz KGRRQHWAIWIMSO-UHFFFAOYSA-N 1 0 305.338 -0.271 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)c2cnn(C)c2N)CC1 ZINC001323423545 806872316 /nfs/dbraw/zinc/87/23/16/806872316.db2.gz GTKCHBZSMNDUHM-UHFFFAOYSA-N 1 0 306.370 -0.844 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001323434676 806873796 /nfs/dbraw/zinc/87/37/96/806873796.db2.gz CQOBGGFHUQBRDY-UWVGGRQHSA-N 1 0 310.354 -0.976 20 30 DBEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)CC1 ZINC000879260675 806881378 /nfs/dbraw/zinc/88/13/78/806881378.db2.gz YPZPREOOBLNQLX-HOCLYGCPSA-N 1 0 309.410 -0.765 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001323479054 806878272 /nfs/dbraw/zinc/87/82/72/806878272.db2.gz CVEIWJCYXMRBHM-QWHCGFSZSA-N 1 0 307.394 -0.211 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2nc(C)cc2C)CC1 ZINC001323490784 806880451 /nfs/dbraw/zinc/88/04/51/806880451.db2.gz WZKJRIITZHMNSF-UHFFFAOYSA-N 1 0 317.393 -0.512 20 30 DBEDRO CC[NH+]1CCC(NC(=O)CN(CC#N)CCC(=O)OC)CC1 ZINC000879475546 806887217 /nfs/dbraw/zinc/88/72/17/806887217.db2.gz NFONBABFMVHGSS-UHFFFAOYSA-N 1 0 310.398 -0.024 20 30 DBEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535615 806891900 /nfs/dbraw/zinc/89/19/00/806891900.db2.gz PUZDZMAVTHABOJ-MXWKQRLJSA-N 1 0 304.350 -0.516 20 30 DBEDRO CCc1nc[nH]c1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001323603030 806893871 /nfs/dbraw/zinc/89/38/71/806893871.db2.gz QVNZXYBVBBFCTQ-UHFFFAOYSA-N 1 0 304.354 -0.536 20 30 DBEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879692786 806895959 /nfs/dbraw/zinc/89/59/59/806895959.db2.gz DCNQWXVZQMVQMJ-ZNMIVQPWSA-N 1 0 306.362 -0.169 20 30 DBEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879692785 806896720 /nfs/dbraw/zinc/89/67/20/806896720.db2.gz DCNQWXVZQMVQMJ-QLFBSQMISA-N 1 0 306.362 -0.169 20 30 DBEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696876 806897695 /nfs/dbraw/zinc/89/76/95/806897695.db2.gz PFHGIUQDTBVLIK-QLFBSQMISA-N 1 0 306.362 -0.169 20 30 DBEDRO C#CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 ZINC001323843367 806921380 /nfs/dbraw/zinc/92/13/80/806921380.db2.gz FFTUYMFDWIPENW-CJNGLKHVSA-N 1 0 307.394 -0.305 20 30 DBEDRO C#CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)OC)C2)C1 ZINC001323843369 806921886 /nfs/dbraw/zinc/92/18/86/806921886.db2.gz FFTUYMFDWIPENW-XJKSGUPXSA-N 1 0 307.394 -0.305 20 30 DBEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CCNC(=O)COC)C2)C1 ZINC001323857456 806922213 /nfs/dbraw/zinc/92/22/13/806922213.db2.gz IFWDYAQKCJVMQO-INIZCTEOSA-N 1 0 307.394 -0.303 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2=COCCO2)[C@@H](C)C1 ZINC001324042227 806939896 /nfs/dbraw/zinc/93/98/96/806939896.db2.gz LUPCIICRUXROAD-STQMWFEESA-N 1 0 321.377 -0.407 20 30 DBEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001324080746 806942890 /nfs/dbraw/zinc/94/28/90/806942890.db2.gz KRKLROKBNGFAGI-GGAZOKNXSA-N 1 0 320.393 -0.512 20 30 DBEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cnn(C)n1 ZINC001324087657 806943043 /nfs/dbraw/zinc/94/30/43/806943043.db2.gz IVOBJSZDAIRYRR-WDEREUQCSA-N 1 0 319.369 -0.962 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001324080784 806943104 /nfs/dbraw/zinc/94/31/04/806943104.db2.gz KRKLROKBNGFAGI-JYKNGBAOSA-N 1 0 320.393 -0.512 20 30 DBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H](C)C1 ZINC001324080073 806943336 /nfs/dbraw/zinc/94/33/36/806943336.db2.gz FFACDHQYOWOMMJ-NEPJUHHUSA-N 1 0 318.443 -0.463 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC(N)=O)[C@H](C)C1 ZINC001324104543 806943830 /nfs/dbraw/zinc/94/38/30/806943830.db2.gz VOLOVLXOTVUWRA-OLZOCXBDSA-N 1 0 322.409 -0.640 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(=O)[nH]1 ZINC001324127534 806945227 /nfs/dbraw/zinc/94/52/27/806945227.db2.gz BTWMIVXCQSUKDP-LBPRGKRZSA-N 1 0 316.361 -0.269 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001324187753 806950277 /nfs/dbraw/zinc/95/02/77/806950277.db2.gz UWNIJNGRDTXAMK-GHMZBOCLSA-N 1 0 304.354 -0.863 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1cn[nH]n1 ZINC001324187755 806950332 /nfs/dbraw/zinc/95/03/32/806950332.db2.gz UWNIJNGRDTXAMK-QWRGUYRKSA-N 1 0 304.354 -0.863 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1n[nH]nc1C 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CO[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)C1CC1 ZINC001164342696 833205577 /nfs/dbraw/zinc/20/55/77/833205577.db2.gz LEJOSJOQYKGKJN-AWEZNQCLSA-N 1 0 322.409 -0.073 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C#CC2CC2)CC1 ZINC001164479584 833213058 /nfs/dbraw/zinc/21/30/58/833213058.db2.gz RXLINQMZMFDDEU-UHFFFAOYSA-N 1 0 320.393 -0.269 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC)C[C@H]1C ZINC001105791904 827505658 /nfs/dbraw/zinc/50/56/58/827505658.db2.gz CYIFOARXJGNYDC-MGPQQGTHSA-N 1 0 309.410 -0.155 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C ZINC001105793612 827506778 /nfs/dbraw/zinc/50/67/78/827506778.db2.gz LNYRUXXQMOVWDX-UMVBOHGHSA-N 1 0 309.410 -0.155 20 30 DBEDRO C=CCNC(=O)CN(C)[C@H](C)CNC(=O)c1ccc(=O)[nH]n1 ZINC001275764353 833207433 /nfs/dbraw/zinc/20/74/33/833207433.db2.gz FIMFYTPLMUTKEE-SNVBAGLBSA-N 1 0 307.354 -0.466 20 30 DBEDRO C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105808117 827514479 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C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ocnc1CC ZINC001133583944 830790349 /nfs/dbraw/zinc/79/03/49/830790349.db2.gz IQVUYGOTGIDBKE-UHFFFAOYSA-N 1 0 323.353 -0.432 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@@H](O)COCCOC)c1 ZINC001133592763 830790869 /nfs/dbraw/zinc/79/08/69/830790869.db2.gz ALUZOEZABYDYGV-OAHLLOKOSA-N 1 0 321.377 -0.594 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)c1 ZINC001133593296 830791186 /nfs/dbraw/zinc/79/11/86/830791186.db2.gz XRXSVPOKZGJHTG-UHFFFAOYSA-N 1 0 324.344 -0.189 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001133625142 830797919 /nfs/dbraw/zinc/79/79/19/830797919.db2.gz AEFJQDRTEQMPSV-QWHCGFSZSA-N 1 0 318.377 -0.307 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)Oc1cccnc1 ZINC001133625976 830798389 /nfs/dbraw/zinc/79/83/89/830798389.db2.gz VLJNQCJEWARPSE-GFCCVEGCSA-N 1 0 304.350 -0.696 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCC1=O ZINC001133633094 830799702 /nfs/dbraw/zinc/79/97/02/830799702.db2.gz 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C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133754846 830819087 /nfs/dbraw/zinc/81/90/87/830819087.db2.gz XUTXKIYVAFGIEC-MRXNPFEDSA-N 1 0 324.425 -0.357 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766687 830821765 /nfs/dbraw/zinc/82/17/65/830821765.db2.gz KZCYZWYZXYCGFC-INIZCTEOSA-N 1 0 322.409 -0.581 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC001133773976 830823498 /nfs/dbraw/zinc/82/34/98/830823498.db2.gz OJVPZJAJBRPAHA-UONOGXRCSA-N 1 0 316.361 -0.203 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnsn1)[NH2+]CC(=O)NCC#N ZINC001133779196 830824530 /nfs/dbraw/zinc/82/45/30/830824530.db2.gz LWYQKVMPGILMAH-BDAKNGLRSA-N 1 0 310.383 -0.336 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cn(C)nc1Cl ZINC001133791552 830826883 /nfs/dbraw/zinc/82/68/83/830826883.db2.gz PZVFJXFWQJUHEJ-UHFFFAOYSA-N 1 0 313.789 -0.376 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cccnc1C ZINC001133804379 830829097 /nfs/dbraw/zinc/82/90/97/830829097.db2.gz PPUWTHUBVHKQKI-ZDUSSCGKSA-N 1 0 302.378 -0.224 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C)n(C)n1 ZINC001133829816 830832306 /nfs/dbraw/zinc/83/23/06/830832306.db2.gz IIJHGSSICMSDMW-NEPJUHHUSA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001133866900 830843251 /nfs/dbraw/zinc/84/32/51/830843251.db2.gz OHGJKOKDUDUWCZ-MNOVXSKESA-N 1 0 305.382 -0.046 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001133869711 830843835 /nfs/dbraw/zinc/84/38/35/830843835.db2.gz JXZJSJFFTZQGOA-ZDUSSCGKSA-N 1 0 319.409 -0.238 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccnc(OC)c1 ZINC001133877386 830848218 /nfs/dbraw/zinc/84/82/18/830848218.db2.gz WPGCVVONFAZRII-GFCCVEGCSA-N 1 0 318.377 -0.524 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001133893872 830851460 /nfs/dbraw/zinc/85/14/60/830851460.db2.gz VGIKFQRQWCELLF-QWHCGFSZSA-N 1 0 319.409 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001133916286 830854305 /nfs/dbraw/zinc/85/43/05/830854305.db2.gz FWANKVHTIQIBCH-MNOVXSKESA-N 1 0 305.382 -0.046 20 30 DBEDRO Cc1ncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001133916046 830854985 /nfs/dbraw/zinc/85/49/85/830854985.db2.gz BYFVDMIVIILILV-UWVGGRQHSA-N 1 0 306.370 -0.156 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1C(F)F ZINC001133925895 830857417 /nfs/dbraw/zinc/85/74/17/830857417.db2.gz VWVSSDYSVKXUAH-UHFFFAOYSA-N 1 0 301.253 -0.429 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1C(F)F ZINC001133928844 830858280 /nfs/dbraw/zinc/85/82/80/830858280.db2.gz KKWBDLHGHVDVMH-UHFFFAOYSA-N 1 0 300.265 -0.319 20 30 DBEDRO COCCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133926312 830858763 /nfs/dbraw/zinc/85/87/63/830858763.db2.gz GMWGUGPHKBYNOL-RYUDHWBXSA-N 1 0 314.386 -0.838 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)nc1C ZINC001133937043 830860593 /nfs/dbraw/zinc/86/05/93/830860593.db2.gz UISCFHAKKFWJLB-VXGBXAGGSA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nc1C ZINC001133937041 830860763 /nfs/dbraw/zinc/86/07/63/830860763.db2.gz UISCFHAKKFWJLB-NWDGAFQWSA-N 1 0 319.409 -0.036 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133940246 830860914 /nfs/dbraw/zinc/86/09/14/830860914.db2.gz VAXUSTIGZQUDCB-UTUOFQBUSA-N 1 0 310.398 -0.716 20 30 DBEDRO CCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133970104 830868354 /nfs/dbraw/zinc/86/83/54/830868354.db2.gz RLEDGCRPHSPRGE-QWRGUYRKSA-N 1 0 311.386 -0.975 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1ccon1)[NH2+]CC(=O)NCC#N ZINC001133990276 830869991 /nfs/dbraw/zinc/86/99/91/830869991.db2.gz RKKWRQHAEDTSNS-MNOVXSKESA-N 1 0 307.354 -0.270 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134044085 830883026 /nfs/dbraw/zinc/88/30/26/830883026.db2.gz UXENNYIHSSDCIM-RYUDHWBXSA-N 1 0 322.413 -0.088 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cc(C)[nH]n1 ZINC001134056440 830883718 /nfs/dbraw/zinc/88/37/18/830883718.db2.gz PUCQPAFXSQTKQW-NWDGAFQWSA-N 1 0 319.409 -0.117 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134045437 830883935 /nfs/dbraw/zinc/88/39/35/830883935.db2.gz GDSOZTHLVOWNNZ-YNEHKIRRSA-N 1 0 319.409 -0.080 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001134054352 830884232 /nfs/dbraw/zinc/88/42/32/830884232.db2.gz GPMLYWAUZZARIL-UPJWGTAASA-N 1 0 318.439 -0.036 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cc[nH]c(=O)c1)[NH2+]CC(=O)NCC#N ZINC001134073453 830885329 /nfs/dbraw/zinc/88/53/29/830885329.db2.gz RTQKWDCFBYPYON-MNOVXSKESA-N 1 0 319.365 -0.087 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134084161 830885898 /nfs/dbraw/zinc/88/58/98/830885898.db2.gz UJAQVSHIHPDYNF-GHMZBOCLSA-N 1 0 312.370 -0.729 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCCC ZINC001134130129 830894978 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DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181225292 833621778 /nfs/dbraw/zinc/62/17/78/833621778.db2.gz AGHADJVEWZYHSC-WCQYABFASA-N 1 0 322.409 -0.606 20 30 DBEDRO CC(C)CO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181359257 833628381 /nfs/dbraw/zinc/62/83/81/833628381.db2.gz PRCUBODCFRINLY-CHWSQXEVSA-N 1 0 310.398 -0.122 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC001181413277 833630845 /nfs/dbraw/zinc/63/08/45/833630845.db2.gz YKPGMFXYCGCVQA-LLVKDONJSA-N 1 0 305.313 -0.335 20 30 DBEDRO Cc1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)s1 ZINC001181443879 833631581 /nfs/dbraw/zinc/63/15/81/833631581.db2.gz LPRMWWOVEAMFIV-SNVBAGLBSA-N 1 0 307.379 -0.105 20 30 DBEDRO C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001181448746 833631592 /nfs/dbraw/zinc/63/15/92/833631592.db2.gz QXOITLNXTVIFFF-DVOMOZLQSA-N 1 0 309.410 -0.026 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC(=O)NCC)C1 ZINC001181579588 833636078 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20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181879033 833647391 /nfs/dbraw/zinc/64/73/91/833647391.db2.gz MFERGKHMIRJJFO-LLVKDONJSA-N 1 0 300.322 -0.670 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181879923 833647417 /nfs/dbraw/zinc/64/74/17/833647417.db2.gz XZEQOKCSUHNKMJ-SNVBAGLBSA-N 1 0 318.337 -0.854 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001181943712 833649546 /nfs/dbraw/zinc/64/95/46/833649546.db2.gz ATWIWRULUFGUIL-GFCCVEGCSA-N 1 0 305.313 -0.335 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001181944070 833649566 /nfs/dbraw/zinc/64/95/66/833649566.db2.gz HLMASGMLBGBNHA-CYBMUJFWSA-N 1 0 304.325 -0.226 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001181976767 833650044 /nfs/dbraw/zinc/65/00/44/833650044.db2.gz SHBSKTVRPUEAAT-IAQYHMDHSA-N 1 0 320.397 -0.205 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001182032044 833652294 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303.410 -0.427 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001491798377 1015627238 /nfs/dbraw/zinc/62/72/38/1015627238.db2.gz UAOLUGRDWHHKSA-XHDPSFHLSA-N 1 0 323.397 -0.626 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491800171 1015630213 /nfs/dbraw/zinc/63/02/13/1015630213.db2.gz GCLKBBFNCDNLNO-STQMWFEESA-N 1 0 306.366 -0.897 20 30 DBEDRO C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001379198080 991411244 /nfs/dbraw/zinc/41/12/44/991411244.db2.gz LPMOMEARWYFNDC-JGVFFNPUSA-N 1 0 322.159 -0.930 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001491810683 1015635374 /nfs/dbraw/zinc/63/53/74/1015635374.db2.gz NOUSJVATWDSXNZ-CYBMUJFWSA-N 1 0 317.393 -0.470 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001491810679 1015635535 /nfs/dbraw/zinc/63/55/35/1015635535.db2.gz NLPVUMXLSKCMHJ-HUUCEWRRSA-N 1 0 321.421 -0.057 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCS(=O)(=O)C1 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309.370 -0.254 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001493159908 1015859497 /nfs/dbraw/zinc/85/94/97/1015859497.db2.gz FPVBEBNSDRBKGZ-CABCVRRESA-N 1 0 320.437 -0.199 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001493184601 1015863225 /nfs/dbraw/zinc/86/32/25/1015863225.db2.gz QGFUENUXGPBGHU-RYUDHWBXSA-N 1 0 321.381 -0.474 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001493190213 1015864319 /nfs/dbraw/zinc/86/43/19/1015864319.db2.gz OUJMMJAKZXRJRD-CHWSQXEVSA-N 1 0 317.393 -0.472 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCOCC)C1 ZINC001493185863 1015864486 /nfs/dbraw/zinc/86/44/86/1015864486.db2.gz VMMPUYMBINYBLX-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001493191227 1015865904 /nfs/dbraw/zinc/86/59/04/1015865904.db2.gz VOWRMMCEMBIGKF-LBPRGKRZSA-N 1 0 313.361 -0.313 20 30 DBEDRO 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20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cn(C)cn1 ZINC001482677286 1011263304 /nfs/dbraw/zinc/26/33/04/1011263304.db2.gz RVBBLDZEGBPUFM-CHWSQXEVSA-N 1 0 317.393 -0.342 20 30 DBEDRO CC(C)(C(N)=O)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001482683417 1011263756 /nfs/dbraw/zinc/26/37/56/1011263756.db2.gz RNBWUFWEPBOBMB-MNOVXSKESA-N 1 0 323.397 -0.988 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CCOCC1 ZINC001482678442 1011264299 /nfs/dbraw/zinc/26/42/99/1011264299.db2.gz XUNZFEKDHOJKCN-HOTGVXAUSA-N 1 0 323.437 -0.157 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CC(=O)NC(C)C ZINC001482680925 1011264714 /nfs/dbraw/zinc/26/47/14/1011264714.db2.gz BAGFYUJSJRENDL-HUUCEWRRSA-N 1 0 322.453 -0.050 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC001482686530 1011267066 /nfs/dbraw/zinc/26/70/66/1011267066.db2.gz KDQONIGNZCSTDJ-NEPJUHHUSA-N 1 0 322.409 -0.571 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001482688789 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20 30 DBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001483151512 1011740139 /nfs/dbraw/zinc/74/01/39/1011740139.db2.gz KHHOQBQXLTVYRX-OAGGEKHMSA-N 1 0 323.437 -0.016 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccnc1OC ZINC001483162282 1011753163 /nfs/dbraw/zinc/75/31/63/1011753163.db2.gz BNHYWXRYBOYOLQ-LLVKDONJSA-N 1 0 304.350 -0.453 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c(C)nn(CC)c1C ZINC001483175823 1011759344 /nfs/dbraw/zinc/75/93/44/1011759344.db2.gz DQGWICVQGAEORO-LLVKDONJSA-N 1 0 319.409 -0.023 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C#C)cn1 ZINC001483186456 1011773548 /nfs/dbraw/zinc/77/35/48/1011773548.db2.gz IUPHMHATKQQYCT-OLZOCXBDSA-N 1 0 312.373 -0.091 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001483194342 1011779352 /nfs/dbraw/zinc/77/93/52/1011779352.db2.gz SRDYMLHUIZZCBQ-OLZOCXBDSA-N 1 0 318.377 -0.920 20 30 DBEDRO C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cn1cnnn1 ZINC001483207191 1011792143 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C#CCC[NH2+]CCN(CCO)C(=O)c1cccc(C(N)=O)c1 ZINC001484488106 1012715676 /nfs/dbraw/zinc/71/56/76/1012715676.db2.gz TVZWSPYWKIMDQL-UHFFFAOYSA-N 1 0 303.362 -0.167 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001484486291 1012716948 /nfs/dbraw/zinc/71/69/48/1012716948.db2.gz LMXILKWNUTXTEF-RBSFLKMASA-N 1 0 321.421 -0.418 20 30 DBEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nncn2CC1 ZINC001484488744 1012721386 /nfs/dbraw/zinc/72/13/86/1012721386.db2.gz RQMKBOFEXCDLGZ-AWEZNQCLSA-N 1 0 319.409 -0.336 20 30 DBEDRO C#CCC[NH2+]CCN(CCO)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001484489042 1012722103 /nfs/dbraw/zinc/72/21/03/1012722103.db2.gz GRPPPSRCEGPKAG-ZDUSSCGKSA-N 1 0 316.423 -0.613 20 30 DBEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1c(C)nn(C)c1C ZINC001484490286 1012722422 /nfs/dbraw/zinc/72/24/22/1012722422.db2.gz WXRKCVRGHVAWGZ-UHFFFAOYSA-N 1 0 322.409 -0.289 20 30 DBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001484492041 1012726965 /nfs/dbraw/zinc/72/69/65/1012726965.db2.gz 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ZINC001484551735 1012771444 /nfs/dbraw/zinc/77/14/44/1012771444.db2.gz OVFHSLNLQSQLJF-CYBMUJFWSA-N 1 0 315.439 -0.271 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001484570173 1012774837 /nfs/dbraw/zinc/77/48/37/1012774837.db2.gz QATCCNZKPKFYJX-HAQNSBGRSA-N 1 0 320.397 -0.015 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1COCCN1CCCOC ZINC001484595899 1012794541 /nfs/dbraw/zinc/79/45/41/1012794541.db2.gz VBHLUZFHKIDVDZ-CVEARBPZSA-N 1 0 323.437 -0.063 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)=O ZINC001484613315 1012803200 /nfs/dbraw/zinc/80/32/00/1012803200.db2.gz UTQQBQFIDCIMRH-CQSZACIVSA-N 1 0 324.425 -0.262 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001484619011 1012804591 /nfs/dbraw/zinc/80/45/91/1012804591.db2.gz OIKOXOMWUBLRMS-KGLIPLIRSA-N 1 0 322.409 -0.640 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[C@H]2OCC)CCC1 ZINC001484625188 1012805217 /nfs/dbraw/zinc/80/52/17/1012805217.db2.gz VLIBCOIBBBKGKD-QWHCGFSZSA-N 1 0 307.394 -0.211 20 30 DBEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC001484627433 1012806497 /nfs/dbraw/zinc/80/64/97/1012806497.db2.gz BCDLNSKKQTWKTC-JTQLQIEISA-N 1 0 321.381 -0.237 20 30 DBEDRO Cc1cn(C)nc1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1 ZINC001484634998 1012808238 /nfs/dbraw/zinc/80/82/38/1012808238.db2.gz RKISLFNNXAWIPF-UHFFFAOYSA-N 1 0 318.381 -0.390 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001484665753 1012813095 /nfs/dbraw/zinc/81/30/95/1012813095.db2.gz OMLWFHGMYPXSDL-TZMCWYRMSA-N 1 0 307.394 -0.259 20 30 DBEDRO Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)CSCC#N)CCO1 ZINC001484671139 1012817332 /nfs/dbraw/zinc/81/73/32/1012817332.db2.gz ORVOSMLBAZYQOP-ZDUSSCGKSA-N 1 0 323.422 -0.006 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC001484670467 1012817395 /nfs/dbraw/zinc/81/73/95/1012817395.db2.gz KARAQMKXOQUYMK-OLZOCXBDSA-N 1 0 318.377 -0.417 20 30 DBEDRO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001484671659 1012817555 /nfs/dbraw/zinc/81/75/55/1012817555.db2.gz QJNLSGDEGCQDDT-DGCLKSJQSA-N 1 0 308.382 -0.416 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001484671792 1012818212 /nfs/dbraw/zinc/81/82/12/1012818212.db2.gz UDERKRDKPUFRHK-ZDUSSCGKSA-N 1 0 321.381 -0.998 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001484673438 1012818979 /nfs/dbraw/zinc/81/89/79/1012818979.db2.gz JJWRRAKHNMRPAP-GFCCVEGCSA-N 1 0 321.381 -0.847 20 30 DBEDRO CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC001484676945 1012820678 /nfs/dbraw/zinc/82/06/78/1012820678.db2.gz GXKOVDJOHLBDEU-ZDUSSCGKSA-N 1 0 309.410 -0.059 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccn3nnnc23)CCO1 ZINC001484677042 1012821360 /nfs/dbraw/zinc/82/13/60/1012821360.db2.gz AADWERHHEAECHB-LLVKDONJSA-N 1 0 302.338 -0.259 20 30 DBEDRO CCC[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484674687 1012822091 /nfs/dbraw/zinc/82/20/91/1012822091.db2.gz DXFWPSHCDBSPLE-OLZOCXBDSA-N 1 0 310.398 -0.121 20 30 DBEDRO C=C(C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484678919 1012822686 /nfs/dbraw/zinc/82/26/86/1012822686.db2.gz SCPMTUOAOHDQIR-ZDUSSCGKSA-N 1 0 308.382 -0.201 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)CCO1 ZINC001484678899 1012822979 /nfs/dbraw/zinc/82/29/79/1012822979.db2.gz RVNWZGCIFSZPSC-ZIAGYGMSSA-N 1 0 307.394 -0.305 20 30 DBEDRO CC(C)C#CC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001484677509 1012823441 /nfs/dbraw/zinc/82/34/41/1012823441.db2.gz NDRQUSLFCSTSRP-AWEZNQCLSA-N 1 0 322.409 -0.512 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC001484682028 1012825312 /nfs/dbraw/zinc/82/53/12/1012825312.db2.gz GMALJKCZQSSXIS-CHWSQXEVSA-N 1 0 316.423 -0.186 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2CCCCC2=O)CCO1 ZINC001484682470 1012827954 /nfs/dbraw/zinc/82/79/54/1012827954.db2.gz OZRQUWPQOGJIEE-AWEZNQCLSA-N 1 0 307.394 -0.161 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001484691334 1012831295 /nfs/dbraw/zinc/83/12/95/1012831295.db2.gz NWASNBBDMSHQDT-KGLIPLIRSA-N 1 0 323.393 -0.878 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001484691337 1012831716 /nfs/dbraw/zinc/83/17/16/1012831716.db2.gz NWASNBBDMSHQDT-ZIAGYGMSSA-N 1 0 323.393 -0.878 20 30 DBEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CCO1 ZINC001484693364 1012832546 /nfs/dbraw/zinc/83/25/46/1012832546.db2.gz GUSCIUAVCCBFSY-GFCCVEGCSA-N 1 0 324.381 -0.679 20 30 DBEDRO Cc1conc1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484693022 1012832623 /nfs/dbraw/zinc/83/26/23/1012832623.db2.gz ARMHIFGGMOBWQT-LLVKDONJSA-N 1 0 321.337 -0.947 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)CCO1 ZINC001484692094 1012833084 /nfs/dbraw/zinc/83/30/84/1012833084.db2.gz YAVYQHVKVZLWIO-GFCCVEGCSA-N 1 0 306.366 -0.120 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2c3c(nn2C)CCC3)CCO1 ZINC001484694541 1012833620 /nfs/dbraw/zinc/83/36/20/1012833620.db2.gz VANDTJQOMDAKGB-LBPRGKRZSA-N 1 0 302.378 -0.027 20 30 DBEDRO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C2)nc1 ZINC001484697267 1012834592 /nfs/dbraw/zinc/83/45/92/1012834592.db2.gz SZFTUWNIPTVKEI-YPMHNXCESA-N 1 0 316.361 -0.633 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO1 ZINC001484699535 1012835162 /nfs/dbraw/zinc/83/51/62/1012835162.db2.gz DLKNVHBEWSLRDB-OLZOCXBDSA-N 1 0 314.407 -0.596 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 ZINC001484696458 1012835477 /nfs/dbraw/zinc/83/54/77/1012835477.db2.gz FHYFNCWWUGGTAV-GFCCVEGCSA-N 1 0 319.427 -0.729 20 30 DBEDRO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C2)nc1 ZINC001484697254 1012835571 /nfs/dbraw/zinc/83/55/71/1012835571.db2.gz SZFTUWNIPTVKEI-AAEUAGOBSA-N 1 0 316.361 -0.633 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)CCO1 ZINC001484700095 1012837080 /nfs/dbraw/zinc/83/70/80/1012837080.db2.gz JIYWQSICTSEEHZ-UONOGXRCSA-N 1 0 317.393 -0.319 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)CCO1 ZINC001484700096 1012837551 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C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)/C(C)=C/C ZINC001496967479 1017142910 /nfs/dbraw/zinc/14/29/10/1017142910.db2.gz WBOWVEZDVFALCY-UAWPZABVSA-N 1 0 312.370 -0.969 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)/C(C)=C\C ZINC001496967477 1017142998 /nfs/dbraw/zinc/14/29/98/1017142998.db2.gz WBOWVEZDVFALCY-GULOHRGCSA-N 1 0 312.370 -0.969 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001496975645 1017153075 /nfs/dbraw/zinc/15/30/75/1017153075.db2.gz IUQLWIAAWAUYGQ-RYUDHWBXSA-N 1 0 321.381 -0.844 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001496980980 1017164734 /nfs/dbraw/zinc/16/47/34/1017164734.db2.gz GZYQKGDRSMARBF-NXEZZACHSA-N 1 0 317.336 -0.764 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001497009551 1017191168 /nfs/dbraw/zinc/19/11/68/1017191168.db2.gz HPVLAEDSKALFCA-ZFWWWQNUSA-N 1 0 320.393 -0.838 20 30 DBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001497009463 1017191453 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C=CC[NH2+]C/C=C\CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001497734048 1017482883 /nfs/dbraw/zinc/48/28/83/1017482883.db2.gz CZFYFMLZSQQOSV-ZFDPJTLLSA-N 1 0 301.412 -0.094 20 30 DBEDRO C=CC[NH2+]C/C=C\CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001497734045 1017482908 /nfs/dbraw/zinc/48/29/08/1017482908.db2.gz CZFYFMLZSQQOSV-DSYXLKISSA-N 1 0 301.412 -0.094 20 30 DBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)c1cc(C(N)=O)ccn1 ZINC001497774059 1017491703 /nfs/dbraw/zinc/49/17/03/1017491703.db2.gz IAVQJVUFCUYERA-NSCUHMNNSA-N 1 0 316.361 -0.294 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001497812853 1017507785 /nfs/dbraw/zinc/50/77/85/1017507785.db2.gz VZNJESMQAMGXEE-GHMZBOCLSA-N 1 0 306.370 -0.856 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001497826827 1017514596 /nfs/dbraw/zinc/51/45/96/1017514596.db2.gz JLQCQQCMWBGHEG-SECBINFHSA-N 1 0 317.353 -0.637 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001497829779 1017516351 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DBEDRO C=CCn1cc(C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)nn1 ZINC001497934085 1017550294 /nfs/dbraw/zinc/55/02/94/1017550294.db2.gz PSSWCUMPUCNBKR-MNOVXSKESA-N 1 0 308.386 -0.351 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nocc1C ZINC001497956623 1017557366 /nfs/dbraw/zinc/55/73/66/1017557366.db2.gz ZQVYTBOWUMEDRI-SNVBAGLBSA-N 1 0 323.353 -0.297 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncccc1OC ZINC001497971227 1017561205 /nfs/dbraw/zinc/56/12/05/1017561205.db2.gz NWZSYZCSFJXOLQ-NEPJUHHUSA-N 1 0 318.377 -0.064 20 30 DBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001497992188 1017566057 /nfs/dbraw/zinc/56/60/57/1017566057.db2.gz BWMDEFYMWFQIOC-LLVKDONJSA-N 1 0 308.386 -0.350 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001498062364 1017598555 /nfs/dbraw/zinc/59/85/55/1017598555.db2.gz GIFNEKZFVTUYQX-STQMWFEESA-N 1 0 317.393 -0.711 20 30 DBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001498069343 1017603025 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-0.325 20 30 DBEDRO CC(C)C#CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001511551261 1021088971 /nfs/dbraw/zinc/08/89/71/1021088971.db2.gz COPDNRVSFMMTPY-QLFBSQMISA-N 1 0 323.437 -0.079 20 30 DBEDRO C#CCNC(=O)CC[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC001588354038 1021091639 /nfs/dbraw/zinc/09/16/39/1021091639.db2.gz DTFHXYPKYWBIJC-UHFFFAOYSA-N 1 0 314.349 -0.025 20 30 DBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001588349173 1021093383 /nfs/dbraw/zinc/09/33/83/1021093383.db2.gz GIMXQSRHVOQIBM-LLVKDONJSA-N 1 0 317.353 -0.807 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 ZINC001588663637 1021123528 /nfs/dbraw/zinc/12/35/28/1021123528.db2.gz OFEAVGCVCNDHNN-LLVKDONJSA-N 1 0 317.353 -0.189 20 30 DBEDRO C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001512990588 1021318402 /nfs/dbraw/zinc/31/84/02/1021318402.db2.gz GRTUDMPQJLJGHI-HUUCEWRRSA-N 1 0 321.421 -0.180 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001589849741 1021323441 /nfs/dbraw/zinc/32/34/41/1021323441.db2.gz LNLJQQAOUWLHMW-BDAKNGLRSA-N 1 0 300.326 -0.240 20 30 DBEDRO C#CCCCC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001513497979 1021377607 /nfs/dbraw/zinc/37/76/07/1021377607.db2.gz INYPYWFJFSPPMU-KGLIPLIRSA-N 1 0 321.421 -0.180 20 30 DBEDRO CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1O ZINC001513520197 1021387313 /nfs/dbraw/zinc/38/73/13/1021387313.db2.gz ANNBWHNERJHPAV-KGLIPLIRSA-N 1 0 309.410 -0.325 20 30 DBEDRO C#CC1(O)CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001519902175 1021576015 /nfs/dbraw/zinc/57/60/15/1021576015.db2.gz HXJXJDZDUNTHAI-UONOGXRCSA-N 1 0 308.426 -0.210 20 30 DBEDRO CCO[C@H](CNc1cnc(-c2nn[nH]n2)c(C#N)n1)C[NH+](C)C ZINC001590786232 1021581457 /nfs/dbraw/zinc/58/14/57/1021581457.db2.gz WDCKPEWYKKYLJD-SECBINFHSA-N 1 0 317.357 -0.093 20 30 DBEDRO C[NH+](C)CC#CCNC(=O)Nc1ccc(-c2nn[nH]n2)cn1 ZINC001591012610 1021630835 /nfs/dbraw/zinc/63/08/35/1021630835.db2.gz YNXHFERIFAGLDP-UHFFFAOYSA-N 1 0 300.326 -0.052 20 30 DBEDRO C[C@@H](C#N)C(=O)N1CCO[C@@](C)(CNC(=O)Cc2c[nH]cn2)C1 ZINC001522092457 1021687024 /nfs/dbraw/zinc/68/70/24/1021687024.db2.gz DFZUIYNHQKVNLP-NHYWBVRUSA-N 1 0 319.365 -0.154 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H](C)COC ZINC001522858086 1021887517 /nfs/dbraw/zinc/88/75/17/1021887517.db2.gz VPTJOTZTUHCQBM-KBPBESRZSA-N 1 0 309.410 -0.011 20 30 DBEDRO N#C[C@@]12CN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)C[C@@H]1CS(=O)(=O)C2 ZINC001523147040 1022006231 /nfs/dbraw/zinc/00/62/31/1022006231.db2.gz CVOGYUIOSYXPGR-HZTOJCHISA-N 1 0 323.418 -0.061 20 30 DBEDRO N#C[C@@]12CN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)C[C@@H]1CS(=O)(=O)C2 ZINC001523147038 1022006807 /nfs/dbraw/zinc/00/68/07/1022006807.db2.gz CVOGYUIOSYXPGR-GKTSYKONSA-N 1 0 323.418 -0.061 20 30 DBEDRO N#C[C@]12CN(C(=O)CC[NH2+]CC3CC3)C[C@@H]1CS(=O)(=O)C2 ZINC001523308256 1022037831 /nfs/dbraw/zinc/03/78/31/1022037831.db2.gz LWPNPDCBABPGGT-TZMCWYRMSA-N 1 0 311.407 -0.227 20 30 DBEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001524167829 1022206507 /nfs/dbraw/zinc/20/65/07/1022206507.db2.gz WTUJOMRPEDJZDH-ZIAGYGMSSA-N 1 0 307.394 -0.162 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001524680119 1022334041 /nfs/dbraw/zinc/33/40/41/1022334041.db2.gz OUHQCDASPVOWGA-ZDUSSCGKSA-N 1 0 322.409 -0.817 20 30 DBEDRO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC001526179950 1022459118 /nfs/dbraw/zinc/45/91/18/1022459118.db2.gz IVXZSLACLRDVFQ-QMIVOQANSA-N 1 0 321.421 -0.062 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001526265720 1022475117 /nfs/dbraw/zinc/47/51/17/1022475117.db2.gz IAILTBMWKCVDEP-OJDYBEQGSA-N 1 0 309.410 -0.162 20 30 DBEDRO COC(=O)CCN1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001565496389 1024057455 /nfs/dbraw/zinc/05/74/55/1024057455.db2.gz HPYPSPCEUFYCAL-CQSZACIVSA-N 1 0 324.425 -0.170 20 30 DBEDRO O=C(NCCNC(=O)C12CC[NH+](CC1)C2)C1N=CC=CC1=O ZINC001565629936 1024064958 /nfs/dbraw/zinc/06/49/58/1024064958.db2.gz NARCEYDFHTZFHJ-SEYXRHQNSA-N 1 0 304.350 -0.275 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001565828116 1024073973 /nfs/dbraw/zinc/07/39/73/1024073973.db2.gz JYTIEKSACRWREJ-NWDGAFQWSA-N 1 0 301.412 -0.520 20 30 DBEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCCO)C2)c[nH]1 ZINC001565840561 1024075076 /nfs/dbraw/zinc/07/50/76/1024075076.db2.gz BSXRMFNQAVFNJG-BJHJDKERSA-N 1 0 306.366 -0.007 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001565841058 1024076327 /nfs/dbraw/zinc/07/63/27/1024076327.db2.gz SQTDCZROQSEGCS-NFAWXSAZSA-N 1 0 319.405 -0.045 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001565837414 1024076821 /nfs/dbraw/zinc/07/68/21/1024076821.db2.gz FAARGFPCWRUEMQ-AUZPSNTRSA-N 1 0 324.425 -0.314 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001565838461 1024078601 /nfs/dbraw/zinc/07/86/01/1024078601.db2.gz MMOGGTPYJMFTBL-WUHRBBMRSA-N 1 0 322.409 -0.560 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001565863992 1024083009 /nfs/dbraw/zinc/08/30/09/1024083009.db2.gz DLVITXLVZJLYJK-CYDGBPFRSA-N 1 0 321.377 -0.686 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001565874221 1024087434 /nfs/dbraw/zinc/08/74/34/1024087434.db2.gz WNWGYBJTCCVLHA-IJLUTSLNSA-N 1 0 320.397 -0.396 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001565874706 1024088206 /nfs/dbraw/zinc/08/82/06/1024088206.db2.gz UPYMNDQZJXEQJU-KKOKHZNYSA-N 1 0 324.381 -0.743 20 30 DBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001565868470 1024088474 /nfs/dbraw/zinc/08/84/74/1024088474.db2.gz GVZATWUIEIDHAE-HDJSIYSDSA-N 1 0 308.426 -0.440 20 30 DBEDRO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001565910428 1024089665 /nfs/dbraw/zinc/08/96/65/1024089665.db2.gz SKKOSHKFZVHJCS-MJBXVCDLSA-N 1 0 324.425 -0.183 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001565894895 1024089726 /nfs/dbraw/zinc/08/97/26/1024089726.db2.gz XOOCDXKHVRGRBZ-HZSPNIEDSA-N 1 0 320.393 -0.461 20 30 DBEDRO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001565918822 1024089974 /nfs/dbraw/zinc/08/99/74/1024089974.db2.gz VOTMZCUTBMPCCN-NWDGAFQWSA-N 1 0 303.428 -0.014 20 30 DBEDRO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001565900534 1024090605 /nfs/dbraw/zinc/09/06/05/1024090605.db2.gz PDKJBSMMSRPHBQ-LSDHHAIUSA-N 1 0 320.437 -0.342 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001565894045 1024091374 /nfs/dbraw/zinc/09/13/74/1024091374.db2.gz QIWDUDDJCYAEOP-NWDGAFQWSA-N 1 0 318.381 -0.947 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1OCC ZINC001565949422 1024093088 /nfs/dbraw/zinc/09/30/88/1024093088.db2.gz CXTNTQBGWIAAMK-RBSFLKMASA-N 1 0 321.421 -0.011 20 30 DBEDRO C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001565990360 1024097040 /nfs/dbraw/zinc/09/70/40/1024097040.db2.gz LCOAIKPIAXTYSB-SNVBAGLBSA-N 1 0 319.365 -0.448 20 30 DBEDRO C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CNS(=O)(=O)NC ZINC001565970059 1024098533 /nfs/dbraw/zinc/09/85/33/1024098533.db2.gz ROTLSDUIDJREIU-NEPJUHHUSA-N 1 0 318.443 -0.557 20 30 DBEDRO CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001565991950 1024103710 /nfs/dbraw/zinc/10/37/10/1024103710.db2.gz ZNSWEWGYTYDWOF-JYAVWHMHSA-N 1 0 316.361 -0.196 20 30 DBEDRO CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001566034070 1024107018 /nfs/dbraw/zinc/10/70/18/1024107018.db2.gz JBEUJUXBWUNYIA-CYBMUJFWSA-N 1 0 307.394 -0.440 20 30 DBEDRO C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001566033248 1024107844 /nfs/dbraw/zinc/10/78/44/1024107844.db2.gz QHBPFJWMNPCFBQ-UONOGXRCSA-N 1 0 309.410 -0.016 20 30 DBEDRO C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001566034542 1024112203 /nfs/dbraw/zinc/11/22/03/1024112203.db2.gz SUGLCXVTOAKQOQ-KBPBESRZSA-N 1 0 309.410 -0.064 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001566072684 1024121836 /nfs/dbraw/zinc/12/18/36/1024121836.db2.gz YFOAFKLMCMXWDY-RYUDHWBXSA-N 1 0 310.398 -0.477 20 30 DBEDRO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001566121817 1024135012 /nfs/dbraw/zinc/13/50/12/1024135012.db2.gz XTGBBYQFIKBCMH-AWEZNQCLSA-N 1 0 308.426 -0.083 20 30 DBEDRO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CC(=O)NCC#N ZINC001566113791 1024139964 /nfs/dbraw/zinc/13/99/64/1024139964.db2.gz INTRJFQNMKGWEM-AGIUHOORSA-N 1 0 307.398 -0.843 20 30 DBEDRO C=CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)C2CC2)CC1 ZINC001566132981 1024142414 /nfs/dbraw/zinc/14/24/14/1024142414.db2.gz UEBFLLUFBGHGDK-UHFFFAOYSA-N 1 0 309.410 -0.016 20 30 DBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)c1ccnc(C)n1 ZINC001566517941 1024223019 /nfs/dbraw/zinc/22/30/19/1024223019.db2.gz WSSWECLTAGMJEI-LBPRGKRZSA-N 1 0 317.393 -0.025 20 30 DBEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cc1cncn1C ZINC001566508876 1024223605 /nfs/dbraw/zinc/22/36/05/1024223605.db2.gz SYNQIDCHWOZBEB-ZDUSSCGKSA-N 1 0 319.409 -0.461 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001566534105 1024235205 /nfs/dbraw/zinc/23/52/05/1024235205.db2.gz RMCSEVYIIQZEJL-STQMWFEESA-N 1 0 320.397 -0.167 20 30 DBEDRO C#CCNC(=O)C[N@H+](CC)CCCNC(=O)c1ccnnc1 ZINC001566566218 1024258668 /nfs/dbraw/zinc/25/86/68/1024258668.db2.gz UHZXCTSJFHCULE-UHFFFAOYSA-N 1 0 303.366 -0.332 20 30 DBEDRO CC[N@H+](CCCNC(=O)c1ccnc(C)n1)CC(=O)NCC#N ZINC001566576664 1024259207 /nfs/dbraw/zinc/25/92/07/1024259207.db2.gz WVXKJKKHHLJVHA-UHFFFAOYSA-N 1 0 318.381 -0.133 20 30 DBEDRO CN(C(=O)CCC[NH+](C)C)C1CCN(CC(=O)NCC#N)CC1 ZINC001566611901 1024274967 /nfs/dbraw/zinc/27/49/67/1024274967.db2.gz SKLYUICCVRQCKO-UHFFFAOYSA-N 1 0 323.441 -0.109 20 30 DBEDRO COCC#CC[NH+]1CCC(N(C)C(=O)Cc2nnc[nH]2)CC1 ZINC001566612918 1024277226 /nfs/dbraw/zinc/27/72/26/1024277226.db2.gz 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WTFLSRKXAWIBDD-UHFFFAOYSA-N 1 0 316.369 -0.231 20 30 DBEDRO C=CCC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001105230509 827410832 /nfs/dbraw/zinc/41/08/32/827410832.db2.gz JYPYQGQFOMYKDS-UHFFFAOYSA-N 1 0 316.369 -0.231 20 30 DBEDRO C[NH+](C)C1(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)CCC1 ZINC001105259814 827415297 /nfs/dbraw/zinc/41/52/97/827415297.db2.gz NEOMCJWIORLFCM-UHFFFAOYSA-N 1 0 317.397 -0.241 20 30 DBEDRO C[NH+](C)[C@@H](C(=O)N1CC(n2cc(CNCC#N)nn2)C1)C1CC1 ZINC001105259672 827416060 /nfs/dbraw/zinc/41/60/60/827416060.db2.gz HXDHVYFFEUKSTK-CQSZACIVSA-N 1 0 317.397 -0.385 20 30 DBEDRO C#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105271042 827416697 /nfs/dbraw/zinc/41/66/97/827416697.db2.gz VELAIIBBIQQSEO-HNNXBMFYSA-N 1 0 316.409 -0.132 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CC(=O)NCC)CC1 ZINC001164182461 833195053 /nfs/dbraw/zinc/19/50/53/833195053.db2.gz KBYPLSWRIMELES-UHFFFAOYSA-N 1 0 324.425 -0.309 20 30 DBEDRO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 ZINC001105312094 827424022 /nfs/dbraw/zinc/42/40/22/827424022.db2.gz BNANJZSJUTVADW-OAHLLOKOSA-N 1 0 321.356 -0.097 20 30 DBEDRO C=CCCCCC[NH2+]Cc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105315250 827425420 /nfs/dbraw/zinc/42/54/20/827425420.db2.gz DDNZUKMPZPPBAH-UHFFFAOYSA-N 1 0 320.397 -0.017 20 30 DBEDRO COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2COCCN2C)CC1 ZINC001164186120 833195952 /nfs/dbraw/zinc/19/59/52/833195952.db2.gz ILIZTTWQKAIKFC-OAHLLOKOSA-N 1 0 323.437 -0.157 20 30 DBEDRO C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 ZINC001105328762 827428400 /nfs/dbraw/zinc/42/84/00/827428400.db2.gz USXVUBHUFVXZOV-OLZOCXBDSA-N 1 0 318.381 -0.552 20 30 DBEDRO CN(c1ncc(Br)nc1C#N)S(=O)(=O)CC[NH3+] ZINC001164296923 833203320 /nfs/dbraw/zinc/20/33/20/833203320.db2.gz SLJWACNZUXRVNF-UHFFFAOYSA-N 1 0 320.172 -0.165 20 30 DBEDRO C=CCC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001105343903 827432650 /nfs/dbraw/zinc/43/26/50/827432650.db2.gz BQEMYYZPPZVIID-UHFFFAOYSA-N 1 0 316.369 -0.231 20 30 DBEDRO 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccncc1C ZINC001127378965 830006396 /nfs/dbraw/zinc/00/63/96/830006396.db2.gz FKCKXAQZQNBXIJ-CYBMUJFWSA-N 1 0 302.378 -0.224 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccncc1C ZINC001127378966 830006416 /nfs/dbraw/zinc/00/64/16/830006416.db2.gz FKCKXAQZQNBXIJ-ZDUSSCGKSA-N 1 0 302.378 -0.224 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C2CCC2)nn1 ZINC001127499007 830015304 /nfs/dbraw/zinc/01/53/04/830015304.db2.gz WXHTZRHTESBIMM-UHFFFAOYSA-N 1 0 306.370 -0.375 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)c1ccnn1C ZINC001127588540 830020232 /nfs/dbraw/zinc/02/02/32/830020232.db2.gz DVRVDHNGAFWZTK-NEPJUHHUSA-N 1 0 307.398 -0.080 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NC(=O)CC)C1=O ZINC001127945915 830041695 /nfs/dbraw/zinc/04/16/95/830041695.db2.gz CUQQTBZTURVGAL-VXGBXAGGSA-N 1 0 310.398 -0.606 20 30 DBEDRO COCC(=O)N[C@H](C)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001127972709 830047530 /nfs/dbraw/zinc/04/75/30/830047530.db2.gz 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BTSKVYJJCNJTDW-UHFFFAOYSA-N 1 0 313.308 -0.724 20 30 DBEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129037890 830150192 /nfs/dbraw/zinc/15/01/92/830150192.db2.gz DXTMSHDKNVBFST-NEPJUHHUSA-N 1 0 321.385 -0.875 20 30 DBEDRO C=C(C)CN1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129038042 830150318 /nfs/dbraw/zinc/15/03/18/830150318.db2.gz MBAFENWWFVXPHV-NEPJUHHUSA-N 1 0 321.385 -0.875 20 30 DBEDRO C[N@H+](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)C1CCC1 ZINC001129053526 830150827 /nfs/dbraw/zinc/15/08/27/830150827.db2.gz ZYFRHWKDLVMNSV-KGLIPLIRSA-N 1 0 317.397 -0.373 20 30 DBEDRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129060155 830151199 /nfs/dbraw/zinc/15/11/99/830151199.db2.gz NAYTXEQMKXBPCL-RDBSUJKOSA-N 1 0 319.413 -0.271 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCc1ncc(C)o1 ZINC001129098218 830153345 /nfs/dbraw/zinc/15/33/45/830153345.db2.gz BHWZJPUTTZIDMH-UHFFFAOYSA-N 1 0 306.366 -0.239 20 30 DBEDRO C#CCC1(C(=O)NCC[NH2+]CCn2cncn2)CCOCC1 ZINC001129120874 830154514 /nfs/dbraw/zinc/15/45/14/830154514.db2.gz IKNMJUZMMQZBFA-UHFFFAOYSA-N 1 0 305.382 -0.196 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCCn2ccnn2)C1=O ZINC001129172742 830157279 /nfs/dbraw/zinc/15/72/79/830157279.db2.gz UOLJRDQOAXLYSV-CYBMUJFWSA-N 1 0 320.397 -0.449 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C2CC2)cnn1C ZINC001129191201 830158272 /nfs/dbraw/zinc/15/82/72/830158272.db2.gz GCPCDDCRUDNQEF-LLVKDONJSA-N 1 0 317.393 -0.245 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc2c([nH]1)CCOC2 ZINC001129234857 830162209 /nfs/dbraw/zinc/16/22/09/830162209.db2.gz FZBLELYPOUPZRA-UHFFFAOYSA-N 1 0 306.366 -0.291 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccnc2ccnn21 ZINC001129240231 830162583 /nfs/dbraw/zinc/16/25/83/830162583.db2.gz LKFGTCBOMRQYAI-UHFFFAOYSA-N 1 0 302.338 -0.649 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C2CC2)no1 ZINC001129250585 830163645 /nfs/dbraw/zinc/16/36/45/830163645.db2.gz VJZJYXUABULUNZ-UHFFFAOYSA-N 1 0 305.338 -0.560 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)nnn1CC ZINC001129274661 830165993 /nfs/dbraw/zinc/16/59/93/830165993.db2.gz KQXTVJLMUWIUED-LLVKDONJSA-N 1 0 308.386 -0.383 20 30 DBEDRO C#CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397242 830177625 /nfs/dbraw/zinc/17/76/25/830177625.db2.gz RMCXLAUUXMVBFE-CABCVRRESA-N 1 0 318.425 -0.015 20 30 DBEDRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001129396835 830178051 /nfs/dbraw/zinc/17/80/51/830178051.db2.gz NQUPYNCBYKVIQO-KGLIPLIRSA-N 1 0 319.413 -0.125 20 30 DBEDRO CC#CCN1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406983 830179333 /nfs/dbraw/zinc/17/93/33/830179333.db2.gz DTRCEBNERBXKNS-CABCVRRESA-N 1 0 318.425 -0.015 20 30 DBEDRO C=CCn1cccc1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001129517094 830186008 /nfs/dbraw/zinc/18/60/08/830186008.db2.gz CXZLKAXTSQAIIF-SNVBAGLBSA-N 1 0 307.354 -0.423 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCO2 ZINC001129546460 830189268 /nfs/dbraw/zinc/18/92/68/830189268.db2.gz JGJLLYVCQCURJQ-JTQLQIEISA-N 1 0 307.354 -0.714 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)CSC)C[C@@H]1n1ccnn1 ZINC001129547577 830189623 /nfs/dbraw/zinc/18/96/23/830189623.db2.gz GAYTYBYJPFQNHB-OLZOCXBDSA-N 1 0 323.422 -0.368 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129556036 830191256 /nfs/dbraw/zinc/19/12/56/830191256.db2.gz FQMFUQUSASSTEA-KGLIPLIRSA-N 1 0 313.365 -0.310 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129570306 830192053 /nfs/dbraw/zinc/19/20/53/830192053.db2.gz RIFXBKKPDXKYQD-NSHDSACASA-N 1 0 316.365 -0.261 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)nc1C(F)F ZINC001129606471 830195730 /nfs/dbraw/zinc/19/57/30/830195730.db2.gz GJFAVVMTHDXNHT-UHFFFAOYSA-N 1 0 313.308 -0.574 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn2ncccc12 ZINC001129606228 830195934 /nfs/dbraw/zinc/19/59/34/830195934.db2.gz DTTIYTCMXPVDMY-LLVKDONJSA-N 1 0 316.365 -0.261 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 ZINC001129608038 830196849 /nfs/dbraw/zinc/19/68/49/830196849.db2.gz ILSBOVKGAAZCSH-NEPJUHHUSA-N 1 0 317.378 -0.192 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129656836 830200027 /nfs/dbraw/zinc/20/00/27/830200027.db2.gz VOSXVUXHDZYRHZ-OCCSQVGLSA-N 1 0 313.365 -0.310 20 30 DBEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CCOCCO)[C@@H](n2ccnn2)C1 ZINC001129667229 830200469 /nfs/dbraw/zinc/20/04/69/830200469.db2.gz RVIKWODMFDQLDU-KGLIPLIRSA-N 1 0 323.397 -0.405 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCC(=O)NCC)C[C@@H]1n1ccnn1 ZINC001129695918 830202291 /nfs/dbraw/zinc/20/22/91/830202291.db2.gz JMOXTWYSQGQWPW-OLZOCXBDSA-N 1 0 318.381 -0.831 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncc(COC)c1 ZINC001129759124 830206810 /nfs/dbraw/zinc/20/68/10/830206810.db2.gz ADZSVHIQIWDUEM-LBPRGKRZSA-N 1 0 318.377 -0.315 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001129770586 830207728 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/nfs/dbraw/zinc/76/64/76/830766476.db2.gz VNQOVHFECRUZLI-RYUDHWBXSA-N 1 0 318.377 -0.193 20 30 DBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133378397 830772971 /nfs/dbraw/zinc/77/29/71/830772971.db2.gz DZGFXUKFWHCOGA-OAHLLOKOSA-N 1 0 310.398 -0.747 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473325 830778666 /nfs/dbraw/zinc/77/86/66/830778666.db2.gz IAVHDGQHSSLGHR-NHYWBVRUSA-N 1 0 308.382 -0.852 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1=COCCO1 ZINC001133583036 830790355 /nfs/dbraw/zinc/79/03/55/830790355.db2.gz YSXMFLXNBYSCSP-NEPJUHHUSA-N 1 0 309.366 -0.503 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]n1)[NH2+]CC(=O)NCC#N ZINC001133610604 830791877 /nfs/dbraw/zinc/79/18/77/830791877.db2.gz HNECYIADUHKIPL-ZJUUUORDSA-N 1 0 320.353 -0.692 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610603 830792203 /nfs/dbraw/zinc/79/22/03/830792203.db2.gz HNECYIADUHKIPL-VHSXEESVSA-N 1 0 320.353 -0.692 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617930 830794054 /nfs/dbraw/zinc/79/40/54/830794054.db2.gz DDGUCNISBDYFRH-VIFPVBQESA-N 1 0 315.399 -0.269 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCCC1=O ZINC001133633158 830799706 /nfs/dbraw/zinc/79/97/06/830799706.db2.gz OMMJIZGHOSGOGC-OLZOCXBDSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133646611 830802271 /nfs/dbraw/zinc/80/22/71/830802271.db2.gz TZDSWPAEWOMYIJ-LLVKDONJSA-N 1 0 306.366 -0.605 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133705332 830812162 /nfs/dbraw/zinc/81/21/62/830812162.db2.gz XLFOYUUNKGZZRE-VIFPVBQESA-N 1 0 308.338 -0.611 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cccn1 ZINC001133726763 830813690 /nfs/dbraw/zinc/81/36/90/830813690.db2.gz OLKGLOVZNBFAKF-CHWSQXEVSA-N 1 0 320.397 -0.214 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cccn1 ZINC001133726246 830814184 /nfs/dbraw/zinc/81/41/84/830814184.db2.gz GBKUHJFLKKEHIN-ZIAGYGMSSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(CC)c1CC ZINC001133763311 830820049 /nfs/dbraw/zinc/82/00/49/830820049.db2.gz QOLKOPUWJISMMB-LLVKDONJSA-N 1 0 320.397 -0.682 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772814 830822678 /nfs/dbraw/zinc/82/26/78/830822678.db2.gz CJXDQYDEQUQVOO-RYUDHWBXSA-N 1 0 322.409 -0.865 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnsn1 ZINC001133784106 830824930 /nfs/dbraw/zinc/82/49/30/830824930.db2.gz FSYHHXDAHRQAMQ-ZJUUUORDSA-N 1 0 309.395 -0.226 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001133799409 830828841 /nfs/dbraw/zinc/82/88/41/830828841.db2.gz SVDJEYJLCUBUHY-RKDXNWHRSA-N 1 0 310.383 -0.336 20 30 DBEDRO Cc1cnn(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC001133843984 830836082 /nfs/dbraw/zinc/83/60/82/830836082.db2.gz LNBYIHSVEFHMHE-QWHCGFSZSA-N 1 0 320.397 -0.296 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CCC ZINC001133839420 830836936 /nfs/dbraw/zinc/83/69/36/830836936.db2.gz GKVPLADJRWFERK-STQMWFEESA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001133865266 830841121 /nfs/dbraw/zinc/84/11/21/830841121.db2.gz BPODUBDOIBRWHP-CYBMUJFWSA-N 1 0 317.393 -0.791 20 30 DBEDRO Cc1ncc2n1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C2 ZINC001133869975 830845422 /nfs/dbraw/zinc/84/54/22/830845422.db2.gz PELIPFOJFMRIGY-GFCCVEGCSA-N 1 0 318.381 -0.901 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133877491 830847454 /nfs/dbraw/zinc/84/74/54/830847454.db2.gz ZSYOYHALVPKMNO-LBPRGKRZSA-N 1 0 301.350 -0.858 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001133877483 830848170 /nfs/dbraw/zinc/84/81/70/830848170.db2.gz ZOBCHKYOGCOIET-CYBMUJFWSA-N 1 0 300.362 -0.748 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133881041 830849485 /nfs/dbraw/zinc/84/94/85/830849485.db2.gz YQBHEBMNIXQVKN-OCCSQVGLSA-N 1 0 314.389 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC(=O)NCC ZINC001133904040 830852298 /nfs/dbraw/zinc/85/22/98/830852298.db2.gz BFZUWLBCLXVUQG-QWHCGFSZSA-N 1 0 324.425 -0.475 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133913741 830853897 /nfs/dbraw/zinc/85/38/97/830853897.db2.gz WAFAGVJPANYUSG-NWDGAFQWSA-N 1 0 321.443 -0.389 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1=O ZINC001133922574 830856865 /nfs/dbraw/zinc/85/68/65/830856865.db2.gz XAXXJOOUNIRYJX-XQQFMLRXSA-N 1 0 322.409 -0.797 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCCOC ZINC001133926224 830858844 /nfs/dbraw/zinc/85/88/44/830858844.db2.gz FKDCWZOKELXPKF-QWHCGFSZSA-N 1 0 313.398 -0.728 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)nc1C ZINC001133937042 830860531 /nfs/dbraw/zinc/86/05/31/830860531.db2.gz UISCFHAKKFWJLB-RYUDHWBXSA-N 1 0 319.409 -0.036 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133944053 830861762 /nfs/dbraw/zinc/86/17/62/830861762.db2.gz ZSQZEQVJEJSMDS-NEPJUHHUSA-N 1 0 310.398 -0.762 20 30 DBEDRO COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943267 830862481 /nfs/dbraw/zinc/86/24/81/830862481.db2.gz LXOZYLPYDBHDOR-OLZOCXBDSA-N 1 0 316.361 -0.106 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951102 830863839 /nfs/dbraw/zinc/86/38/39/830863839.db2.gz PKAATRJCWATHSM-NSHDSACASA-N 1 0 308.386 -0.856 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001133954436 830864455 /nfs/dbraw/zinc/86/44/55/830864455.db2.gz QJKMJSZYIMPVIM-GHMZBOCLSA-N 1 0 318.381 -0.705 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1N ZINC001133953379 830864490 /nfs/dbraw/zinc/86/44/90/830864490.db2.gz IFAPMUXDTSZGCD-VHSXEESVSA-N 1 0 319.369 -0.815 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O ZINC001133955923 830865995 /nfs/dbraw/zinc/86/59/95/830865995.db2.gz FWAOGZCPRHSYGC-GFCCVEGCSA-N 1 0 319.365 -0.780 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001133969605 830867906 /nfs/dbraw/zinc/86/79/06/830867906.db2.gz NEULFELZFGLAPW-NEPJUHHUSA-N 1 0 312.414 -0.312 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccon1 ZINC001133990278 830870878 /nfs/dbraw/zinc/87/08/78/830870878.db2.gz RKKWRQHAEDTSNS-WDEREUQCSA-N 1 0 307.354 -0.270 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccon1 ZINC001133990277 830870913 /nfs/dbraw/zinc/87/09/13/830870913.db2.gz RKKWRQHAEDTSNS-QWRGUYRKSA-N 1 0 307.354 -0.270 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001133995185 830871735 /nfs/dbraw/zinc/87/17/35/830871735.db2.gz XPACEKOVQHSDRX-MNOVXSKESA-N 1 0 322.413 -0.088 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001134014215 830875344 /nfs/dbraw/zinc/87/53/44/830875344.db2.gz NZFDARXHOBBHDC-BDAKNGLRSA-N 1 0 320.353 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134041384 830883118 /nfs/dbraw/zinc/88/31/18/830883118.db2.gz FYARMEUUGBGLRS-VXGBXAGGSA-N 1 0 320.397 -0.640 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001134054791 830883831 /nfs/dbraw/zinc/88/38/31/830883831.db2.gz SERQVAAIWNEBPY-NEPJUHHUSA-N 1 0 319.427 -0.777 20 30 DBEDRO Cc1cc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001134055630 830883956 /nfs/dbraw/zinc/88/39/56/830883956.db2.gz KRVRNMUOMXHQFK-MNOVXSKESA-N 1 0 320.397 -0.227 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cccc(=O)[nH]1 ZINC001134065469 830885382 /nfs/dbraw/zinc/88/53/82/830885382.db2.gz OSUNEHOZJORTAK-GHMZBOCLSA-N 1 0 319.365 -0.087 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001134130295 830895165 /nfs/dbraw/zinc/89/51/65/830895165.db2.gz FWJDAACOXAKUMW-NWDGAFQWSA-N 1 0 322.409 -0.723 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nccn1C ZINC001134131345 830896093 /nfs/dbraw/zinc/89/60/93/830896093.db2.gz VAQAKYDWFSLMEH-STQMWFEESA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001134131023 830896120 /nfs/dbraw/zinc/89/61/20/830896120.db2.gz PMUBXNDIUSBHKS-OLZOCXBDSA-N 1 0 324.425 -0.523 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001134131138 830896159 /nfs/dbraw/zinc/89/61/59/830896159.db2.gz RFZDNILGAOKGAG-CHWSQXEVSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nccn1C ZINC001134131343 830896512 /nfs/dbraw/zinc/89/65/12/830896512.db2.gz VAQAKYDWFSLMEH-OLZOCXBDSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001134130695 830896527 /nfs/dbraw/zinc/89/65/27/830896527.db2.gz LJKGDMZEDTZVMU-MNOVXSKESA-N 1 0 321.381 -0.110 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134931 830897996 /nfs/dbraw/zinc/89/79/96/830897996.db2.gz PLQJKXOXKPETOH-NWDGAFQWSA-N 1 0 309.370 -0.494 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001134142780 830899439 /nfs/dbraw/zinc/89/94/39/830899439.db2.gz GSZKJQUIGBOCLC-RYUDHWBXSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001134141826 830899490 /nfs/dbraw/zinc/89/94/90/830899490.db2.gz AQIOAZSHSDPPKQ-UONOGXRCSA-N 1 0 300.362 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(OC)no1 ZINC001134139754 830899781 /nfs/dbraw/zinc/89/97/81/830899781.db2.gz SOJZWRWSXWVZHK-QWRGUYRKSA-N 1 0 322.365 -0.081 20 30 DBEDRO CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134142771 830899983 /nfs/dbraw/zinc/89/99/83/830899983.db2.gz GRAZENGJXAKUCX-MNOVXSKESA-N 1 0 311.386 -0.975 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001134153099 830901561 /nfs/dbraw/zinc/90/15/61/830901561.db2.gz VMLDFPPVEBXDFV-NWDGAFQWSA-N 1 0 303.366 -0.288 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001134163504 830902581 /nfs/dbraw/zinc/90/25/81/830902581.db2.gz BMJKYUBUWOPVSM-QWHCGFSZSA-N 1 0 307.394 -0.045 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219346 830910458 /nfs/dbraw/zinc/91/04/58/830910458.db2.gz LQUNJNOIBOGKLQ-GHMZBOCLSA-N 1 0 324.381 -0.233 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1ccnn1C ZINC001134224124 830911028 /nfs/dbraw/zinc/91/10/28/830911028.db2.gz PPCIBGCFMLTRGS-OLZOCXBDSA-N 1 0 319.409 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001134269779 830916718 /nfs/dbraw/zinc/91/67/18/830916718.db2.gz JNZAOYJOYSOOQQ-MNOVXSKESA-N 1 0 306.370 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnnn1CC ZINC001134321267 830922191 /nfs/dbraw/zinc/92/21/91/830922191.db2.gz GNBZXPOFMWKTIJ-NEPJUHHUSA-N 1 0 320.397 -0.466 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 ZINC001134323127 830922979 /nfs/dbraw/zinc/92/29/79/830922979.db2.gz YQNXAGVHUSXCFX-VXGBXAGGSA-N 1 0 320.393 -0.176 20 30 DBEDRO Cc1cn(C)nc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134335186 830923633 /nfs/dbraw/zinc/92/36/33/830923633.db2.gz ZGFQUEUOKQCDGD-NEPJUHHUSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nn(C)cc1C ZINC001134333372 830923696 /nfs/dbraw/zinc/92/36/96/830923696.db2.gz NNBRTMAUUTYUHZ-OLZOCXBDSA-N 1 0 319.409 -0.036 20 30 DBEDRO Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001134332874 830923817 /nfs/dbraw/zinc/92/38/17/830923817.db2.gz IQWREBAKDVTSIR-NWDGAFQWSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCOCC#C ZINC001134351528 830924705 /nfs/dbraw/zinc/92/47/05/830924705.db2.gz HHYZOYBQLSZZRG-KGLIPLIRSA-N 1 0 307.394 -0.351 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134344938 830924766 /nfs/dbraw/zinc/92/47/66/830924766.db2.gz NMEQBWXHMBATRR-VXGBXAGGSA-N 1 0 310.398 -0.026 20 30 DBEDRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134354048 830927866 /nfs/dbraw/zinc/92/78/66/830927866.db2.gz ZMAGZHCQTKXBQD-LLVKDONJSA-N 1 0 324.406 -0.298 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134373070 830929606 /nfs/dbraw/zinc/92/96/06/830929606.db2.gz QVHPDJXCTCASIY-NWDGAFQWSA-N 1 0 308.386 -0.377 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398854 830934368 /nfs/dbraw/zinc/93/43/68/830934368.db2.gz IEYNTTSWCOZZHX-GHMZBOCLSA-N 1 0 306.370 -0.727 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134461849 830938606 /nfs/dbraw/zinc/93/86/06/830938606.db2.gz NXZZXLLKARHFNS-RYUDHWBXSA-N 1 0 308.386 -0.547 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134503586 830942076 /nfs/dbraw/zinc/94/20/76/830942076.db2.gz PXTRMYMAZCRHLM-CHWSQXEVSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134508470 830943013 /nfs/dbraw/zinc/94/30/13/830943013.db2.gz CLHZXWJEFSURKM-VXGBXAGGSA-N 1 0 303.428 -0.226 20 30 DBEDRO 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C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]nc1C ZINC001135143112 831014613 /nfs/dbraw/zinc/01/46/13/831014613.db2.gz IOLDKSLMKCHPDT-MNOVXSKESA-N 1 0 305.382 -0.046 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135145457 831014833 /nfs/dbraw/zinc/01/48/33/831014833.db2.gz IYCUIIABXDOOPH-DCAQKATOSA-N 1 0 312.370 -0.743 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135147857 831014870 /nfs/dbraw/zinc/01/48/70/831014870.db2.gz QMYLRWAGAVTZNX-KKUMJFAQSA-N 1 0 322.409 -0.069 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]nnc1C ZINC001135161279 831016841 /nfs/dbraw/zinc/01/68/41/831016841.db2.gz LNFVXNPRECRAED-ZJUUUORDSA-N 1 0 308.386 -0.098 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)CNC(C)=O)C1=O ZINC001135172944 831019764 /nfs/dbraw/zinc/01/97/64/831019764.db2.gz QAYWCCJUSYJLPT-CYBMUJFWSA-N 1 0 324.425 -0.359 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001135188401 831020691 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COCCC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001183152636 833708500 /nfs/dbraw/zinc/70/85/00/833708500.db2.gz ZRYKMHYBAOASDH-GFCCVEGCSA-N 1 0 308.382 -0.367 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COc1cccnc1 ZINC001135352113 831058726 /nfs/dbraw/zinc/05/87/26/831058726.db2.gz BAKPMMCLQSOWHK-GFCCVEGCSA-N 1 0 304.350 -0.696 20 30 DBEDRO C#CCC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)CCOCC1 ZINC001183200806 833709216 /nfs/dbraw/zinc/70/92/16/833709216.db2.gz WSYQRGWVWLVUMK-CYBMUJFWSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001135387277 831065977 /nfs/dbraw/zinc/06/59/77/831065977.db2.gz MUPYVOICFWFUFB-QWRGUYRKSA-N 1 0 323.397 -0.086 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOc2ccccc21 ZINC001135393345 831066715 /nfs/dbraw/zinc/06/67/15/831066715.db2.gz GNFLMYYPGMIUTI-ZDUSSCGKSA-N 1 0 316.361 -0.102 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)nn(CC)c1C ZINC001135409555 831068539 /nfs/dbraw/zinc/06/85/39/831068539.db2.gz 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C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001135593621 831094738 /nfs/dbraw/zinc/09/47/38/831094738.db2.gz SBYPXUKSMWOCAW-MNOVXSKESA-N 1 0 322.365 -0.697 20 30 DBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn2nccc2c1=O ZINC001135614379 831097712 /nfs/dbraw/zinc/09/77/12/831097712.db2.gz RWUMDOHUASQEML-RYUDHWBXSA-N 1 0 318.381 -0.050 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(OC)c1F ZINC001135643257 831100003 /nfs/dbraw/zinc/10/00/03/831100003.db2.gz NTRVXCLGURHSRF-UHFFFAOYSA-N 1 0 307.325 -0.097 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135669369 831103793 /nfs/dbraw/zinc/10/37/93/831103793.db2.gz MFNDRYGMHXGSPJ-UHFFFAOYSA-N 1 0 308.338 -0.906 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001135671818 831104084 /nfs/dbraw/zinc/10/40/84/831104084.db2.gz XTROKSNHNJZMRM-QWRGUYRKSA-N 1 0 306.370 -0.949 20 30 DBEDRO CNC(=O)C1(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001135676569 831105297 /nfs/dbraw/zinc/10/52/97/831105297.db2.gz YRGRGOCADZTRDE-MNOVXSKESA-N 1 0 323.397 -0.975 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2nccnc21 ZINC001135684282 831107635 /nfs/dbraw/zinc/10/76/35/831107635.db2.gz FBQGSUFVGTXIPC-UHFFFAOYSA-N 1 0 311.345 -0.301 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CCC)nc1C ZINC001135719492 831112782 /nfs/dbraw/zinc/11/27/82/831112782.db2.gz FXHSIXSJYSWGHA-UHFFFAOYSA-N 1 0 305.382 -0.330 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135758998 831117142 /nfs/dbraw/zinc/11/71/42/831117142.db2.gz FOTKHZXDSLXZOU-NEPJUHHUSA-N 1 0 323.401 -0.762 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ncc[nH]1 ZINC001135775439 831119162 /nfs/dbraw/zinc/11/91/62/831119162.db2.gz ZNIUHDLCIZYMMH-WDEREUQCSA-N 1 0 306.370 -0.535 20 30 DBEDRO CCn1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001135806507 831125512 /nfs/dbraw/zinc/12/55/12/831125512.db2.gz FKWFGUSQAFCRJM-GHMZBOCLSA-N 1 0 321.385 -0.576 20 30 DBEDRO Cc1nonc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135820366 831127291 /nfs/dbraw/zinc/12/72/91/831127291.db2.gz AADVRIPVTFJWCR-NXEZZACHSA-N 1 0 322.369 -0.567 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135826716 831128855 /nfs/dbraw/zinc/12/88/55/831128855.db2.gz YDOGZBJYRKEDTE-VIFPVBQESA-N 1 0 307.354 -0.876 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135893439 831132154 /nfs/dbraw/zinc/13/21/54/831132154.db2.gz LXYCTHYZRCCEBM-NWDGAFQWSA-N 1 0 308.382 -0.176 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001135906729 831134999 /nfs/dbraw/zinc/13/49/99/831134999.db2.gz FEWCSNDWUCDWIC-GHMZBOCLSA-N 1 0 308.386 -0.478 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920517 831137750 /nfs/dbraw/zinc/13/77/50/831137750.db2.gz VTAUZOUSZJQVMF-NEPJUHHUSA-N 1 0 308.382 -0.223 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923856 831138664 /nfs/dbraw/zinc/13/86/64/831138664.db2.gz ODVXUSVCQNCZIN-WDEREUQCSA-N 1 0 316.365 -0.073 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923129 831138706 /nfs/dbraw/zinc/13/87/06/831138706.db2.gz HQUNJNPEJLMFNI-GHMZBOCLSA-N 1 0 316.365 -0.073 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923490 831138789 /nfs/dbraw/zinc/13/87/89/831138789.db2.gz LDDPOOXQCQTRQG-UWVGGRQHSA-N 1 0 302.338 -0.463 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cncn1C ZINC001135944619 831139546 /nfs/dbraw/zinc/13/95/46/831139546.db2.gz NGIUKJZWMFIWIL-NWDGAFQWSA-N 1 0 320.397 -0.525 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C(C)C)nn1 ZINC001135981568 831143882 /nfs/dbraw/zinc/14/38/82/831143882.db2.gz QSQOHRRHMSSINX-LLVKDONJSA-N 1 0 308.386 -0.131 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CCC)nn1 ZINC001135973300 831144273 /nfs/dbraw/zinc/14/42/73/831144273.db2.gz VTCQNGHBZZOSDZ-LLVKDONJSA-N 1 0 308.386 -0.302 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C(C)C)nn1 ZINC001135994047 831144910 /nfs/dbraw/zinc/14/49/10/831144910.db2.gz CNOBVPTXYGKWPB-NSHDSACASA-N 1 0 306.370 -0.684 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135998613 831146135 /nfs/dbraw/zinc/14/61/35/831146135.db2.gz AIJMDZPIUYKTCH-UHFFFAOYSA-N 1 0 320.397 -0.182 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001136012048 831148578 /nfs/dbraw/zinc/14/85/78/831148578.db2.gz JVIMRYHGGRLMIN-GFCCVEGCSA-N 1 0 305.382 -0.946 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001136112428 831157060 /nfs/dbraw/zinc/15/70/60/831157060.db2.gz SPVZYMMCBAZFKI-GHMZBOCLSA-N 1 0 308.382 -0.177 20 30 DBEDRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1(C#N)CC1 ZINC001143174699 831229587 /nfs/dbraw/zinc/22/95/87/831229587.db2.gz WJFOFKRBSKJGMI-UHFFFAOYSA-N 1 0 324.362 -0.088 20 30 DBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC001144004059 831245445 /nfs/dbraw/zinc/24/54/45/831245445.db2.gz QLRPAOVGSCCXRN-SNVBAGLBSA-N 1 0 304.354 -0.350 20 30 DBEDRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=[NH2+] ZINC001144132281 831247960 /nfs/dbraw/zinc/24/79/60/831247960.db2.gz LQFFHKHVECODBL-SNVBAGLBSA-N 1 0 324.385 -0.217 20 30 DBEDRO CC(=O)N[C@@H](CS)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001144426740 831254271 /nfs/dbraw/zinc/25/42/71/831254271.db2.gz FOYDGNMLNREOMW-SBFPOUOMSA-N 1 0 319.427 -0.738 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C[C@@H]1C ZINC001184411587 833758819 /nfs/dbraw/zinc/75/88/19/833758819.db2.gz FGEPVILORSEODB-QWHCGFSZSA-N 1 0 315.439 -0.367 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC(F)F)C1 ZINC001184542894 833763161 /nfs/dbraw/zinc/76/31/61/833763161.db2.gz AMYUOZMVLAWIJR-SECBINFHSA-N 1 0 304.297 -0.902 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(OC)n1 ZINC001146364303 831277734 /nfs/dbraw/zinc/27/77/34/831277734.db2.gz NEQQANDAIJTGJC-LLVKDONJSA-N 1 0 304.350 -0.453 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1scc2c1OCCO2 ZINC001146500653 831281630 /nfs/dbraw/zinc/28/16/30/831281630.db2.gz MDPJRGVLHSLGCK-UHFFFAOYSA-N 1 0 323.374 -0.412 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001184922996 833775434 /nfs/dbraw/zinc/77/54/34/833775434.db2.gz IPKGUFKKICFCOF-ZIAGYGMSSA-N 1 0 306.410 -0.874 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001184924760 833775479 /nfs/dbraw/zinc/77/54/79/833775479.db2.gz WBEAAWWYLFWEHE-KGLIPLIRSA-N 1 0 308.426 -0.322 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560927 831284676 /nfs/dbraw/zinc/28/46/76/831284676.db2.gz FBHJCFVSXFAXOM-OLZOCXBDSA-N 1 0 322.413 -0.157 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560928 831284773 /nfs/dbraw/zinc/28/47/73/831284773.db2.gz FBHJCFVSXFAXOM-QWHCGFSZSA-N 1 0 322.413 -0.157 20 30 DBEDRO CCS(=O)(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001146590759 831285900 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307.416 -0.824 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152162519 831731339 /nfs/dbraw/zinc/73/13/39/831731339.db2.gz XXUMFZMEEWUAAS-VXGBXAGGSA-N 1 0 320.397 -0.763 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NCCNCc2ccn(C)n2)CC1 ZINC001152334580 831741968 /nfs/dbraw/zinc/74/19/68/831741968.db2.gz IYFQTMJTESTIHI-UHFFFAOYSA-N 1 0 303.410 -0.029 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc(C)cn1 ZINC001152377343 831744003 /nfs/dbraw/zinc/74/40/03/831744003.db2.gz SJQKBIODASWOEJ-ZDUSSCGKSA-N 1 0 305.382 -0.575 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc(C)cn1 ZINC001152376761 831744593 /nfs/dbraw/zinc/74/45/93/831744593.db2.gz LXHLEULWJACUOY-ZDUSSCGKSA-N 1 0 307.398 -0.022 20 30 DBEDRO C=CCNC(=O)NC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001152404837 831747629 /nfs/dbraw/zinc/74/76/29/831747629.db2.gz MZMXCIRXANGKCZ-JTQLQIEISA-N 1 0 313.402 -0.910 20 30 DBEDRO CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152412594 831748253 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C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1nccs1 ZINC001486046281 1013621862 /nfs/dbraw/zinc/62/18/62/1013621862.db2.gz MWYMTWMHWARATP-NXEZZACHSA-N 1 0 312.395 -0.486 20 30 DBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001486049836 1013626822 /nfs/dbraw/zinc/62/68/22/1013626822.db2.gz AVEIYDCYRQELBK-LLVKDONJSA-N 1 0 309.370 -0.504 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)nc1 ZINC001486056934 1013634794 /nfs/dbraw/zinc/63/47/94/1013634794.db2.gz ZVVUUKILISOZEV-ZDUSSCGKSA-N 1 0 316.361 -0.978 20 30 DBEDRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C(F)(F)F ZINC001486056333 1013635156 /nfs/dbraw/zinc/63/51/56/1013635156.db2.gz UVZNCMFMSPQTNO-QMMMGPOBSA-N 1 0 324.303 -0.719 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001486055773 1013635460 /nfs/dbraw/zinc/63/54/60/1013635460.db2.gz POTYYDNNVUTDCV-LLVKDONJSA-N 1 0 315.329 -0.726 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COc2ccccc2O1 ZINC001486058097 1013638495 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1013669401 /nfs/dbraw/zinc/66/94/01/1013669401.db2.gz DGGYHPOQGPLJIG-QWHCGFSZSA-N 1 0 323.397 -0.334 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cccn2)C1 ZINC001486101110 1013674754 /nfs/dbraw/zinc/67/47/54/1013674754.db2.gz MMRBHJFGGBTDNX-KBPBESRZSA-N 1 0 317.393 -0.398 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc(C)n2)[C@H]1C ZINC001486098429 1013675836 /nfs/dbraw/zinc/67/58/36/1013675836.db2.gz YXDCKTFSNQRXKB-WCQYABFASA-N 1 0 315.377 -0.273 20 30 DBEDRO Cc1cn(C)nc1C(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486110523 1013682591 /nfs/dbraw/zinc/68/25/91/1013682591.db2.gz VLKPIJBSWQZPCU-NWDGAFQWSA-N 1 0 318.381 -0.439 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2coc(C)n2)C1 ZINC001486109264 1013682870 /nfs/dbraw/zinc/68/28/70/1013682870.db2.gz QDYNKGXMYMSYOZ-PWSUYJOCSA-N 1 0 304.350 -0.075 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1csc(=O)[nH]1 ZINC001486119262 1013684754 /nfs/dbraw/zinc/68/47/54/1013684754.db2.gz TZBUAOPPNMUHRE-RKDXNWHRSA-N 1 0 323.378 -0.319 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001486114340 1013683004 /nfs/dbraw/zinc/68/30/04/1013683004.db2.gz NAAMTYXEZVQNHI-PWSUYJOCSA-N 1 0 319.365 -0.323 20 30 DBEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001486114948 1013684635 /nfs/dbraw/zinc/68/46/35/1013684635.db2.gz FCOXOHNVZSBGLQ-OCCSQVGLSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccnnc2C)C1 ZINC001486118616 1013686662 /nfs/dbraw/zinc/68/66/62/1013686662.db2.gz UMPXWCPUJPAQSQ-WCQYABFASA-N 1 0 315.377 -0.273 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486125298 1013689280 /nfs/dbraw/zinc/68/92/80/1013689280.db2.gz COQIGYDCMFYEOB-NWDGAFQWSA-N 1 0 303.366 -0.719 20 30 DBEDRO CCn1ccc(C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)n1 ZINC001486124758 1013689308 /nfs/dbraw/zinc/68/93/08/1013689308.db2.gz SCRNMDOWYPXKRQ-RYUDHWBXSA-N 1 0 318.381 -0.265 20 30 DBEDRO Cc1ccnn1CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001486124262 1013689543 /nfs/dbraw/zinc/68/95/43/1013689543.db2.gz NKBBYHDZTDEWJE-CHWSQXEVSA-N 1 0 318.381 -0.590 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001486125299 1013691153 /nfs/dbraw/zinc/69/11/53/1013691153.db2.gz COQIGYDCMFYEOB-RYUDHWBXSA-N 1 0 303.366 -0.719 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccnn2)C1 ZINC001486129639 1013692878 /nfs/dbraw/zinc/69/28/78/1013692878.db2.gz NSDCGTJXQWYNCZ-RYUDHWBXSA-N 1 0 301.350 -0.581 20 30 DBEDRO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001486196186 1013709370 /nfs/dbraw/zinc/70/93/70/1013709370.db2.gz OZOVMTVHABIUNU-VXGBXAGGSA-N 1 0 318.381 -0.154 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001486203159 1013713361 /nfs/dbraw/zinc/71/33/61/1013713361.db2.gz UWZDTXWQALBCAE-VXGBXAGGSA-N 1 0 303.428 -0.014 20 30 DBEDRO C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)nn1 ZINC001486214015 1013714204 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1013753276 /nfs/dbraw/zinc/75/32/76/1013753276.db2.gz MLLHAFOMEQXVQZ-GXSJLCMTSA-N 1 0 323.353 -0.510 20 30 DBEDRO CCn1nnc(C)c1C[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001486274372 1013766526 /nfs/dbraw/zinc/76/65/26/1013766526.db2.gz MRYJYIIGLIGEIC-AWEZNQCLSA-N 1 0 319.409 -0.071 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnoc1C ZINC001486276226 1013770675 /nfs/dbraw/zinc/77/06/75/1013770675.db2.gz FTTIUVPYEZMFPK-GXTWGEPZSA-N 1 0 309.366 -0.070 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnoc1C ZINC001486276227 1013772388 /nfs/dbraw/zinc/77/23/88/1013772388.db2.gz FTTIUVPYEZMFPK-JSGCOSHPSA-N 1 0 309.366 -0.070 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001486281514 1013780834 /nfs/dbraw/zinc/78/08/34/1013780834.db2.gz QNFKPWBLFUQPAW-CYBMUJFWSA-N 1 0 305.382 -0.412 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001486283187 1013782793 /nfs/dbraw/zinc/78/27/93/1013782793.db2.gz RQWGSLVSWNUWOE-NSHDSACASA-N 1 0 310.354 -0.904 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC001486278307 1013777326 /nfs/dbraw/zinc/77/73/26/1013777326.db2.gz NBSGVDIHSPLRQL-IUODEOHRSA-N 1 0 319.409 -0.168 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)COc1c(C)occc1=O ZINC001486287623 1013787374 /nfs/dbraw/zinc/78/73/74/1013787374.db2.gz XQTRSNBCMMTBRQ-ZDUSSCGKSA-N 1 0 322.361 -0.241 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccsn1 ZINC001486286299 1013787403 /nfs/dbraw/zinc/78/74/03/1013787403.db2.gz UPOLDCKEJYUVCZ-SNVBAGLBSA-N 1 0 312.395 -0.532 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)C(=O)c1cn[nH]n1 ZINC001486287839 1013788712 /nfs/dbraw/zinc/78/87/12/1013788712.db2.gz GGHQURYRXQKNJJ-VIFPVBQESA-N 1 0 320.378 -0.039 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCCS1(=O)=O ZINC001486292262 1013792259 /nfs/dbraw/zinc/79/22/59/1013792259.db2.gz NYMOAYDHYSMSNI-OLZOCXBDSA-N 1 0 318.439 -0.061 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001486292818 1013792554 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DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001486304483 1013803158 /nfs/dbraw/zinc/80/31/58/1013803158.db2.gz MDNWOIPZQWFFGO-NSHDSACASA-N 1 0 309.370 -0.957 20 30 DBEDRO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)c1ccco1 ZINC001486310539 1013805910 /nfs/dbraw/zinc/80/59/10/1013805910.db2.gz JNLIKTSKMMQGHG-VXGBXAGGSA-N 1 0 322.365 -0.568 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)NC(=O)NCCC ZINC001486317168 1013808945 /nfs/dbraw/zinc/80/89/45/1013808945.db2.gz FDYALILNSUCLKX-GFCCVEGCSA-N 1 0 312.414 -0.484 20 30 DBEDRO C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001486320146 1013809857 /nfs/dbraw/zinc/80/98/57/1013809857.db2.gz RQEWDTPCGMQBOO-LBPRGKRZSA-N 1 0 310.398 -0.288 20 30 DBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccnc2n[nH]nc21 ZINC001486339249 1013819798 /nfs/dbraw/zinc/81/97/98/1013819798.db2.gz RPPXSQVEIUSQHY-SNVBAGLBSA-N 1 0 302.338 -0.649 20 30 DBEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001486338914 1013820469 /nfs/dbraw/zinc/82/04/69/1013820469.db2.gz KGZUOLUZYGKRAW-UONOGXRCSA-N 1 0 324.425 -0.449 20 30 DBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc(OC)cc(OC)n1 ZINC001486341125 1013821256 /nfs/dbraw/zinc/82/12/56/1013821256.db2.gz PQNVZEWKOCMHTE-NSHDSACASA-N 1 0 322.365 -0.508 20 30 DBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc2n[nH]cc2c1 ZINC001486341039 1013821667 /nfs/dbraw/zinc/82/16/67/1013821667.db2.gz NWQRLTNRDACBQU-ZDUSSCGKSA-N 1 0 301.350 -0.044 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001486340272 1013821753 /nfs/dbraw/zinc/82/17/53/1013821753.db2.gz HCLNTHGKZKCRHF-CABCVRRESA-N 1 0 311.426 -0.783 20 30 DBEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001486339612 1013821906 /nfs/dbraw/zinc/82/19/06/1013821906.db2.gz XEBRVWZSXWRMSA-LLVKDONJSA-N 1 0 307.350 -0.234 20 30 DBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC001486354377 1013827645 /nfs/dbraw/zinc/82/76/45/1013827645.db2.gz AVWOBHZLVMSHAA-NSHDSACASA-N 1 0 319.365 -0.014 20 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DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001374679256 989128857 /nfs/dbraw/zinc/12/88/57/989128857.db2.gz ZFJPMPKGOYZLQM-NWDGAFQWSA-N 1 0 303.790 -0.184 20 30 DBEDRO C=C(Br)C[NH2+]C[C@H](O)CNC(=O)Cn1cncn1 ZINC001374681438 989132485 /nfs/dbraw/zinc/13/24/85/989132485.db2.gz PDLILDWYZVUTOH-VIFPVBQESA-N 1 0 318.175 -0.747 20 30 DBEDRO C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cn1ncnn1 ZINC001374890675 989291091 /nfs/dbraw/zinc/29/10/91/989291091.db2.gz ULDFZDNUPYEAAK-JTQLQIEISA-N 1 0 317.328 -0.022 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001374908203 989305524 /nfs/dbraw/zinc/30/55/24/989305524.db2.gz NBCKAEGSRIIJCX-VIFPVBQESA-N 1 0 300.746 -0.204 20 30 DBEDRO COCc1ccc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)o1 ZINC001491522510 1015472633 /nfs/dbraw/zinc/47/26/33/1015472633.db2.gz YFHGREASLKTJKH-SNVBAGLBSA-N 1 0 308.338 -0.226 20 30 DBEDRO C[C@@H](C#N)C(=O)N[C@]1(C)CCN(C(=O)COCC[NH+](C)C)C1 ZINC001536895824 1015476606 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DBEDRO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC001376274260 989995958 /nfs/dbraw/zinc/99/59/58/989995958.db2.gz IFFQYRAFLDOZKN-WDEREUQCSA-N 1 0 321.830 -0.085 20 30 DBEDRO C[N@@H+]1CC[C@H](CNC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001542184901 1015529343 /nfs/dbraw/zinc/52/93/43/1015529343.db2.gz VGLRFUSLPYBUIG-PHIZWAGYSA-N 1 0 306.366 -0.029 20 30 DBEDRO N#Cc1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCCO)C2)c[nH]1 ZINC001376462389 990080495 /nfs/dbraw/zinc/08/04/95/990080495.db2.gz MTEFHWYABIYOKA-HNNXBMFYSA-N 1 0 306.366 -0.175 20 30 DBEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ncccc1C#N ZINC001544055279 1015542119 /nfs/dbraw/zinc/54/21/19/1015542119.db2.gz HTYRNRUYFJXCEW-WFASDCNBSA-N 1 0 303.366 -0.064 20 30 DBEDRO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)C(N)=O ZINC001376853527 990351228 /nfs/dbraw/zinc/35/12/28/990351228.db2.gz KEUZLVHTXKMYBT-OLZOCXBDSA-N 1 0 319.365 -0.419 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1ccc(C)nc1 ZINC001491674630 1015564272 /nfs/dbraw/zinc/56/42/72/1015564272.db2.gz PDCCXTWMXAIXQF-CYBMUJFWSA-N 1 0 302.378 -0.224 20 30 DBEDRO C[C@@H]([NH2+]CC1(NC(=O)c2cc(C#N)c[nH]2)CCOCC1)C(N)=O ZINC001377189612 990477662 /nfs/dbraw/zinc/47/76/62/990477662.db2.gz KZLQDTAUVKEAQG-SNVBAGLBSA-N 1 0 319.365 -0.371 20 30 DBEDRO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001377438484 990596318 /nfs/dbraw/zinc/59/63/18/990596318.db2.gz NHPDXFBMRXIHPD-NEPJUHHUSA-N 1 0 316.427 -0.477 20 30 DBEDRO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001377442899 990601151 /nfs/dbraw/zinc/60/11/51/990601151.db2.gz YNTYZSMNJWQXTB-AAEUAGOBSA-N 1 0 306.366 -0.055 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001491698892 1015580209 /nfs/dbraw/zinc/58/02/09/1015580209.db2.gz KIMSDOQWWGSRAY-NSHDSACASA-N 1 0 304.350 -0.462 20 30 DBEDRO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001377749402 990719452 /nfs/dbraw/zinc/71/94/52/990719452.db2.gz JZEUEQAZSIDAQJ-UONOGXRCSA-N 1 0 322.409 -0.215 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001491701403 1015582790 /nfs/dbraw/zinc/58/27/90/1015582790.db2.gz QUCPLLXDOOPUDM-HNNXBMFYSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC001491701482 1015584085 /nfs/dbraw/zinc/58/40/85/1015584085.db2.gz RVPVIJXIWGYYSN-GJZGRUSLSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001491706847 1015586739 /nfs/dbraw/zinc/58/67/39/1015586739.db2.gz XRBIUUSUVQDJDP-CYBMUJFWSA-N 1 0 309.410 -0.275 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001491725402 1015593273 /nfs/dbraw/zinc/59/32/73/1015593273.db2.gz ZGOPIIPVFVWHDL-RYUDHWBXSA-N 1 0 307.350 -0.978 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(OC)ncn2)C1 ZINC001491725210 1015593687 /nfs/dbraw/zinc/59/36/87/1015593687.db2.gz DOGDLUHOGCKZHC-NSHDSACASA-N 1 0 319.365 -0.409 20 30 DBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001491725288 1015594622 /nfs/dbraw/zinc/59/46/22/1015594622.db2.gz NLRIDHDNUQKTIF-LBPRGKRZSA-N 1 0 318.443 -0.509 20 30 DBEDRO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]CC(=O)NC1CCOCC1 ZINC001378237872 990891079 /nfs/dbraw/zinc/89/10/79/990891079.db2.gz BNQSNCWINUISDS-VXGBXAGGSA-N 1 0 310.398 -0.074 20 30 DBEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cn1ncn(C)c1=O ZINC001378269087 990906810 /nfs/dbraw/zinc/90/68/10/990906810.db2.gz PHGFSSFVAMCXEJ-SNVBAGLBSA-N 1 0 301.778 -0.181 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H](C)C#N)C1CC1 ZINC001378389208 990958252 /nfs/dbraw/zinc/95/82/52/990958252.db2.gz JDLXHGDZAZOIMC-XPTSAGLGSA-N 1 0 309.370 -0.524 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)C#N)CC1 ZINC001378437163 990971349 /nfs/dbraw/zinc/97/13/49/990971349.db2.gz SAIVYSLAPIUEJM-GMTAPVOTSA-N 1 0 309.370 -0.381 20 30 DBEDRO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001378489169 990990266 /nfs/dbraw/zinc/99/02/66/990990266.db2.gz FAGMFFYDCGGTMW-ZWNOBZJWSA-N 1 0 306.366 -0.056 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001491759192 1015607558 /nfs/dbraw/zinc/60/75/58/1015607558.db2.gz VIVHSCWPYNWCKJ-LBPRGKRZSA-N 1 0 304.350 -0.860 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001378682754 991109819 /nfs/dbraw/zinc/10/98/19/991109819.db2.gz FILOHUDGYSMZCD-ZDEQEGDKSA-N 1 0 305.382 -0.535 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC001491767573 1015613612 /nfs/dbraw/zinc/61/36/12/1015613612.db2.gz SHRAWGJEAOISFP-RYUDHWBXSA-N 1 0 317.393 -0.086 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC001491765508 1015614152 /nfs/dbraw/zinc/61/41/52/1015614152.db2.gz QYUNLHIHXNNONU-ZDUSSCGKSA-N 1 0 316.361 -0.104 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC001491769833 1015615170 /nfs/dbraw/zinc/61/51/70/1015615170.db2.gz ZLWDAVHPNQELBT-ZDUSSCGKSA-N 1 0 309.410 -0.011 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001491778618 1015617437 /nfs/dbraw/zinc/61/74/37/1015617437.db2.gz UOQOCTHMKCYESX-ZDUSSCGKSA-N 1 0 316.361 -0.366 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001491795251 1015625545 /nfs/dbraw/zinc/62/55/45/1015625545.db2.gz IXZBCQVGFWMXFN-LBPRGKRZSA-N 1 0 301.350 -0.722 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491800170 1015627133 /nfs/dbraw/zinc/62/71/33/1015627133.db2.gz GCLKBBFNCDNLNO-QWHCGFSZSA-N 1 0 306.366 -0.897 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC001491797909 1015627734 /nfs/dbraw/zinc/62/77/34/1015627734.db2.gz ONSATZIVYYJSOT-ZDUSSCGKSA-N 1 0 315.377 -0.414 20 30 DBEDRO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001379151333 991359327 /nfs/dbraw/zinc/35/93/27/991359327.db2.gz BLQYLKIUXTVAKB-ZDUSSCGKSA-N 1 0 322.340 -0.600 20 30 DBEDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001379156864 991365161 /nfs/dbraw/zinc/36/51/61/991365161.db2.gz AAJCAXNUTYQBNT-NHYWBVRUSA-N 1 0 318.377 -0.350 20 30 DBEDRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001379156856 991365239 /nfs/dbraw/zinc/36/52/39/991365239.db2.gz AAJCAXNUTYQBNT-ABAIWWIYSA-N 1 0 318.377 -0.350 20 30 DBEDRO CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379181282 991390921 /nfs/dbraw/zinc/39/09/21/991390921.db2.gz MJFKWTLCTFAVSI-GFCCVEGCSA-N 1 0 321.381 -0.567 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC001379182831 991393463 /nfs/dbraw/zinc/39/34/63/991393463.db2.gz GJJRNDIPXKEQKC-ONGXEEELSA-N 1 0 303.322 -0.051 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)c1ccccc1 ZINC001379192125 991401856 /nfs/dbraw/zinc/40/18/56/991401856.db2.gz VZKIRJGRHNMXGN-GXTWGEPZSA-N 1 0 318.377 -0.124 20 30 DBEDRO C[C@H](CC(N)=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379235574 991460315 /nfs/dbraw/zinc/46/03/15/991460315.db2.gz XZGICCSIVGPGGF-RISCZKNCSA-N 1 0 318.377 -0.364 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001491818929 1015639377 /nfs/dbraw/zinc/63/93/77/1015639377.db2.gz VWSUNKWFHQUIMR-LBPRGKRZSA-N 1 0 304.350 -0.590 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001379254358 991482365 /nfs/dbraw/zinc/48/23/65/991482365.db2.gz PHTZHVMFGGNBSS-PWSUYJOCSA-N 1 0 324.830 -0.227 20 30 DBEDRO Cn1ncc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2C#N)n1 ZINC001379255951 991485348 /nfs/dbraw/zinc/48/53/48/991485348.db2.gz SDLRAVOKXOJYHH-CYBMUJFWSA-N 1 0 314.349 -0.433 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001491815915 1015637395 /nfs/dbraw/zinc/63/73/95/1015637395.db2.gz IWQSCWFIKUQVCL-GFCCVEGCSA-N 1 0 317.393 -0.227 20 30 DBEDRO C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1ncnn1 ZINC001379352748 991570387 /nfs/dbraw/zinc/57/03/87/991570387.db2.gz BWSRSHPLJOLMLW-SECBINFHSA-N 1 0 305.367 -0.099 20 30 DBEDRO Cc1ncc(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1C ZINC001491829863 1015645166 /nfs/dbraw/zinc/64/51/66/1015645166.db2.gz SOBQKMCLUFUBCM-LBPRGKRZSA-N 1 0 318.381 -0.580 20 30 DBEDRO 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1011411952 /nfs/dbraw/zinc/41/19/52/1011411952.db2.gz DWHACNAJDHFWDG-CYBMUJFWSA-N 1 0 316.361 -0.610 20 30 DBEDRO C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)c1ccco1 ZINC001482765719 1011412716 /nfs/dbraw/zinc/41/27/16/1011412716.db2.gz BTRIADBLKWMEJJ-WDEREUQCSA-N 1 0 308.338 -0.910 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001482770911 1011421192 /nfs/dbraw/zinc/42/11/92/1011421192.db2.gz WWQPTFSTDQBXMA-CQSZACIVSA-N 1 0 318.373 -0.048 20 30 DBEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001482772864 1011425382 /nfs/dbraw/zinc/42/53/82/1011425382.db2.gz JUXIUHREMXEDIK-SNVBAGLBSA-N 1 0 314.386 -0.889 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001482783233 1011448278 /nfs/dbraw/zinc/44/82/78/1011448278.db2.gz XXBYABZBIZYTGJ-VIFPVBQESA-N 1 0 300.746 -0.454 20 30 DBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001497230122 1017318795 /nfs/dbraw/zinc/31/87/95/1017318795.db2.gz ZOXAORJYMYQKGW-RYUDHWBXSA-N 1 0 323.397 -0.831 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)COc1ccccc1 ZINC001482788113 1011462237 /nfs/dbraw/zinc/46/22/37/1011462237.db2.gz LRCXOZUUIYOMDV-CQSZACIVSA-N 1 0 306.362 -0.218 20 30 DBEDRO N#Cc1ccccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482790277 1011467942 /nfs/dbraw/zinc/46/79/42/1011467942.db2.gz YQOIBFPEALFOGO-KGLIPLIRSA-N 1 0 316.361 -0.596 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001497250581 1017321944 /nfs/dbraw/zinc/32/19/44/1017321944.db2.gz ABFIELYLUQZHQN-NEPJUHHUSA-N 1 0 310.398 -0.749 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccnc(C)n1 ZINC001482791913 1011473406 /nfs/dbraw/zinc/47/34/06/1011473406.db2.gz FEYWZYRBCUGFGU-CMPLNLGQSA-N 1 0 321.381 -0.844 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CNC(=O)C1CCCCC1 ZINC001482793658 1011475798 /nfs/dbraw/zinc/47/57/98/1011475798.db2.gz GOQDDIDEOFCPPY-AWEZNQCLSA-N 1 0 309.410 -0.227 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001482795410 1011479777 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N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880070744 806911979 /nfs/dbraw/zinc/91/19/79/806911979.db2.gz MJQFWHZTXAYMDC-LSDHHAIUSA-N 1 0 319.409 -0.217 20 30 DBEDRO C#CCN1CCN(C(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000880134448 806914438 /nfs/dbraw/zinc/91/44/38/806914438.db2.gz SIKPICIDMPXHDM-HOTGVXAUSA-N 1 0 304.438 -0.068 20 30 DBEDRO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)CC1 ZINC000880309973 806921757 /nfs/dbraw/zinc/92/17/57/806921757.db2.gz NANWJRLXBKGARK-IYBDPMFKSA-N 1 0 318.421 -0.826 20 30 DBEDRO C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000880479139 806925268 /nfs/dbraw/zinc/92/52/68/806925268.db2.gz KOKKQJGZZQAPHS-KGLIPLIRSA-N 1 0 321.421 -0.051 20 30 DBEDRO C#CCN1CCN(C(=O)C[NH+]2CCC3(CC2)COCCO3)CC1 ZINC000880542291 806928306 /nfs/dbraw/zinc/92/83/06/806928306.db2.gz UXZRJVCOZDODGD-UHFFFAOYSA-N 1 0 321.421 -0.355 20 30 DBEDRO CNC(=O)NCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001324068463 806941249 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CYGXVSQLJPMBQE-RKDXNWHRSA-N 1 0 311.304 -0.446 20 30 DBEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001331774183 807829054 /nfs/dbraw/zinc/82/90/54/807829054.db2.gz KNAOLXALBYNLHP-UHFFFAOYSA-N 1 0 316.361 -0.166 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cccnc1OC ZINC001331774978 807830062 /nfs/dbraw/zinc/83/00/62/807830062.db2.gz QEUTUXXVDSATES-LBPRGKRZSA-N 1 0 307.350 -0.580 20 30 DBEDRO C#CCN(C)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001331781160 807831517 /nfs/dbraw/zinc/83/15/17/807831517.db2.gz VJMDSSRLDMPSPT-AWEZNQCLSA-N 1 0 307.394 -0.305 20 30 DBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](O)COC)CC1 ZINC001331788110 807832684 /nfs/dbraw/zinc/83/26/84/807832684.db2.gz PQSYAHIDJROFRC-ZIAGYGMSSA-N 1 0 300.399 -0.193 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1[nH]c(C)nc1C ZINC001331790066 807833530 /nfs/dbraw/zinc/83/35/30/807833530.db2.gz MOPUQYHHXNCXBI-CMPLNLGQSA-N 1 0 323.397 -0.602 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C)[nH]c1=O 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306.370 -0.539 20 30 DBEDRO C=C(Br)C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743042 830205552 /nfs/dbraw/zinc/20/55/52/830205552.db2.gz DAGDURNRVUVXJR-ZETCQYMHSA-N 1 0 319.159 -0.801 20 30 DBEDRO N#Cc1ccccc1C[NH2+]CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743705 830205748 /nfs/dbraw/zinc/20/57/48/830205748.db2.gz UIEZPQDCKNPAAO-LBPRGKRZSA-N 1 0 315.333 -0.638 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001129770790 830207830 /nfs/dbraw/zinc/20/78/30/830207830.db2.gz KKCKQPFVOUQOPT-KGLIPLIRSA-N 1 0 306.410 -0.589 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001129770130 830207872 /nfs/dbraw/zinc/20/78/72/830207872.db2.gz BRUQFXWOGBXIMG-AWEZNQCLSA-N 1 0 322.453 -0.048 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001129771433 830209589 /nfs/dbraw/zinc/20/95/89/830209589.db2.gz XKAWKZAQKYXQPG-HNNXBMFYSA-N 1 0 303.410 -0.234 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001129771432 830209740 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DBEDRO CC(C)C#CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129822241 830215885 /nfs/dbraw/zinc/21/58/85/830215885.db2.gz LYUOXZRBNVBIJN-UPJWGTAASA-N 1 0 318.381 -0.847 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nc(CC)c[nH]1 ZINC001129831485 830217755 /nfs/dbraw/zinc/21/77/55/830217755.db2.gz WZVHPAARWZRAEC-LLVKDONJSA-N 1 0 307.398 -0.089 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1cncc2ncn(C)c21 ZINC001129845984 830217782 /nfs/dbraw/zinc/21/77/82/830217782.db2.gz MTGGGWZBEUWOIJ-UHFFFAOYSA-N 1 0 301.350 -0.063 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1n1ccnn1 ZINC001129830112 830217994 /nfs/dbraw/zinc/21/79/94/830217994.db2.gz UWGJATACCOMEOM-OLZOCXBDSA-N 1 0 313.365 -0.012 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129864408 830219282 /nfs/dbraw/zinc/21/92/82/830219282.db2.gz YSCQBMIESAGWSS-FQLMCAECSA-N 1 0 315.377 -0.321 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@]2(CC)CCNC2=O)C1=O ZINC001129872399 830220700 /nfs/dbraw/zinc/22/07/00/830220700.db2.gz XMACQOOYCAYAHU-BLLLJJGKSA-N 1 0 322.409 -0.605 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001129944220 830231481 /nfs/dbraw/zinc/23/14/81/830231481.db2.gz KHLYGAAQOBOUCD-UHFFFAOYSA-N 1 0 317.305 -0.507 20 30 DBEDRO CCCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccn1 ZINC001129939160 830231978 /nfs/dbraw/zinc/23/19/78/830231978.db2.gz PPMDYQFMGPGMMI-UHFFFAOYSA-N 1 0 303.366 -0.007 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCNC1=O ZINC001129953081 830232650 /nfs/dbraw/zinc/23/26/50/830232650.db2.gz DJXYLPCOUKITIH-ZDUSSCGKSA-N 1 0 324.425 -0.357 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129953079 830232888 /nfs/dbraw/zinc/23/28/88/830232888.db2.gz DJXYLPCOUKITIH-CYBMUJFWSA-N 1 0 324.425 -0.357 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129957722 830235628 /nfs/dbraw/zinc/23/56/28/830235628.db2.gz SADJUJMDAVQRRR-RYUDHWBXSA-N 1 0 308.382 -0.995 20 30 DBEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129980447 830239125 /nfs/dbraw/zinc/23/91/25/830239125.db2.gz LSWFQVGZAPAFPP-XQQFMLRXSA-N 1 0 320.397 -0.293 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977822 830239156 /nfs/dbraw/zinc/23/91/56/830239156.db2.gz HHRVKIRDKYFMHC-IPYPFGDCSA-N 1 0 321.356 -0.229 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992794 830242871 /nfs/dbraw/zinc/24/28/71/830242871.db2.gz VPFOEWPYHUQOPS-UHFFFAOYSA-N 1 0 321.381 -0.074 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 ZINC001129997636 830243960 /nfs/dbraw/zinc/24/39/60/830243960.db2.gz VRCXJNMWSZAARP-NEPJUHHUSA-N 1 0 317.328 -0.181 20 30 DBEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002650 830244466 /nfs/dbraw/zinc/24/44/66/830244466.db2.gz LQZJUPVEHIKULU-AGIUHOORSA-N 1 0 309.370 -0.533 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041284 830252332 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ZINC001133694700 830811240 /nfs/dbraw/zinc/81/12/40/830811240.db2.gz WXSHWXFBFCMXAJ-NEPJUHHUSA-N 1 0 310.398 -0.558 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694703 830811724 /nfs/dbraw/zinc/81/17/24/830811724.db2.gz WXSHWXFBFCMXAJ-VXGBXAGGSA-N 1 0 310.398 -0.558 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133694702 830811808 /nfs/dbraw/zinc/81/18/08/830811808.db2.gz WXSHWXFBFCMXAJ-RYUDHWBXSA-N 1 0 310.398 -0.558 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cccn1 ZINC001133726766 830813480 /nfs/dbraw/zinc/81/34/80/830813480.db2.gz OLKGLOVZNBFAKF-STQMWFEESA-N 1 0 320.397 -0.214 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)CSCC#N ZINC001133735661 830814200 /nfs/dbraw/zinc/81/42/00/830814200.db2.gz GBSDBOKWFVHFJP-NXEZZACHSA-N 1 0 311.415 -0.160 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CSCC#N ZINC001133735360 830814370 /nfs/dbraw/zinc/81/43/70/830814370.db2.gz CSZVXHNURWWBGB-WDEREUQCSA-N 1 0 311.411 -0.244 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133740141 830815039 /nfs/dbraw/zinc/81/50/39/830815039.db2.gz BDLHJCAKZDZLIO-NEPJUHHUSA-N 1 0 312.414 -0.360 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133740143 830815167 /nfs/dbraw/zinc/81/51/67/830815167.db2.gz BDLHJCAKZDZLIO-RYUDHWBXSA-N 1 0 312.414 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CSCC#N ZINC001133736213 830815411 /nfs/dbraw/zinc/81/54/11/830815411.db2.gz LWUZZENUXLTISJ-NEPJUHHUSA-N 1 0 310.423 -0.135 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CCC(C)C)nn1 ZINC001133751241 830815885 /nfs/dbraw/zinc/81/58/85/830815885.db2.gz YMDIGWUSPCQXNF-UHFFFAOYSA-N 1 0 320.397 -0.607 20 30 DBEDRO CC(C)CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1 ZINC001133750534 830816506 /nfs/dbraw/zinc/81/65/06/830816506.db2.gz PGDYRUWDNQFOQJ-UHFFFAOYSA-N 1 0 321.385 -0.717 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cncn1 ZINC001133759319 830819808 /nfs/dbraw/zinc/81/98/08/830819808.db2.gz ROKCJUGWDGEDKQ-RYUDHWBXSA-N 1 0 321.385 -0.819 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cncn1 ZINC001133758801 830820233 /nfs/dbraw/zinc/82/02/33/830820233.db2.gz NYNYTQOCDDAHMP-OLZOCXBDSA-N 1 0 322.413 -0.157 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cncn1 ZINC001133759320 830820283 /nfs/dbraw/zinc/82/02/83/830820283.db2.gz ROKCJUGWDGEDKQ-VXGBXAGGSA-N 1 0 321.385 -0.819 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cncn1 ZINC001133758800 830820447 /nfs/dbraw/zinc/82/04/47/830820447.db2.gz NYNYTQOCDDAHMP-CHWSQXEVSA-N 1 0 322.413 -0.157 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC1CC1 ZINC001133779099 830825208 /nfs/dbraw/zinc/82/52/08/830825208.db2.gz KOSNKPLBEPMXMH-VXGBXAGGSA-N 1 0 310.398 -0.074 20 30 DBEDRO CCOC1CC2(C[C@@H]2C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133793117 830827286 /nfs/dbraw/zinc/82/72/86/830827286.db2.gz JFBKOFZUHPJQNJ-MQYJIDSJSA-N 1 0 308.382 -0.463 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc2ncn(C)c2n1 ZINC001133803815 830828311 /nfs/dbraw/zinc/82/83/11/830828311.db2.gz HJQJYWASSFFULT-UHFFFAOYSA-N 1 0 301.350 -0.063 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnns1)[NH2+]CC(=O)NCC#N ZINC001133799406 830828631 /nfs/dbraw/zinc/82/86/31/830828631.db2.gz SVDJEYJLCUBUHY-BDAKNGLRSA-N 1 0 310.383 -0.336 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C)nn1C ZINC001133831781 830833269 /nfs/dbraw/zinc/83/32/69/830833269.db2.gz XDJHFBNQAYDBMC-VXGBXAGGSA-N 1 0 319.409 -0.036 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133836848 830835472 /nfs/dbraw/zinc/83/54/72/830835472.db2.gz VBJOBKJSHZDLNJ-NEPJUHHUSA-N 1 0 304.412 -0.446 20 30 DBEDRO Cc1cnn(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC001133843982 830836343 /nfs/dbraw/zinc/83/63/43/830836343.db2.gz LNBYIHSVEFHMHE-CHWSQXEVSA-N 1 0 320.397 -0.296 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001133866903 830842533 /nfs/dbraw/zinc/84/25/33/830842533.db2.gz OHGJKOKDUDUWCZ-WDEREUQCSA-N 1 0 305.382 -0.046 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccnn1C ZINC001133870373 830844599 /nfs/dbraw/zinc/84/45/99/830844599.db2.gz CMYZBMQNMSKGNY-QWRGUYRKSA-N 1 0 306.370 -0.454 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001133880525 830848238 /nfs/dbraw/zinc/84/82/38/830848238.db2.gz KJBJNDZNJNIEMI-WDEREUQCSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCCOC ZINC001133926826 830858510 /nfs/dbraw/zinc/85/85/10/830858510.db2.gz NKRGVEWXXYEQDC-CHWSQXEVSA-N 1 0 315.414 -0.176 20 30 DBEDRO Cc1nn(C)cc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133937346 830861066 /nfs/dbraw/zinc/86/10/66/830861066.db2.gz XNJQUMCUPXPNIF-QWRGUYRKSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133952475 830864140 /nfs/dbraw/zinc/86/41/40/830864140.db2.gz DJNATOSEBJVCNN-VIFPVBQESA-N 1 0 307.354 -0.876 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001133952851 830864298 /nfs/dbraw/zinc/86/42/98/830864298.db2.gz FMWRAWQGSOAGAR-GHMZBOCLSA-N 1 0 320.397 -0.153 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C(C)(F)F ZINC001133968340 830867467 /nfs/dbraw/zinc/86/74/67/830867467.db2.gz VMVGLFNGFIZOBK-VIFPVBQESA-N 1 0 320.340 -0.005 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001133985129 830869820 /nfs/dbraw/zinc/86/98/20/830869820.db2.gz WMWHGPUFESTVFP-QWHCGFSZSA-N 1 0 324.425 -0.065 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001133994739 830870531 /nfs/dbraw/zinc/87/05/31/830870531.db2.gz WJKPQEBTOZOVEM-WDEREUQCSA-N 1 0 320.397 -0.641 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014217 830874199 /nfs/dbraw/zinc/87/41/99/830874199.db2.gz NZFDARXHOBBHDC-IUCAKERBSA-N 1 0 320.353 -0.432 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCc2cn[nH]n2)C1=O ZINC001134016833 830877076 /nfs/dbraw/zinc/87/70/76/830877076.db2.gz UHHWQAUMLMSWCF-GFCCVEGCSA-N 1 0 306.370 -0.770 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134041382 830882351 /nfs/dbraw/zinc/88/23/51/830882351.db2.gz FYARMEUUGBGLRS-NWDGAFQWSA-N 1 0 320.397 -0.640 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1nnc[nH]1 ZINC001134040959 830883139 /nfs/dbraw/zinc/88/31/39/830883139.db2.gz ALDNHGXNPJXQHK-QWRGUYRKSA-N 1 0 321.385 -0.750 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134041381 830883151 /nfs/dbraw/zinc/88/31/51/830883151.db2.gz FYARMEUUGBGLRS-NEPJUHHUSA-N 1 0 320.397 -0.640 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001134054353 830883950 /nfs/dbraw/zinc/88/39/50/830883950.db2.gz GPMLYWAUZZARIL-XQQFMLRXSA-N 1 0 318.439 -0.036 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001134061970 830885062 /nfs/dbraw/zinc/88/50/62/830885062.db2.gz LUZXOJJNUDIEPW-NEPJUHHUSA-N 1 0 324.381 -0.729 20 30 DBEDRO CCc1ccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)nc1 ZINC001134079966 830885864 /nfs/dbraw/zinc/88/58/64/830885864.db2.gz JHCYKKXFIVDKAH-UHFFFAOYSA-N 1 0 303.366 -0.468 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)ncn1 ZINC001134095731 830887305 /nfs/dbraw/zinc/88/73/05/830887305.db2.gz XWGKUEIJQYONJN-JQWIXIFHSA-N 1 0 318.381 -0.089 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134124395 830893720 /nfs/dbraw/zinc/89/37/20/830893720.db2.gz WYFPQXCVFURAQP-UHFFFAOYSA-N 1 0 308.382 -0.127 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001134128060 830895293 /nfs/dbraw/zinc/89/52/93/830895293.db2.gz UUSSXJVDXVJAQY-HUUCEWRRSA-N 1 0 311.426 -0.159 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001134129950 830895463 /nfs/dbraw/zinc/89/54/63/830895463.db2.gz ABZJMENXCHQLHZ-CHWSQXEVSA-N 1 0 320.397 -0.710 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134129988 830895925 /nfs/dbraw/zinc/89/59/25/830895925.db2.gz ARXPALSFNFYIRB-QWHCGFSZSA-N 1 0 313.398 -0.992 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001134130296 830895975 /nfs/dbraw/zinc/89/59/75/830895975.db2.gz FWJDAACOXAKUMW-RYUDHWBXSA-N 1 0 322.409 -0.723 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nccn1C ZINC001134131344 830896614 /nfs/dbraw/zinc/89/66/14/830896614.db2.gz VAQAKYDWFSLMEH-QWHCGFSZSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC ZINC001134130982 830896825 /nfs/dbraw/zinc/89/68/25/830896825.db2.gz OYDOMUMBSXMWAA-NEPJUHHUSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134130340 830896870 /nfs/dbraw/zinc/89/68/70/830896870.db2.gz GPTSHRAAUDQRNM-UONOGXRCSA-N 1 0 307.394 -0.351 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134110 830897234 /nfs/dbraw/zinc/89/72/34/830897234.db2.gz CHMLUCNODQDMQI-GHMZBOCLSA-N 1 0 324.385 -0.841 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001134131517 830898086 /nfs/dbraw/zinc/89/80/86/830898086.db2.gz XPHCQVIFNBMPCY-STQMWFEESA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)no1 ZINC001134139753 830900136 /nfs/dbraw/zinc/90/01/36/830900136.db2.gz SOJZWRWSXWVZHK-MNOVXSKESA-N 1 0 322.365 -0.081 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150402 830901007 /nfs/dbraw/zinc/90/10/07/830901007.db2.gz GNBFLVUUDOEFPZ-UHFFFAOYSA-N 1 0 304.350 -0.833 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1ncccc1O)[NH2+]CC(=O)NCC#N ZINC001134189126 830906078 /nfs/dbraw/zinc/90/60/78/830906078.db2.gz JMYVUZLXAQUCCC-MNOVXSKESA-N 1 0 319.365 -0.087 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134198188 830907806 /nfs/dbraw/zinc/90/78/06/830907806.db2.gz UNXFRXJSYGFFAE-WDEREUQCSA-N 1 0 322.413 -0.209 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2c1OCC2 ZINC001134205900 830908120 /nfs/dbraw/zinc/90/81/20/830908120.db2.gz XNHGFZBQESQVJZ-UHFFFAOYSA-N 1 0 301.346 -0.310 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1N ZINC001134198329 830908398 /nfs/dbraw/zinc/90/83/98/830908398.db2.gz WDHUAELLCVBCMI-VHSXEESVSA-N 1 0 321.385 -0.871 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc(=O)n(C)o1 ZINC001134219567 830910056 /nfs/dbraw/zinc/91/00/56/830910056.db2.gz OUWQVAALSLSQCL-UWVGGRQHSA-N 1 0 323.353 -0.895 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219172 830910372 /nfs/dbraw/zinc/91/03/72/830910372.db2.gz JRUSLHGOQNXIBZ-QWRGUYRKSA-N 1 0 322.365 -0.786 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cc(=O)n(C)o1)[NH2+]CC(=O)NCC#N ZINC001134219569 830910410 /nfs/dbraw/zinc/91/04/10/830910410.db2.gz OUWQVAALSLSQCL-ZJUUUORDSA-N 1 0 323.353 -0.895 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240133 830912592 /nfs/dbraw/zinc/91/25/92/830912592.db2.gz MMRQLVORXDOVHJ-OLZOCXBDSA-N 1 0 309.410 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C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539794 830948033 /nfs/dbraw/zinc/94/80/33/830948033.db2.gz FEZQUYUKZVHAOH-RYUDHWBXSA-N 1 0 308.382 -0.394 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541569 830948871 /nfs/dbraw/zinc/94/88/71/830948871.db2.gz TWBMGXIHVMBOGZ-CHWSQXEVSA-N 1 0 320.393 -0.557 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CCc1c[nH]cn1)[NH2+]CC(=O)NCC#N ZINC001134545940 830950474 /nfs/dbraw/zinc/95/04/74/830950474.db2.gz UCPDYIOIUUVWPQ-NEPJUHHUSA-N 1 0 320.397 -0.145 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557514 830951043 /nfs/dbraw/zinc/95/10/43/830951043.db2.gz PFYJQVONKYFZFT-CHWSQXEVSA-N 1 0 315.439 -0.082 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557832 830951065 /nfs/dbraw/zinc/95/10/65/830951065.db2.gz RHWSTWUOKMPOHO-QWHCGFSZSA-N 1 0 315.439 -0.082 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)nn(C)c1OC ZINC001134600590 830954635 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C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134657819 830963298 /nfs/dbraw/zinc/96/32/98/830963298.db2.gz NDAORISSLWLKHW-GHMZBOCLSA-N 1 0 312.414 -0.327 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658697 830963871 /nfs/dbraw/zinc/96/38/71/830963871.db2.gz WQIJCUHLMNOMQZ-QWRGUYRKSA-N 1 0 310.398 -0.880 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001134681304 830969325 /nfs/dbraw/zinc/96/93/25/830969325.db2.gz VFXVKDDCEQVBSJ-UWVGGRQHSA-N 1 0 321.381 -0.340 20 30 DBEDRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134685879 830969344 /nfs/dbraw/zinc/96/93/44/830969344.db2.gz WDNPJVYUKMNWJW-RKDXNWHRSA-N 1 0 322.369 -0.450 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn(C)nc1C ZINC001134719545 830971381 /nfs/dbraw/zinc/97/13/81/830971381.db2.gz QVJMJUINZBJQRX-ZDUSSCGKSA-N 1 0 319.409 -0.495 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001134721667 830971489 /nfs/dbraw/zinc/97/14/89/830971489.db2.gz JIZRYUZSLULDBU-QWRGUYRKSA-N 1 0 321.381 -0.029 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001134721668 830971544 /nfs/dbraw/zinc/97/15/44/830971544.db2.gz JIZRYUZSLULDBU-WDEREUQCSA-N 1 0 321.381 -0.029 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnc[nH]c1=O ZINC001134727144 830972313 /nfs/dbraw/zinc/97/23/13/830972313.db2.gz ZMKRNYTWGKMYKI-VHSXEESVSA-N 1 0 320.353 -0.692 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001134748820 830974440 /nfs/dbraw/zinc/97/44/40/830974440.db2.gz NNKCUDHFKJPBKZ-CHWSQXEVSA-N 1 0 318.439 -0.056 20 30 DBEDRO Cc1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C(C)C)n1 ZINC001134752050 830974728 /nfs/dbraw/zinc/97/47/28/830974728.db2.gz SVEJNFDRAXOPIE-UHFFFAOYSA-N 1 0 318.381 -0.132 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134765085 830975983 /nfs/dbraw/zinc/97/59/83/830975983.db2.gz VGCMBCXWJZKBQH-CHWSQXEVSA-N 1 0 318.439 -0.056 20 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20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)CN1CCCS1(=O)=O ZINC001178639240 833518888 /nfs/dbraw/zinc/51/88/88/833518888.db2.gz UVMDDAJLPCLEPR-UHFFFAOYSA-N 1 0 315.439 -0.079 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001178678847 833519762 /nfs/dbraw/zinc/51/97/62/833519762.db2.gz UOZJHPJPDUJBDY-IHRRRGAJSA-N 1 0 322.409 -0.371 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178679138 833520210 /nfs/dbraw/zinc/52/02/10/833520210.db2.gz ZRFBDXPWTDQTJZ-AVGNSLFASA-N 1 0 306.366 -0.757 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@]12C[C@H]1COC2 ZINC001178731611 833522119 /nfs/dbraw/zinc/52/21/19/833522119.db2.gz ZTRVREWHKXQBIM-ASHKBJFXSA-N 1 0 306.366 -0.758 20 30 DBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1C ZINC001178753397 833522312 /nfs/dbraw/zinc/52/23/12/833522312.db2.gz MGLCWLUPRSCVIX-WOPDTQHZSA-N 1 0 301.412 -0.474 20 30 DBEDRO CCC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178758416 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C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001265392882 835137100 /nfs/dbraw/zinc/13/71/00/835137100.db2.gz NNGXEUMCQTTZRD-CQSZACIVSA-N 1 0 308.426 -0.225 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 ZINC001200583998 835138369 /nfs/dbraw/zinc/13/83/69/835138369.db2.gz XRUYEQGDXNZADI-CYBMUJFWSA-N 1 0 316.423 -0.186 20 30 DBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCCO1 ZINC001200583871 835138472 /nfs/dbraw/zinc/13/84/72/835138472.db2.gz WOJHVZTWWVPCLC-ZDUSSCGKSA-N 1 0 316.423 -0.186 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2snnc2C)C1 ZINC001265418883 835139294 /nfs/dbraw/zinc/13/92/94/835139294.db2.gz QSFXBHXVGNCJOB-JTQLQIEISA-N 1 0 307.379 -0.600 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001265424711 835139370 /nfs/dbraw/zinc/13/93/70/835139370.db2.gz ZMDPGEMNTJWAIG-NSHDSACASA-N 1 0 304.325 -0.226 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC001265438623 835140286 /nfs/dbraw/zinc/14/02/86/835140286.db2.gz ATVPTSSFAGILHH-JSGCOSHPSA-N 1 0 318.377 -0.064 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001265440445 835140999 /nfs/dbraw/zinc/14/09/99/835140999.db2.gz SDMIRJIBZKYWHG-STQMWFEESA-N 1 0 322.409 -0.605 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCCO1 ZINC001200626928 835140954 /nfs/dbraw/zinc/14/09/54/835140954.db2.gz DZOAKVBCHAGLQC-ZIAGYGMSSA-N 1 0 307.394 -0.305 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001265439023 835141079 /nfs/dbraw/zinc/14/10/79/835141079.db2.gz SAJKERGMICVHEI-RZLSGREXSA-N 1 0 319.405 -0.259 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cncc(C)c2)C1 ZINC001265440463 835141100 /nfs/dbraw/zinc/14/11/00/835141100.db2.gz TXCJXZBBAQEQQO-HNNXBMFYSA-N 1 0 314.389 -0.128 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CCC)c2)C1 ZINC001265448192 835141631 /nfs/dbraw/zinc/14/16/31/835141631.db2.gz NNYPPIQTHTZVFF-AWEZNQCLSA-N 1 0 317.393 -0.153 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3n[nH]nc3n2)CCCO1 ZINC001200641558 835141773 /nfs/dbraw/zinc/14/17/73/835141773.db2.gz FUJRPLFOILZRFX-NSHDSACASA-N 1 0 314.349 -0.193 20 30 DBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001265447953 835141880 /nfs/dbraw/zinc/14/18/80/835141880.db2.gz FCXCGRAMAWWFFL-NEPJUHHUSA-N 1 0 319.427 -0.683 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001265444915 835142055 /nfs/dbraw/zinc/14/20/55/835142055.db2.gz BOEUYELRKGGTOO-MNOVXSKESA-N 1 0 319.365 -0.932 20 30 DBEDRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265459487 835144220 /nfs/dbraw/zinc/14/42/20/835144220.db2.gz BYSSXDDPABNYSM-LBPRGKRZSA-N 1 0 302.396 -0.739 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)CCCO1 ZINC001200673071 835144226 /nfs/dbraw/zinc/14/42/26/835144226.db2.gz KQIWIAAYZFRUHD-KGLIPLIRSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC001265468659 835144306 /nfs/dbraw/zinc/14/43/06/835144306.db2.gz KDRPFLCRNAZCSU-KKOKHZNYSA-N 1 0 309.366 -0.666 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCCCO2)C1 ZINC001265472434 835145026 /nfs/dbraw/zinc/14/50/26/835145026.db2.gz RNZYDVYEFSRKST-AVGNSLFASA-N 1 0 308.382 -0.178 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001265474994 835145060 /nfs/dbraw/zinc/14/50/60/835145060.db2.gz BMALOJPWGSIINH-UBHSHLNASA-N 1 0 315.377 -0.227 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001265472435 835145118 /nfs/dbraw/zinc/14/51/18/835145118.db2.gz RNZYDVYEFSRKST-JHJVBQTASA-N 1 0 308.382 -0.178 20 30 DBEDRO CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001265479924 835145988 /nfs/dbraw/zinc/14/59/88/835145988.db2.gz GLHCCYWUZDRUQK-MGPQQGTHSA-N 1 0 307.394 -0.259 20 30 DBEDRO C=CCn1cccc1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200695811 835146311 /nfs/dbraw/zinc/14/63/11/835146311.db2.gz DNYYEXNCHAUPAG-ZDUSSCGKSA-N 1 0 320.393 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C=CCC[NH2+]CC[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001484520266 1012758460 /nfs/dbraw/zinc/75/84/60/1012758460.db2.gz FKZAAGDTUWNWPO-LBPRGKRZSA-N 1 0 320.397 -0.219 20 30 DBEDRO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001484520265 1012759105 /nfs/dbraw/zinc/75/91/05/1012759105.db2.gz FKZAAGDTUWNWPO-GFCCVEGCSA-N 1 0 320.397 -0.219 20 30 DBEDRO C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484534500 1012760661 /nfs/dbraw/zinc/76/06/61/1012760661.db2.gz YDLGRHWLZGIGGP-CQSZACIVSA-N 1 0 308.426 -0.178 20 30 DBEDRO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001484534589 1012762094 /nfs/dbraw/zinc/76/20/94/1012762094.db2.gz ZZVYRHPLZNNKOH-AWEZNQCLSA-N 1 0 308.426 -0.178 20 30 DBEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001484552065 1012771427 /nfs/dbraw/zinc/77/14/27/1012771427.db2.gz VEXWKPHCQGXSTR-LLVKDONJSA-N 1 0 306.370 -0.609 20 30 DBEDRO C#CCCN1CCOC[C@H]1CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001484595577 1012792207 /nfs/dbraw/zinc/79/22/07/1012792207.db2.gz NBLHMUSMOTURJL-UONOGXRCSA-N 1 0 307.394 -0.305 20 30 DBEDRO C#CCCN1CCOC[C@H]1CNC(=O)C[C@H]1CCN(C)C1=O ZINC001484595578 1012792902 /nfs/dbraw/zinc/79/29/02/1012792902.db2.gz NBLHMUSMOTURJL-ZIAGYGMSSA-N 1 0 307.394 -0.305 20 30 DBEDRO C[C@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC001484627434 1012806037 /nfs/dbraw/zinc/80/60/37/1012806037.db2.gz BCDLNSKKQTWKTC-SNVBAGLBSA-N 1 0 321.381 -0.237 20 30 DBEDRO COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 ZINC001484637226 1012807135 /nfs/dbraw/zinc/80/71/35/1012807135.db2.gz VPILPSWAZHRLCN-CYBMUJFWSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)OCC#C)CCC1 ZINC001484635150 1012808528 /nfs/dbraw/zinc/80/85/28/1012808528.db2.gz WPYILQJCNSKRRA-CYBMUJFWSA-N 1 0 305.378 -0.597 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2conc2C)CCC1 ZINC001484649956 1012810536 /nfs/dbraw/zinc/81/05/36/1012810536.db2.gz SVDJQZSUVAMPFF-UHFFFAOYSA-N 1 0 304.350 -0.025 20 30 DBEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001484671661 1012817598 /nfs/dbraw/zinc/81/75/98/1012817598.db2.gz QJNLSGDEGCQDDT-YPMHNXCESA-N 1 0 308.382 -0.416 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)n2cccn2)CCO1 ZINC001484671321 1012817651 /nfs/dbraw/zinc/81/76/51/1012817651.db2.gz QBSXIOASOSSBFG-CABCVRRESA-N 1 0 320.393 -0.089 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 ZINC001484671771 1012818234 /nfs/dbraw/zinc/81/82/34/1012818234.db2.gz TVCCPIMEJZNDMH-NEPJUHHUSA-N 1 0 304.774 -0.029 20 30 DBEDRO CCC(CC)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484670063 1012818253 /nfs/dbraw/zinc/81/82/53/1012818253.db2.gz GETBVLIILZXEDI-ZDUSSCGKSA-N 1 0 310.398 -0.121 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCCOC)CCO1 ZINC001484672371 1012818706 /nfs/dbraw/zinc/81/87/06/1012818706.db2.gz XTWRXQWVNSRNPW-CQSZACIVSA-N 1 0 314.382 -0.884 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001484673439 1012819654 /nfs/dbraw/zinc/81/96/54/1012819654.db2.gz JJWRRAKHNMRPAP-LBPRGKRZSA-N 1 0 321.381 -0.847 20 30 DBEDRO CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC001484676944 1012821890 /nfs/dbraw/zinc/82/18/90/1012821890.db2.gz GXKOVDJOHLBDEU-CYBMUJFWSA-N 1 0 309.410 -0.059 20 30 DBEDRO C=C(C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484678918 1012823776 /nfs/dbraw/zinc/82/37/76/1012823776.db2.gz SCPMTUOAOHDQIR-CYBMUJFWSA-N 1 0 308.382 -0.201 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)c2ccncc2)CCO1 ZINC001484678988 1012824134 /nfs/dbraw/zinc/82/41/34/1012824134.db2.gz ULHUTRAAJTUIMM-AWEZNQCLSA-N 1 0 318.377 -0.186 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 ZINC001484682230 1012827478 /nfs/dbraw/zinc/82/74/78/1012827478.db2.gz KAEPHMSGDSQZJG-AWEZNQCLSA-N 1 0 303.362 -0.161 20 30 DBEDRO C=CCCCC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001484687949 1012828827 /nfs/dbraw/zinc/82/88/27/1012828827.db2.gz QIAWLQJGKVXFGY-CYBMUJFWSA-N 1 0 308.382 -0.201 20 30 DBEDRO CC1(C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001484687348 1012829485 /nfs/dbraw/zinc/82/94/85/1012829485.db2.gz ALFQJAIVADWDMJ-GFCCVEGCSA-N 1 0 308.382 -0.367 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 ZINC001484691433 1012830444 /nfs/dbraw/zinc/83/04/44/1012830444.db2.gz OPXZNYKYLXODHL-LBPRGKRZSA-N 1 0 321.381 -0.549 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 ZINC001484691432 1012831635 /nfs/dbraw/zinc/83/16/35/1012831635.db2.gz OPXZNYKYLXODHL-GFCCVEGCSA-N 1 0 321.381 -0.549 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001484691422 1012831958 /nfs/dbraw/zinc/83/19/58/1012831958.db2.gz YRBFQPCLUBNVGW-CYBMUJFWSA-N 1 0 319.365 -0.791 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)CCO1 ZINC001484692453 1012833234 /nfs/dbraw/zinc/83/32/34/1012833234.db2.gz HFPNCZOUNKWWFZ-LBPRGKRZSA-N 1 0 320.393 -0.032 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(OC)nn2)CCO1 ZINC001484693525 1012833953 /nfs/dbraw/zinc/83/39/53/1012833953.db2.gz HOQJFJNXJFEXHV-LBPRGKRZSA-N 1 0 304.350 -0.061 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CCOC)c2)CCO1 ZINC001484696973 1012834630 /nfs/dbraw/zinc/83/46/30/1012834630.db2.gz KFPRTCHZFQUPAZ-OAHLLOKOSA-N 1 0 320.393 -0.017 20 30 DBEDRO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+][C@H](C)C(N)=O)C2)nc1 ZINC001484697263 1012835208 /nfs/dbraw/zinc/83/52/08/1012835208.db2.gz SZFTUWNIPTVKEI-DGCLKSJQSA-N 1 0 316.361 -0.633 20 30 DBEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CCO1 ZINC001484696460 1012835554 /nfs/dbraw/zinc/83/55/54/1012835554.db2.gz FHYFNCWWUGGTAV-LBPRGKRZSA-N 1 0 319.427 -0.729 20 30 DBEDRO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCO1 ZINC001484698434 1012835828 /nfs/dbraw/zinc/83/58/28/1012835828.db2.gz YCVLZCNMWGXJLY-GFCCVEGCSA-N 1 0 324.381 -0.679 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001484697175 1012835869 /nfs/dbraw/zinc/83/58/69/1012835869.db2.gz VQHLABSGHMKHRY-WDEREUQCSA-N 1 0 323.353 -0.809 20 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/nfs/dbraw/zinc/86/74/83/1012867483.db2.gz SXOZEZUYTUEKGI-HNNXBMFYSA-N 1 0 304.350 -0.238 20 30 DBEDRO CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001484834257 1012869530 /nfs/dbraw/zinc/86/95/30/1012869530.db2.gz BODVXNQGKQONBJ-WFASDCNBSA-N 1 0 310.398 -0.433 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C2CC=CC2)C1 ZINC001484837037 1012871815 /nfs/dbraw/zinc/87/18/15/1012871815.db2.gz QWLLYWBKURANTK-MRXNPFEDSA-N 1 0 320.393 -0.465 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cc[nH]c2)C1 ZINC001484841705 1012872923 /nfs/dbraw/zinc/87/29/23/1012872923.db2.gz PTZLDWBDWXODCY-INIZCTEOSA-N 1 0 318.377 -0.679 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cc[nH]c2)C1 ZINC001484841707 1012873762 /nfs/dbraw/zinc/87/37/62/1012873762.db2.gz PTZLDWBDWXODCY-MRXNPFEDSA-N 1 0 318.377 -0.679 20 30 DBEDRO C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001484841285 1012873954 /nfs/dbraw/zinc/87/39/54/1012873954.db2.gz KUJQDTGRGSENRI-BBRMVZONSA-N 1 0 309.410 -0.016 20 30 DBEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C(=O)NCC(F)F)C1 ZINC001484846400 1012875263 /nfs/dbraw/zinc/87/52/63/1012875263.db2.gz ZJITWUATTPVZRM-AWEZNQCLSA-N 1 0 317.336 -0.666 20 30 DBEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001484849976 1012876328 /nfs/dbraw/zinc/87/63/28/1012876328.db2.gz BUGFARFFGZJTAU-INIZCTEOSA-N 1 0 309.410 -0.133 20 30 DBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2ccc(C)cc2=O)C1 ZINC001484851473 1012876643 /nfs/dbraw/zinc/87/66/43/1012876643.db2.gz LVHHYLTUFWMHND-QGZVFWFLSA-N 1 0 317.389 -0.267 20 30 DBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001484854326 1012877830 /nfs/dbraw/zinc/87/78/30/1012877830.db2.gz CWAGRIOIFYKCTQ-MRXNPFEDSA-N 1 0 316.361 -0.630 20 30 DBEDRO N#CCNC(=O)C[NH2+]CC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001484863059 1012881365 /nfs/dbraw/zinc/88/13/65/1012881365.db2.gz WLFYBWGHUHEHCR-UHFFFAOYSA-N 1 0 318.377 -0.705 20 30 DBEDRO C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC(=O)N(C)C2)CCOCC1 ZINC001484864057 1012881521 /nfs/dbraw/zinc/88/15/21/1012881521.db2.gz MEFORHAJHLVKRA-CYBMUJFWSA-N 1 0 307.394 -0.257 20 30 DBEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]CC(=O)NC2CC2)CCOCC1 ZINC001484861346 1012881843 /nfs/dbraw/zinc/88/18/43/1012881843.db2.gz PFIQIBIQYDDLEB-LLVKDONJSA-N 1 0 308.382 -0.320 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001484885866 1012887434 /nfs/dbraw/zinc/88/74/34/1012887434.db2.gz WTOGDBAZAQVFMP-SMDDNHRTSA-N 1 0 313.361 -0.314 20 30 DBEDRO C#CCC[NH2+][C@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1C ZINC001484886975 1012887488 /nfs/dbraw/zinc/88/74/88/1012887488.db2.gz IVDKUHQCRDPSGB-STQMWFEESA-N 1 0 305.382 -0.002 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C ZINC001484884490 1012887682 /nfs/dbraw/zinc/88/76/82/1012887682.db2.gz LQIQCWHKLQJNCQ-UONOGXRCSA-N 1 0 324.425 -0.943 20 30 DBEDRO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]CCOCCO ZINC001484885587 1012887937 /nfs/dbraw/zinc/88/79/37/1012887937.db2.gz UHFHUNAYMYCLJE-SMDDNHRTSA-N 1 0 306.366 -0.055 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@@H]1C ZINC001484890659 1012889232 /nfs/dbraw/zinc/88/92/32/1012889232.db2.gz YXOQXJLCOXDZPF-NWDGAFQWSA-N 1 0 301.412 -0.615 20 30 DBEDRO C#CCOCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001484888128 1012889907 /nfs/dbraw/zinc/88/99/07/1012889907.db2.gz NSAVBYSDJZGBKU-OCCSQVGLSA-N 1 0 305.382 -0.209 20 30 DBEDRO C#CCC[NH2+][C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1C ZINC001484890215 1012889991 /nfs/dbraw/zinc/88/99/91/1012889991.db2.gz QLGPZLMYNOADMC-STQMWFEESA-N 1 0 318.377 -0.993 20 30 DBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001484890658 1012890002 /nfs/dbraw/zinc/89/00/02/1012890002.db2.gz YXOQXJLCOXDZPF-NEPJUHHUSA-N 1 0 301.412 -0.615 20 30 DBEDRO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C2)C1 ZINC001484898647 1012890603 /nfs/dbraw/zinc/89/06/03/1012890603.db2.gz AQLQYRGJYJTMLA-QWRGUYRKSA-N 1 0 308.382 -0.026 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(COC)CCC2)C[C@@H]1C ZINC001484894191 1012890795 /nfs/dbraw/zinc/89/07/95/1012890795.db2.gz BPCWOABATVRZST-KBPBESRZSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)C[C@@H]1C ZINC001484892529 1012891338 /nfs/dbraw/zinc/89/13/38/1012891338.db2.gz OGBDXLWFYOMERH-NWDGAFQWSA-N 1 0 302.396 -0.883 20 30 DBEDRO C[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484892695 1012891501 /nfs/dbraw/zinc/89/15/01/1012891501.db2.gz SGEJMDIDRPKFPG-QWRGUYRKSA-N 1 0 304.354 -0.890 20 30 DBEDRO CC#CC[NH2+]C1(C)CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 ZINC001484928355 1012897063 /nfs/dbraw/zinc/89/70/63/1012897063.db2.gz PJXLMPNYSMOFEA-UHFFFAOYSA-N 1 0 318.381 -0.629 20 30 DBEDRO C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001484949709 1012900942 /nfs/dbraw/zinc/90/09/42/1012900942.db2.gz LBEWHSPFJKHYHA-LLVKDONJSA-N 1 0 315.801 -0.039 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)CC2CCC2)CC1 ZINC001484951754 1012901337 /nfs/dbraw/zinc/90/13/37/1012901337.db2.gz SEDDUPNPDBSVLS-UHFFFAOYSA-N 1 0 321.421 -0.131 20 30 DBEDRO CCCCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001484949359 1012901756 /nfs/dbraw/zinc/90/17/56/1012901756.db2.gz QRXZPBKMTCNFCB-UHFFFAOYSA-N 1 0 310.398 -0.241 20 30 DBEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)NC(N)=O)CC1 ZINC001484952636 1012904081 /nfs/dbraw/zinc/90/40/81/1012904081.db2.gz JFJJCBARBKFBHW-LBPRGKRZSA-N 1 0 310.398 -0.600 20 30 DBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CNC(=O)N2CCCC2)CC1 ZINC001484953728 1012907896 /nfs/dbraw/zinc/90/78/96/1012907896.db2.gz YJBIWNXVZOGOQI-UHFFFAOYSA-N 1 0 322.409 -0.632 20 30 DBEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2C)CC1 ZINC001484959331 1012910349 /nfs/dbraw/zinc/91/03/49/1012910349.db2.gz OSSOYCAELSQHSS-CYBMUJFWSA-N 1 0 307.394 -0.426 20 30 DBEDRO C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001484958242 1012911099 /nfs/dbraw/zinc/91/10/99/1012911099.db2.gz LBKFDSHIHOZFMX-ZDUSSCGKSA-N 1 0 324.425 -0.081 20 30 DBEDRO C=CCOCC[NH2+]CC1(O)CCN(C(=O)Cn2cncn2)CC1 ZINC001484964823 1012914914 /nfs/dbraw/zinc/91/49/14/1012914914.db2.gz UWOAFBMCNPRKJR-UHFFFAOYSA-N 1 0 323.397 -0.576 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1cnn(C)c1 ZINC001484988779 1012926248 /nfs/dbraw/zinc/92/62/48/1012926248.db2.gz ZKCBSAXJNIVZJU-NWDGAFQWSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1cnccn1 ZINC001484987164 1012927773 /nfs/dbraw/zinc/92/77/73/1012927773.db2.gz MPDGXEGCQGASEL-RYUDHWBXSA-N 1 0 303.366 -0.288 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1cnn(CC)n1 ZINC001484991698 1012930743 /nfs/dbraw/zinc/93/07/43/1012930743.db2.gz IGAXPTHKCHOPNS-NWDGAFQWSA-N 1 0 320.397 -0.466 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001484994430 1012931405 /nfs/dbraw/zinc/93/14/05/1012931405.db2.gz RDCRIXNKBINMIS-JTQLQIEISA-N 1 0 305.338 -0.970 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001484996000 1012931956 /nfs/dbraw/zinc/93/19/56/1012931956.db2.gz CFTHUXCLKPWVIW-QWHCGFSZSA-N 1 0 322.409 -0.864 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001484994231 1012931978 /nfs/dbraw/zinc/93/19/78/1012931978.db2.gz PJGHMKJYSNAYKL-RWMBFGLXSA-N 1 0 324.425 -0.170 20 30 DBEDRO CC#CC[NH+]1CCC(CO)(NC(=O)c2coc(C(N)=O)c2)CC1 ZINC001485019271 1012950815 /nfs/dbraw/zinc/95/08/15/1012950815.db2.gz DSKOCCCLZIHZOT-UHFFFAOYSA-N 1 0 319.361 -0.042 20 30 DBEDRO C=CCn1cc(C(=O)NC2(CO)CC[NH+](CCO)CC2)nn1 ZINC001485025404 1012957865 /nfs/dbraw/zinc/95/78/65/1012957865.db2.gz ZWRKPZYDTFMYJZ-UHFFFAOYSA-N 1 0 309.370 -0.987 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)CC ZINC001485040532 1012958234 /nfs/dbraw/zinc/95/82/34/1012958234.db2.gz JKGKTDXTTIOWMZ-ZDUSSCGKSA-N 1 0 315.439 -0.128 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001485037141 1012962607 /nfs/dbraw/zinc/96/26/07/1012962607.db2.gz ZEPLXZRHRCBREU-KGLIPLIRSA-N 1 0 320.393 -0.365 20 30 DBEDRO C#CCC[NH2+]CC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001485095416 1012994833 /nfs/dbraw/zinc/99/48/33/1012994833.db2.gz VCZZKBZJCIWOCC-UHFFFAOYSA-N 1 0 318.377 -0.945 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001485104520 1012996731 /nfs/dbraw/zinc/99/67/31/1012996731.db2.gz DSANDXYWWBQDCQ-PNESKVBLSA-N 1 0 317.393 -0.426 20 30 DBEDRO COCC#CC[NH2+]CC1CC(NC(=O)Cn2ccccc2=O)C1 ZINC001485108653 1013000696 /nfs/dbraw/zinc/00/06/96/1013000696.db2.gz QALBWTAPOQQXSH-UHFFFAOYSA-N 1 0 317.389 -0.018 20 30 DBEDRO Cc1ccnc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001485141804 1013017422 /nfs/dbraw/zinc/01/74/22/1013017422.db2.gz ISGWVJLHDZRBHV-QWRGUYRKSA-N 1 0 304.354 -0.479 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnnc(C)c1 ZINC001485141984 1013017840 /nfs/dbraw/zinc/01/78/40/1013017840.db2.gz LEJJYXGLBUSKFR-RYUDHWBXSA-N 1 0 303.366 -0.369 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001485167889 1013035791 /nfs/dbraw/zinc/03/57/91/1013035791.db2.gz GLTDNSUBRYBFFZ-ZJUUUORDSA-N 1 0 320.349 -0.776 20 30 DBEDRO Cc1nc[nH]c(=O)c1C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485184059 1013040840 /nfs/dbraw/zinc/04/08/40/1013040840.db2.gz OAIPOQXHXVJAII-DTWKUNHWSA-N 1 0 320.353 -0.773 20 30 DBEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001485188327 1013043270 /nfs/dbraw/zinc/04/32/70/1013043270.db2.gz CZKIJZDNOWWGFL-BDAKNGLRSA-N 1 0 313.383 -0.823 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccsc1 ZINC001496939600 1017110849 /nfs/dbraw/zinc/11/08/49/1017110849.db2.gz QSIJGXCLPGZOOO-JQWIXIFHSA-N 1 0 309.391 -0.434 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496955959 1017130954 /nfs/dbraw/zinc/13/09/54/1017130954.db2.gz WJMXDTROKVACRY-WDEREUQCSA-N 1 0 313.398 -0.641 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC001496955403 1017131203 /nfs/dbraw/zinc/13/12/03/1017131203.db2.gz PKOMKHQNQUEHIN-SMDDNHRTSA-N 1 0 305.382 -0.054 20 30 DBEDRO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)cn1 ZINC001496958644 1017134474 /nfs/dbraw/zinc/13/44/74/1017134474.db2.gz BUKVLHQHTCWQJK-LBPRGKRZSA-N 1 0 302.338 -0.500 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001496961467 1017136913 /nfs/dbraw/zinc/13/69/13/1017136913.db2.gz PBLUKLTVRXQOCE-WDEREUQCSA-N 1 0 322.365 -0.842 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ocnc1C ZINC001496962595 1017137381 /nfs/dbraw/zinc/13/73/81/1017137381.db2.gz WPLLVGNQXASHAP-WDEREUQCSA-N 1 0 310.354 -0.646 20 30 DBEDRO Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)c2ccc(C#N)[nH]2)cn1 ZINC001496964980 1017141121 /nfs/dbraw/zinc/14/11/21/1017141121.db2.gz MHFLKIIRUPYZCA-ZDUSSCGKSA-N 1 0 314.349 -0.135 20 30 DBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001496976553 1017154583 /nfs/dbraw/zinc/15/45/83/1017154583.db2.gz CUSQFAJAAGTTAJ-CQSZACIVSA-N 1 0 305.378 -0.389 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001496979566 1017161438 /nfs/dbraw/zinc/16/14/38/1017161438.db2.gz SOZCCLVIPVOQSS-VIFPVBQESA-N 1 0 316.793 -0.139 20 30 DBEDRO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C(=O)NC1CCCC1 ZINC001496981382 1017162931 /nfs/dbraw/zinc/16/29/31/1017162931.db2.gz RWVNDEHKXXTWBA-IUODEOHRSA-N 1 0 321.421 -0.086 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001496984133 1017167482 /nfs/dbraw/zinc/16/74/82/1017167482.db2.gz NDPHHQSZLDOGGU-UONOGXRCSA-N 1 0 309.410 -0.133 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001496992812 1017174078 /nfs/dbraw/zinc/17/40/78/1017174078.db2.gz BFNBWDHYSDGKED-RYUDHWBXSA-N 1 0 302.396 -0.956 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(Br)n[nH]1 ZINC001496995458 1017178049 /nfs/dbraw/zinc/17/80/49/1017178049.db2.gz WTUXLHGKYLDTRC-QMMMGPOBSA-N 1 0 315.171 -0.124 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001496997288 1017181183 /nfs/dbraw/zinc/18/11/83/1017181183.db2.gz GSTMPNVGCKUHPW-JSGCOSHPSA-N 1 0 322.434 -0.193 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cc(=O)oc1C ZINC001497018601 1017199115 /nfs/dbraw/zinc/19/91/15/1017199115.db2.gz RMCSJBMLKSYDBP-CYBMUJFWSA-N 1 0 322.361 -0.413 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001497025620 1017204222 /nfs/dbraw/zinc/20/42/22/1017204222.db2.gz PWKJLJKDXPLGBO-GHMZBOCLSA-N 1 0 303.790 -0.278 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccccc1N(C)C(C)=O ZINC001497031084 1017206984 /nfs/dbraw/zinc/20/69/84/1017206984.db2.gz XFNMTAPFUVFRQU-CYBMUJFWSA-N 1 0 303.362 -0.017 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)cc1 ZINC001497032390 1017209258 /nfs/dbraw/zinc/20/92/58/1017209258.db2.gz JIIIUFHJLIPWFX-HNNXBMFYSA-N 1 0 313.361 -0.360 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001497031481 1017209514 /nfs/dbraw/zinc/20/95/14/1017209514.db2.gz AYZFCRCYEHHMHK-ZDUSSCGKSA-N 1 0 315.377 -0.086 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)c1 ZINC001497046142 1017219996 /nfs/dbraw/zinc/21/99/96/1017219996.db2.gz KVGURFDBDNAPSX-CQSZACIVSA-N 1 0 316.361 -0.978 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001497050698 1017224889 /nfs/dbraw/zinc/22/48/89/1017224889.db2.gz KFDGZJJUZITQQW-JTQLQIEISA-N 1 0 302.338 -0.933 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C)cc1 ZINC001497099220 1017267031 /nfs/dbraw/zinc/26/70/31/1017267031.db2.gz ZMISKGMCHXBQCY-DZGCQCFKSA-N 1 0 317.389 -0.187 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001497105476 1017269684 /nfs/dbraw/zinc/26/96/84/1017269684.db2.gz ZIRZTWVUDFAMJN-VIFPVBQESA-N 1 0 303.322 -0.403 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001497105475 1017270308 /nfs/dbraw/zinc/27/03/08/1017270308.db2.gz ZIRZTWVUDFAMJN-SECBINFHSA-N 1 0 303.322 -0.403 20 30 DBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001497239295 1017317863 /nfs/dbraw/zinc/31/78/63/1017317863.db2.gz WDTMXMMQPOGBHE-NWDGAFQWSA-N 1 0 303.428 -0.049 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C2(C(N)=O)CC2)C1=O ZINC001497259139 1017323531 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C#CCC[NH2+]CCN(CC)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001497396429 1017367613 /nfs/dbraw/zinc/36/76/13/1017367613.db2.gz FBLGYBYQVVGTGX-UHFFFAOYSA-N 1 0 306.366 -0.992 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)c1c[nH]c(=O)n1C ZINC001497436907 1017378960 /nfs/dbraw/zinc/37/89/60/1017378960.db2.gz NZHSOYXNDAAEJX-LLVKDONJSA-N 1 0 323.397 -0.132 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)CNC(C)=O)C1=O ZINC001497518463 1017403035 /nfs/dbraw/zinc/40/30/35/1017403035.db2.gz IEZQMUVSBHQFEN-MUBLQREKSA-N 1 0 308.382 -0.829 20 30 DBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccccc1O ZINC001497533453 1017409408 /nfs/dbraw/zinc/40/94/08/1017409408.db2.gz DVRZSHPURTUTOT-ARJAWSKDSA-N 1 0 302.334 -0.092 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C)n1cccn1 ZINC001497536727 1017409684 /nfs/dbraw/zinc/40/96/84/1017409684.db2.gz XXQTWXBDSRMNIW-BUHQSOCUSA-N 1 0 317.393 -0.156 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)CNC(=O)OC)C1=O ZINC001497538519 1017411865 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Cc1cncc(CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)c1 ZINC001497644896 1017453854 /nfs/dbraw/zinc/45/38/54/1017453854.db2.gz RHROUJBTRUIAQT-IHWYPQMZSA-N 1 0 315.377 -0.166 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cc(C)nn1CC ZINC001497685358 1017466850 /nfs/dbraw/zinc/46/68/50/1017466850.db2.gz JVJUQCOLNMIWBL-SREVYHEPSA-N 1 0 317.393 -0.164 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC=CCNC(=O)c1[nH]c(C)nc1C ZINC001497679985 1017467742 /nfs/dbraw/zinc/46/77/42/1017467742.db2.gz JUJHWQTVULUQDY-WAYWQWQTSA-N 1 0 303.366 -0.348 20 30 DBEDRO CC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001497694418 1017469807 /nfs/dbraw/zinc/46/98/07/1017469807.db2.gz IXKDINFSCACGDP-BQYQJAHWSA-N 1 0 301.412 -0.401 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cccc(OC)n1 ZINC001497714222 1017476749 /nfs/dbraw/zinc/47/67/49/1017476749.db2.gz XLSLRIWKAMEJTB-SNAWJCMRSA-N 1 0 316.361 -0.285 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001497727403 1017478778 /nfs/dbraw/zinc/47/87/78/1017478778.db2.gz XRABQIXKSOEADC-GFSGRHGLSA-N 1 0 320.393 -0.686 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001497729473 1017479965 /nfs/dbraw/zinc/47/99/65/1017479965.db2.gz YQADRCLSWQSQCA-AATRIKPKSA-N 1 0 317.393 -0.301 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001497727412 1017480606 /nfs/dbraw/zinc/48/06/06/1017480606.db2.gz XRABQIXKSOEADC-RSNNXLNZSA-N 1 0 320.393 -0.686 20 30 DBEDRO CC#CC[NH2+]C/C=C\CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001497736044 1017482150 /nfs/dbraw/zinc/48/21/50/1017482150.db2.gz ZTHRSJORCWRAEF-GEXIGZQTSA-N 1 0 313.423 -0.256 20 30 DBEDRO C#CCC[NH2+]C/C=C/CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001497734636 1017482489 /nfs/dbraw/zinc/48/24/89/1017482489.db2.gz PHAUUJXXUIMUPX-GJBLVYBDSA-N 1 0 313.423 -0.256 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC(=O)N1C ZINC001497738398 1017483205 /nfs/dbraw/zinc/48/32/05/1017483205.db2.gz KIOOZSWFOCOZLD-MUBLQREKSA-N 1 0 322.409 -0.439 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc[nH]c(=O)c1 ZINC001497802675 1017504201 /nfs/dbraw/zinc/50/42/01/1017504201.db2.gz XZSRTQMBHGCTCY-GHMZBOCLSA-N 1 0 304.350 -0.367 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001497812854 1017507054 /nfs/dbraw/zinc/50/70/54/1017507054.db2.gz VZNJESMQAMGXEE-MNOVXSKESA-N 1 0 306.370 -0.856 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)nc1C1CC1 ZINC001497822102 1017511333 /nfs/dbraw/zinc/51/13/33/1017511333.db2.gz WDBPACZHPYSPFP-SNVBAGLBSA-N 1 0 318.381 -0.355 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC001497817227 1017512744 /nfs/dbraw/zinc/51/27/44/1017512744.db2.gz AOVHTGJPXSNAHZ-LLVKDONJSA-N 1 0 303.366 -0.713 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001497830195 1017518439 /nfs/dbraw/zinc/51/84/39/1017518439.db2.gz XYUQGBICPUWVIL-MNOVXSKESA-N 1 0 319.365 -0.879 20 30 DBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001497868266 1017533884 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DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cc2cc[nH]n2)C1=O ZINC001498026182 1017583507 /nfs/dbraw/zinc/58/35/07/1017583507.db2.gz UXLXONJNZZXVPS-AAEUAGOBSA-N 1 0 305.382 -0.167 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC1OCCCO1 ZINC001498035237 1017585685 /nfs/dbraw/zinc/58/56/85/1017585685.db2.gz ZECNTMJRFFAXSY-NWDGAFQWSA-N 1 0 311.382 -0.628 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn(CC)n1 ZINC001498039340 1017587459 /nfs/dbraw/zinc/58/74/59/1017587459.db2.gz VZNJESMQAMGXEE-QWRGUYRKSA-N 1 0 306.370 -0.856 20 30 DBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CNC(=O)c1ccncc1 ZINC001498049849 1017592963 /nfs/dbraw/zinc/59/29/63/1017592963.db2.gz YAIFHLPETLEXGJ-ZDUSSCGKSA-N 1 0 318.377 -0.445 20 30 DBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001498061688 1017598720 /nfs/dbraw/zinc/59/87/20/1017598720.db2.gz JJNWBMOIGURWKP-NWDGAFQWSA-N 1 0 323.397 -0.157 20 30 DBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001498071047 1017602107 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COCC#CC[NH2+][C@H]1CN(C(=O)CNC(=O)OC)CC1(C)C ZINC001571553943 1026066214 /nfs/dbraw/zinc/06/62/14/1026066214.db2.gz ZXENGDRLFQRGKF-LBPRGKRZSA-N 1 0 311.382 -0.181 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001571556752 1026066741 /nfs/dbraw/zinc/06/67/41/1026066741.db2.gz BPRKWJLAIMPMTM-QWHCGFSZSA-N 1 0 309.410 -0.061 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CC1(C)C ZINC001571552501 1026067541 /nfs/dbraw/zinc/06/75/41/1026067541.db2.gz XZTBMLYGLPRORM-YPMHNXCESA-N 1 0 322.409 -0.913 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1(C)C ZINC001571569127 1026070289 /nfs/dbraw/zinc/07/02/89/1026070289.db2.gz XYRLFDQGLOYIKH-VXGBXAGGSA-N 1 0 313.423 -0.472 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccoc1 ZINC001571575605 1026078772 /nfs/dbraw/zinc/07/87/72/1026078772.db2.gz ZZERHCVVBFVCOS-DGCLKSJQSA-N 1 0 307.350 -0.560 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(F)nc1 ZINC001571576719 1026079724 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CN(CCC[NH2+]Cc1nnnn1C)C(=O)c1c[nH]c(C#N)c1 ZINC001322472799 806742966 /nfs/dbraw/zinc/74/29/66/806742966.db2.gz PVVNBCNTWMORJL-UHFFFAOYSA-N 1 0 302.342 -0.338 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NCCc2ccnn2C)CC1 ZINC001322543217 806750859 /nfs/dbraw/zinc/75/08/59/806750859.db2.gz LIKWUDNBWIMPMV-UHFFFAOYSA-N 1 0 319.409 -0.155 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCNC1=O ZINC001322555372 806752977 /nfs/dbraw/zinc/75/29/77/806752977.db2.gz PPYBTVJVFXCPSR-OLZOCXBDSA-N 1 0 322.409 -0.911 20 30 DBEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC001322570381 806755392 /nfs/dbraw/zinc/75/53/92/806755392.db2.gz SPCUPLSPFHGJBS-OLZOCXBDSA-N 1 0 306.366 -0.662 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000875605477 806758683 /nfs/dbraw/zinc/75/86/83/806758683.db2.gz IDEUXXHEDKPUTA-OCCSQVGLSA-N 1 0 307.394 -0.164 20 30 DBEDRO COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001322603613 806760026 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C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1cncnc1CC ZINC001322835237 806788146 /nfs/dbraw/zinc/78/81/46/806788146.db2.gz LPMARGHGCCGHAX-UHFFFAOYSA-N 1 0 317.393 -0.160 20 30 DBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000876622954 806793462 /nfs/dbraw/zinc/79/34/62/806793462.db2.gz RLMZEWSGAGIFNJ-ZJUUUORDSA-N 1 0 309.819 -0.004 20 30 DBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCCS1(=O)=O ZINC000876636353 806795376 /nfs/dbraw/zinc/79/53/76/806795376.db2.gz VAJAJHQLLFVUKD-JTQLQIEISA-N 1 0 309.819 -0.002 20 30 DBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000876702229 806798647 /nfs/dbraw/zinc/79/86/47/806798647.db2.gz LVFDGPGGSTVWTF-ZJUUUORDSA-N 1 0 314.773 -0.049 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](NC(=O)C1=COCCO1)C1CC1 ZINC001322953190 806802768 /nfs/dbraw/zinc/80/27/68/806802768.db2.gz MYRNMKJBRNGTBW-LBPRGKRZSA-N 1 0 309.366 -0.339 20 30 DBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC000876803229 806806774 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30 DBEDRO C#CCC[NH2+]C[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C1CC1 ZINC001323095223 806823526 /nfs/dbraw/zinc/82/35/26/806823526.db2.gz XDJPMBNGVBDLJZ-LBPRGKRZSA-N 1 0 306.366 -0.612 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1CC ZINC001323128274 806826734 /nfs/dbraw/zinc/82/67/34/806826734.db2.gz FWUCZNWSNBKEMT-VXGBXAGGSA-N 1 0 310.398 -0.619 20 30 DBEDRO C[C@]12CN(C(=O)C#CC3CC[NH2+]CC3)C[C@@]1(C)C(=O)NC2=O ZINC000877143177 806825012 /nfs/dbraw/zinc/82/50/12/806825012.db2.gz HBOPQDNGCOHSRL-IYBDPMFKSA-N 1 0 303.362 -0.499 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1CC ZINC001323128271 806827349 /nfs/dbraw/zinc/82/73/49/806827349.db2.gz FWUCZNWSNBKEMT-NEPJUHHUSA-N 1 0 310.398 -0.619 20 30 DBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000877248154 806828575 /nfs/dbraw/zinc/82/85/75/806828575.db2.gz GXQHZEPYOOPHSJ-MFKMUULPSA-N 1 0 317.773 -0.800 20 30 DBEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ncn(C)n2)CC1 ZINC001323244798 806842163 /nfs/dbraw/zinc/84/21/63/806842163.db2.gz CQQRYODJNXLFMU-UHFFFAOYSA-N 1 0 320.397 -0.412 20 30 DBEDRO C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001323245849 806842807 /nfs/dbraw/zinc/84/28/07/806842807.db2.gz HSYLZQMXTJFORP-OLZOCXBDSA-N 1 0 323.393 -0.083 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 ZINC001323247249 806842899 /nfs/dbraw/zinc/84/28/99/806842899.db2.gz RZXWWBFBBOZTKU-GFCCVEGCSA-N 1 0 308.382 -0.900 20 30 DBEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001323333465 806857859 /nfs/dbraw/zinc/85/78/59/806857859.db2.gz CSUKXOVSIIYUPE-ZIAGYGMSSA-N 1 0 320.437 -0.037 20 30 DBEDRO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000878314215 806854318 /nfs/dbraw/zinc/85/43/18/806854318.db2.gz LUENLGSKSYSOJT-CHWSQXEVSA-N 1 0 301.412 -0.503 20 30 DBEDRO C#CCC[NH+]1CCN(Cc2nnc3c(=O)n(C)ccn23)CC1 ZINC000878312299 806854336 /nfs/dbraw/zinc/85/43/36/806854336.db2.gz JMYGVUUOXHWHDR-UHFFFAOYSA-N 1 0 300.366 -0.431 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001323385131 806865503 /nfs/dbraw/zinc/86/55/03/806865503.db2.gz OICCNRGUTOFZSL-SNVBAGLBSA-N 1 0 319.365 -0.275 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCO2)CC1 ZINC001323384971 806865991 /nfs/dbraw/zinc/86/59/91/806865991.db2.gz MCRWXWGGKXRXFQ-LLVKDONJSA-N 1 0 324.381 -0.584 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CCOC2)CC1 ZINC001323411822 806870543 /nfs/dbraw/zinc/87/05/43/806870543.db2.gz OANSLOVSDBBINZ-STQMWFEESA-N 1 0 307.394 -0.211 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cnn(C)c2)CC1 ZINC001323385603 806866521 /nfs/dbraw/zinc/86/65/21/806866521.db2.gz WQBVJERKRRQZFB-LLVKDONJSA-N 1 0 305.382 -0.037 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cc(C)n[nH]2)CC1 ZINC001323397161 806867703 /nfs/dbraw/zinc/86/77/03/806867703.db2.gz OFILDBJCFDFYOV-LLVKDONJSA-N 1 0 303.366 -0.292 20 30 DBEDRO N#Cc1cc(C(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)c[nH]1 ZINC001323423832 806872261 /nfs/dbraw/zinc/87/22/61/806872261.db2.gz KZXIKMVPKDWKDF-NSHDSACASA-N 1 0 315.333 -0.456 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001323434678 806873630 /nfs/dbraw/zinc/87/36/30/806873630.db2.gz CQOBGGFHUQBRDY-VHSXEESVSA-N 1 0 310.354 -0.976 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cnnn2C)CC1 ZINC001323436167 806873921 /nfs/dbraw/zinc/87/39/21/806873921.db2.gz SYUPDHCVSMGALU-SNVBAGLBSA-N 1 0 306.370 -0.642 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CCNC2=O)CC1 ZINC001323458818 806877299 /nfs/dbraw/zinc/87/72/99/806877299.db2.gz CUCOINNJYXVJSJ-NWDGAFQWSA-N 1 0 322.409 -0.558 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001323458816 806877383 /nfs/dbraw/zinc/87/73/83/806877383.db2.gz CUCOINNJYXVJSJ-NEPJUHHUSA-N 1 0 322.409 -0.558 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001323479052 806878162 /nfs/dbraw/zinc/87/81/62/806878162.db2.gz CVEIWJCYXMRBHM-CHWSQXEVSA-N 1 0 307.394 -0.211 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001323491070 806880245 /nfs/dbraw/zinc/88/02/45/806880245.db2.gz ZNXAFGNUSCGEEG-DYVFJYSZSA-N 1 0 319.405 -0.067 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001323518995 806882992 /nfs/dbraw/zinc/88/29/92/806882992.db2.gz MPWQCHNNWGNOAU-WUHRBBMRSA-N 1 0 305.378 -0.745 20 30 DBEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 ZINC001323532475 806884985 /nfs/dbraw/zinc/88/49/85/806884985.db2.gz FRVRLWPUDONPEL-YNEHKIRRSA-N 1 0 308.382 -0.274 20 30 DBEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535611 806891009 /nfs/dbraw/zinc/89/10/09/806891009.db2.gz PUZDZMAVTHABOJ-GARJFASQSA-N 1 0 304.350 -0.516 20 30 DBEDRO Cc1cc(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)ccn1 ZINC001323579149 806891309 /nfs/dbraw/zinc/89/13/09/806891309.db2.gz DJXXHEWXHBHXHB-UHFFFAOYSA-N 1 0 301.350 -0.118 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)Cc2cncn2C)CC1 ZINC001323592018 806892494 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C#CC[NH2+][C@@H](CO)CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001331757819 807826683 /nfs/dbraw/zinc/82/66/83/807826683.db2.gz MXTHMBDUDNNQRB-LLVKDONJSA-N 1 0 303.322 -0.611 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001331773964 807829849 /nfs/dbraw/zinc/82/98/49/807829849.db2.gz JVIVUXHIFAQNIQ-OCCSQVGLSA-N 1 0 304.394 -0.385 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCCC2 ZINC001331774745 807830623 /nfs/dbraw/zinc/83/06/23/807830623.db2.gz OIUGJLHYAJCHMI-ZDUSSCGKSA-N 1 0 320.393 -0.451 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CC(C)(F)F)C1=O ZINC001331788096 807832832 /nfs/dbraw/zinc/83/28/32/807832832.db2.gz PKHDLIKCHFOKEI-WDEREUQCSA-N 1 0 319.352 -0.115 20 30 DBEDRO CC1(C)CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1 ZINC001331788082 807833271 /nfs/dbraw/zinc/83/32/71/807833271.db2.gz PFOKZAXDHBZXEH-VXGBXAGGSA-N 1 0 310.398 -0.481 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001331792248 807833716 /nfs/dbraw/zinc/83/37/16/807833716.db2.gz ZWKLNPRHLVJWOV-MCIONIFRSA-N 1 0 308.382 -0.422 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccnc(C2CC2)n1 ZINC001331791651 807834285 /nfs/dbraw/zinc/83/42/85/807834285.db2.gz WNWKURKJZJUXSD-CYBMUJFWSA-N 1 0 318.377 -0.316 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccn(C(C)(C)C)c1=O ZINC001331804553 807835218 /nfs/dbraw/zinc/83/52/18/807835218.db2.gz NIIYQLKJYODHJT-LBPRGKRZSA-N 1 0 305.378 -0.083 20 30 DBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cncc(N2CCCC2)n1 ZINC001331806156 807835987 /nfs/dbraw/zinc/83/59/87/807835987.db2.gz WAOYCJRRTNZTEL-GFCCVEGCSA-N 1 0 305.382 -0.057 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1[nH]nc2ccccc21 ZINC001331818204 807837530 /nfs/dbraw/zinc/83/75/30/807837530.db2.gz DKWCIWNRURHMGK-GFCCVEGCSA-N 1 0 316.361 -0.107 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)c1ccc(C)s1 ZINC001331818683 807838041 /nfs/dbraw/zinc/83/80/41/807838041.db2.gz IMGQSRZILIVNMK-LBPRGKRZSA-N 1 0 323.418 -0.124 20 30 DBEDRO Cc1cccc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c1C ZINC001331821378 807838096 /nfs/dbraw/zinc/83/80/96/807838096.db2.gz ZFNDYIWZRHHXCG-CYBMUJFWSA-N 1 0 318.377 -0.376 20 30 DBEDRO CC(C)n1cccc1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331833313 807839771 /nfs/dbraw/zinc/83/97/71/807839771.db2.gz BCDYZTPFAYOBSJ-GFCCVEGCSA-N 1 0 321.381 -0.611 20 30 DBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001331837141 807840386 /nfs/dbraw/zinc/84/03/86/807840386.db2.gz WBTPMFHZBOEHTK-GFCCVEGCSA-N 1 0 308.382 -0.016 20 30 DBEDRO CC(=O)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001331849569 807842917 /nfs/dbraw/zinc/84/29/17/807842917.db2.gz DJESWRCNHVCOML-OLZOCXBDSA-N 1 0 308.382 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2snnc2C)[C@@H]1C ZINC001331851898 807843614 /nfs/dbraw/zinc/84/36/14/807843614.db2.gz LQONLAMRARPFTL-MNOVXSKESA-N 1 0 321.406 -0.211 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001331876234 807846591 /nfs/dbraw/zinc/84/65/91/807846591.db2.gz DXXZVHFFKMXGDP-RISCZKNCSA-N 1 0 313.361 -0.172 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1c[nH]cn1 ZINC001331896024 807848740 /nfs/dbraw/zinc/84/87/40/807848740.db2.gz JQENVUAUFBZSRP-YPMHNXCESA-N 1 0 318.381 -0.439 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC001331918232 807851078 /nfs/dbraw/zinc/85/10/78/807851078.db2.gz JXFFAFLVJSHKHN-BIGJJFBESA-N 1 0 305.378 -0.793 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cc1cnoc1 ZINC001331920184 807851532 /nfs/dbraw/zinc/85/15/32/807851532.db2.gz SLSQEHSWMCZZHG-PWSUYJOCSA-N 1 0 305.338 -0.564 20 30 DBEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001331918864 807852312 /nfs/dbraw/zinc/85/23/12/807852312.db2.gz MCGLDFOZTABGGT-VXGBXAGGSA-N 1 0 318.443 -0.415 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1=COCCO1 ZINC001331953977 807854686 /nfs/dbraw/zinc/85/46/86/807854686.db2.gz NLDQKKDHZFROPI-GHMZBOCLSA-N 1 0 308.338 -0.907 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COCC2CC2)C1 ZINC001331956364 807855571 /nfs/dbraw/zinc/85/55/71/807855571.db2.gz CDAOUZFGIZZZBH-GXTWGEPZSA-N 1 0 307.394 -0.259 20 30 DBEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[NH2+]1 ZINC001331958022 807856110 /nfs/dbraw/zinc/85/61/10/807856110.db2.gz PJVPDIDPWFCURI-DYEKYZERSA-N 1 0 319.409 -0.558 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C)n[nH]2)C1 ZINC001331960374 807856549 /nfs/dbraw/zinc/85/65/49/807856549.db2.gz RZNQXQFNLJZUIO-RYUDHWBXSA-N 1 0 303.366 -0.340 20 30 DBEDRO Cc1c[nH]nc1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001331977659 807857833 /nfs/dbraw/zinc/85/78/33/807857833.db2.gz QGNDQWZVOFTMCW-QWRGUYRKSA-N 1 0 304.354 -0.450 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331990230 807858612 /nfs/dbraw/zinc/85/86/12/807858612.db2.gz IDHDAEFZOGGHCL-NEPJUHHUSA-N 1 0 308.382 -0.320 20 30 DBEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 ZINC001331993964 807859682 /nfs/dbraw/zinc/85/96/82/807859682.db2.gz GNGHVONWOUTMIS-STQMWFEESA-N 1 0 313.423 -0.376 20 30 DBEDRO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 ZINC001331995992 807859787 /nfs/dbraw/zinc/85/97/87/807859787.db2.gz LCGYSBUQLJYXHA-STQMWFEESA-N 1 0 313.423 -0.376 20 30 DBEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cc(F)c[nH]1 ZINC001332006251 807861330 /nfs/dbraw/zinc/86/13/30/807861330.db2.gz CQLRBQFXQRIHJO-KOLCDFICSA-N 1 0 307.329 -0.014 20 30 DBEDRO C=C(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(=O)OCC ZINC001332033131 807863448 /nfs/dbraw/zinc/86/34/48/807863448.db2.gz RIWYRVLOAPJOSI-NEPJUHHUSA-N 1 0 311.382 -0.131 20 30 DBEDRO CN(C)C(=O)Cn1ccc(NC(=O)NCC#CC[NH+](C)C)n1 ZINC000930107231 807864234 /nfs/dbraw/zinc/86/42/34/807864234.db2.gz DAFVZXUEGRJQPO-UHFFFAOYSA-N 1 0 306.370 -0.342 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ccc[nH]2)C1 ZINC001332064653 807868019 /nfs/dbraw/zinc/86/80/19/807868019.db2.gz OHNAYFASDFKFSY-GXTWGEPZSA-N 1 0 302.378 -0.114 20 30 DBEDRO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CS(=O)(=O)NC)C[C@H]21 ZINC001332147069 807878286 /nfs/dbraw/zinc/87/82/86/807878286.db2.gz OFSQXVXUURVIHE-YNEHKIRRSA-N 1 0 313.423 -0.615 20 30 DBEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001332220814 807886516 /nfs/dbraw/zinc/88/65/16/807886516.db2.gz VSNFTINHZHGTED-QWHCGFSZSA-N 1 0 315.439 -0.130 20 30 DBEDRO CC(C)(O)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001332253520 807889931 /nfs/dbraw/zinc/88/99/31/807889931.db2.gz MINBCCOLQKQZLW-VXGBXAGGSA-N 1 0 310.398 -0.338 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001332259055 807890840 /nfs/dbraw/zinc/89/08/40/807890840.db2.gz DDKPMKHOMSMVIW-QWHCGFSZSA-N 1 0 305.382 -0.047 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NC)C2)nn1 ZINC001332309554 807898489 /nfs/dbraw/zinc/89/84/89/807898489.db2.gz KQCGFZIQHBWEGM-RYUDHWBXSA-N 1 0 320.397 -0.302 20 30 DBEDRO C#CCN1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)CC1 ZINC000930913620 807899209 /nfs/dbraw/zinc/89/92/09/807899209.db2.gz DHNKOCVYRXJZCY-RBSFLKMASA-N 1 0 320.437 -0.262 20 30 DBEDRO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC001332339286 807901571 /nfs/dbraw/zinc/90/15/71/807901571.db2.gz HBWJGEHNEGMDHV-CQSZACIVSA-N 1 0 300.362 -0.051 20 30 DBEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001332374308 807907510 /nfs/dbraw/zinc/90/75/10/807907510.db2.gz ZWCNKDGZDOFAFL-INIZCTEOSA-N 1 0 322.409 -0.194 20 30 DBEDRO C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000931144205 807907669 /nfs/dbraw/zinc/90/76/69/807907669.db2.gz SBCJKJBCYPASOK-QWHCGFSZSA-N 1 0 307.394 -0.441 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CCNS(C)(=O)=O)CC1(C)C ZINC001332386506 807910115 /nfs/dbraw/zinc/91/01/15/807910115.db2.gz FTBRSECQVJHTPW-GFCCVEGCSA-N 1 0 315.439 -0.224 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC001332399089 807912805 /nfs/dbraw/zinc/91/28/05/807912805.db2.gz QVLHRRVTMYCOSQ-PWSUYJOCSA-N 1 0 318.381 -0.617 20 30 DBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001332413361 807914750 /nfs/dbraw/zinc/91/47/50/807914750.db2.gz UQDHZZRHVQMAAW-IUODEOHRSA-N 1 0 311.382 -0.898 20 30 DBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001332413362 807914893 /nfs/dbraw/zinc/91/48/93/807914893.db2.gz UQDHZZRHVQMAAW-SWLSCSKDSA-N 1 0 311.382 -0.898 20 30 DBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC1(C)C ZINC001332435834 807918817 /nfs/dbraw/zinc/91/88/17/807918817.db2.gz BIPHIUIFQVIQFM-LBPRGKRZSA-N 1 0 320.393 -0.222 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001332476752 807924125 /nfs/dbraw/zinc/92/41/25/807924125.db2.gz SSTXUNJGPBKURU-CQSZACIVSA-N 1 0 308.382 -0.668 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001332474650 807924240 /nfs/dbraw/zinc/92/42/40/807924240.db2.gz HAOBFOQXUJKOBM-LBPRGKRZSA-N 1 0 321.381 -0.890 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001332492478 807927634 /nfs/dbraw/zinc/92/76/34/807927634.db2.gz ZUSIEIWFRKADSC-VXGBXAGGSA-N 1 0 323.397 -0.569 20 30 DBEDRO C=CCCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001332491222 807927687 /nfs/dbraw/zinc/92/76/87/807927687.db2.gz RJLPNFHYXJESHG-WDEREUQCSA-N 1 0 314.386 -0.794 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccon1 ZINC001332491500 807927983 /nfs/dbraw/zinc/92/79/83/807927983.db2.gz UQMDDHBZUVVLKT-MNOVXSKESA-N 1 0 310.354 -0.612 20 30 DBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(C)ncn1 ZINC001332502633 807928987 /nfs/dbraw/zinc/92/89/87/807928987.db2.gz CLTLSJJJVNVQAQ-HIFRSBDPSA-N 1 0 320.393 -0.268 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001332505004 807929592 /nfs/dbraw/zinc/92/95/92/807929592.db2.gz UBFPRQPMRHMGBR-JSGCOSHPSA-N 1 0 307.394 -0.501 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)C#CC(C)(C)C ZINC001332503921 807929656 /nfs/dbraw/zinc/92/96/56/807929656.db2.gz LXRFXDULXFMALZ-ZDUSSCGKSA-N 1 0 309.410 -0.323 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(C)c1 ZINC001332506533 807930734 /nfs/dbraw/zinc/93/07/34/807930734.db2.gz XCQRYXVEHGFRPU-TZMCWYRMSA-N 1 0 322.409 -0.262 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cccn2nnnc12 ZINC001332518777 807931628 /nfs/dbraw/zinc/93/16/28/807931628.db2.gz VESVZJYYPYTDMP-NSHDSACASA-N 1 0 304.354 -0.277 20 30 DBEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001332527917 807933936 /nfs/dbraw/zinc/93/39/36/807933936.db2.gz FEVPTCPSDKOFBR-JTQLQIEISA-N 1 0 307.341 -0.257 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001332547324 807936388 /nfs/dbraw/zinc/93/63/88/807936388.db2.gz NPJRDBXFXHCOME-NSHDSACASA-N 1 0 307.350 -0.571 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O ZINC001332553563 807937069 /nfs/dbraw/zinc/93/70/69/807937069.db2.gz WCTCCBJQUKGLHN-GFCCVEGCSA-N 1 0 308.382 -0.394 20 30 DBEDRO 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N#C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC001119703267 829294348 /nfs/dbraw/zinc/29/43/48/829294348.db2.gz NATVFUKKERTGGC-WFASDCNBSA-N 1 0 306.366 -0.518 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175286857 833388644 /nfs/dbraw/zinc/38/86/44/833388644.db2.gz BEUYXZVVHPRKBH-XQQFMLRXSA-N 1 0 322.409 -0.878 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175286856 833388783 /nfs/dbraw/zinc/38/87/83/833388783.db2.gz BEUYXZVVHPRKBH-UPJWGTAASA-N 1 0 322.409 -0.878 20 30 DBEDRO C#CCN(C(=O)C(=O)NCC[S@@](C)=O)C1CC[NH+](C)CC1 ZINC001119765836 829301394 /nfs/dbraw/zinc/30/13/94/829301394.db2.gz ZXDNYLPDBHXXFL-OAQYLSRUSA-N 1 0 313.423 -0.963 20 30 DBEDRO C#CCN(C(=O)C(=O)NCc1cc(C)n[nH]1)C1CC[NH+](C)CC1 ZINC001119770107 829302831 /nfs/dbraw/zinc/30/28/31/829302831.db2.gz DAZKPRQYRYWHEC-UHFFFAOYSA-N 1 0 317.393 -0.110 20 30 DBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001175503386 833391056 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964660 830724632 /nfs/dbraw/zinc/72/46/32/830724632.db2.gz ZFZCFQBLSDMBGK-NSHDSACASA-N 1 0 309.370 -0.805 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2cccnc21 ZINC001132981380 830726381 /nfs/dbraw/zinc/72/63/81/830726381.db2.gz WSUYPHQKQYZUDO-GFCCVEGCSA-N 1 0 301.350 -0.543 20 30 DBEDRO C=C(Br)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013604 830733800 /nfs/dbraw/zinc/73/38/00/830733800.db2.gz QNRMNGYRYPCDCX-UHFFFAOYSA-N 1 0 301.144 -0.002 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001133032317 830735349 /nfs/dbraw/zinc/73/53/49/830735349.db2.gz YRUQGYLDNVKMIV-CABCVRRESA-N 1 0 320.437 -0.484 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001133030479 830735495 /nfs/dbraw/zinc/73/54/95/830735495.db2.gz CRKRXUMMWHTOQW-KBPBESRZSA-N 1 0 308.426 -0.322 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(F)ccc1F ZINC001133033945 830736687 /nfs/dbraw/zinc/73/66/87/830736687.db2.gz ULEYIJPCOWMSIF-UHFFFAOYSA-N 1 0 310.304 -0.147 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccnc1C ZINC001133106690 830740070 /nfs/dbraw/zinc/74/00/70/830740070.db2.gz YONNXNKSZAJMLK-UHFFFAOYSA-N 1 0 319.365 -0.279 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)CCCS(N)(=O)=O)cc1 ZINC001133151730 830747159 /nfs/dbraw/zinc/74/71/59/830747159.db2.gz HFLVPWZMHQDVML-UHFFFAOYSA-N 1 0 324.406 -0.167 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001133165196 830748032 /nfs/dbraw/zinc/74/80/32/830748032.db2.gz CRHACRALRROXKR-DGCLKSJQSA-N 1 0 305.378 -0.253 20 30 DBEDRO C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133181969 830748722 /nfs/dbraw/zinc/74/87/22/830748722.db2.gz LVQMGDFLIOTDHW-GHMZBOCLSA-N 1 0 320.353 -0.603 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1C ZINC001133182977 830749924 /nfs/dbraw/zinc/74/99/24/830749924.db2.gz WHYXKCCUWRFMTK-NEPJUHHUSA-N 1 0 319.365 -0.493 20 30 DBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133251987 830760947 /nfs/dbraw/zinc/76/09/47/830760947.db2.gz HLCXUJCEOKQINX-LBPRGKRZSA-N 1 0 313.789 -0.085 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001133300983 830765289 /nfs/dbraw/zinc/76/52/89/830765289.db2.gz BPLGFWYCKUWJAC-STQMWFEESA-N 1 0 305.378 -0.157 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335296 830768531 /nfs/dbraw/zinc/76/85/31/830768531.db2.gz OPZTWVCPANDRLR-UHFFFAOYSA-N 1 0 323.397 -0.130 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001133338390 830770033 /nfs/dbraw/zinc/77/00/33/830770033.db2.gz UZJYFPWRLUJRNF-RYUDHWBXSA-N 1 0 318.381 -0.916 20 30 DBEDRO C=C1CCC(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001133365646 830773249 /nfs/dbraw/zinc/77/32/49/830773249.db2.gz ZXIONURDMGNDCX-UHFFFAOYSA-N 1 0 303.428 -0.012 20 30 DBEDRO C=CCC1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001133395536 830773267 /nfs/dbraw/zinc/77/32/67/830773267.db2.gz OTHBGYLUSGINAU-UHFFFAOYSA-N 1 0 303.428 -0.012 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473324 830778686 /nfs/dbraw/zinc/77/86/86/830778686.db2.gz IAVHDGQHSSLGHR-ABAIWWIYSA-N 1 0 308.382 -0.852 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnccn1 ZINC001133548763 830787709 /nfs/dbraw/zinc/78/77/09/830787709.db2.gz AHSCREMBYVXMKU-VXGBXAGGSA-N 1 0 303.366 -0.288 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CCOCC1 ZINC001133530695 830787936 /nfs/dbraw/zinc/78/79/36/830787936.db2.gz SCGUGTXCMUYMBT-NWDGAFQWSA-N 1 0 310.398 -0.074 20 30 DBEDRO Cc1cnc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)cn1 ZINC001133579064 830788685 /nfs/dbraw/zinc/78/86/85/830788685.db2.gz XTNFRKYDWDQDMG-GHMZBOCLSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC001133597553 830790911 /nfs/dbraw/zinc/79/09/11/830790911.db2.gz SYPVUWVOUKAQTP-HNNXBMFYSA-N 1 0 313.361 -0.360 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001133592753 830791200 /nfs/dbraw/zinc/79/12/00/830791200.db2.gz AIBSTGMGVUUESZ-ZDUSSCGKSA-N 1 0 321.402 -0.183 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001133593005 830791246 /nfs/dbraw/zinc/79/12/46/830791246.db2.gz JTWXFPGCMBPYPW-GFCCVEGCSA-N 1 0 300.318 -0.813 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)c1 ZINC001133597337 830791255 /nfs/dbraw/zinc/79/12/55/830791255.db2.gz OBUCFSGITGRJBB-SNVBAGLBSA-N 1 0 317.349 -0.774 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnccn1)[NH2+]CC(=O)NCC#N ZINC001133600180 830791420 /nfs/dbraw/zinc/79/14/20/830791420.db2.gz RLROKUGHPFXGJH-MNOVXSKESA-N 1 0 304.354 -0.397 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC001133597554 830791480 /nfs/dbraw/zinc/79/14/80/830791480.db2.gz SYPVUWVOUKAQTP-OAHLLOKOSA-N 1 0 313.361 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001133614266 830791988 /nfs/dbraw/zinc/79/19/88/830791988.db2.gz DKFXLRDAWQPNCA-QWRGUYRKSA-N 1 0 319.365 -0.582 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001133614265 830792056 /nfs/dbraw/zinc/79/20/56/830792056.db2.gz DKFXLRDAWQPNCA-MNOVXSKESA-N 1 0 319.365 -0.582 20 30 DBEDRO C=C(Cl)C[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133616021 830793120 /nfs/dbraw/zinc/79/31/20/830793120.db2.gz JYVJBZNOEMMMAE-UHFFFAOYSA-N 1 0 307.763 -0.871 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001133625141 830798056 /nfs/dbraw/zinc/79/80/56/830798056.db2.gz AEFJQDRTEQMPSV-OLZOCXBDSA-N 1 0 318.377 -0.307 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133643227 830801673 /nfs/dbraw/zinc/80/16/73/830801673.db2.gz KEBPNWVMUZSAQP-JTQLQIEISA-N 1 0 314.361 -0.158 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cc1C ZINC001133659653 830802921 /nfs/dbraw/zinc/80/29/21/830802921.db2.gz FRNIIUPNGZGJQY-LLVKDONJSA-N 1 0 304.350 -0.447 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001133672071 830805686 /nfs/dbraw/zinc/80/56/86/830805686.db2.gz ULGPZDCZRUYCCY-VXGBXAGGSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cc(C)on1 ZINC001133673220 830805801 /nfs/dbraw/zinc/80/58/01/830805801.db2.gz BPIDMHACIPTDMC-LBPRGKRZSA-N 1 0 306.366 -0.241 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cccn1 ZINC001133675729 830806206 /nfs/dbraw/zinc/80/62/06/830806206.db2.gz UWMHMSKHJGLDSN-STQMWFEESA-N 1 0 305.382 -0.495 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001133672069 830806365 /nfs/dbraw/zinc/80/63/65/830806365.db2.gz ULGPZDCZRUYCCY-NWDGAFQWSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001133672070 830806750 /nfs/dbraw/zinc/80/67/50/830806750.db2.gz ULGPZDCZRUYCCY-RYUDHWBXSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cncn1 ZINC001133703638 830811359 /nfs/dbraw/zinc/81/13/59/830811359.db2.gz VMKQOJRFNWQUQC-QWHCGFSZSA-N 1 0 320.397 -0.710 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694701 830811982 /nfs/dbraw/zinc/81/19/82/830811982.db2.gz WXSHWXFBFCMXAJ-NWDGAFQWSA-N 1 0 310.398 -0.558 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1C ZINC001133708158 830813235 /nfs/dbraw/zinc/81/32/35/830813235.db2.gz QNOPFXMQLREIIX-NWDGAFQWSA-N 1 0 319.409 -0.036 20 30 DBEDRO Cc1ncncc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133813112 830830738 /nfs/dbraw/zinc/83/07/38/830830738.db2.gz UZZJTOKVHAKERV-QWRGUYRKSA-N 1 0 318.381 -0.089 20 30 DBEDRO Cc1ncncc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133813111 830831207 /nfs/dbraw/zinc/83/12/07/830831207.db2.gz UZZJTOKVHAKERV-MNOVXSKESA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C)n(C)n1 ZINC001133829818 830832005 /nfs/dbraw/zinc/83/20/05/830832005.db2.gz IIJHGSSICMSDMW-RYUDHWBXSA-N 1 0 319.409 -0.036 20 30 DBEDRO Cc1cnn(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC001133843985 830836498 /nfs/dbraw/zinc/83/64/98/830836498.db2.gz LNBYIHSVEFHMHE-STQMWFEESA-N 1 0 320.397 -0.296 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CCC ZINC001133839419 830836716 /nfs/dbraw/zinc/83/67/16/830836716.db2.gz GKVPLADJRWFERK-QWHCGFSZSA-N 1 0 324.425 -0.475 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccncc1Cl ZINC001133868096 830845291 /nfs/dbraw/zinc/84/52/91/830845291.db2.gz ZAKWWITWCSXRAY-UHFFFAOYSA-N 1 0 309.757 -0.377 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001133877490 830848091 /nfs/dbraw/zinc/84/80/91/830848091.db2.gz ZSYOYHALVPKMNO-GFCCVEGCSA-N 1 0 301.350 -0.858 20 30 DBEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133888379 830849754 /nfs/dbraw/zinc/84/97/54/830849754.db2.gz IYYITURWOFYNIG-QWHCGFSZSA-N 1 0 324.425 -0.216 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cnn(C)c1 ZINC001133897327 830850639 /nfs/dbraw/zinc/85/06/39/830850639.db2.gz SVLOGSADHDKNFL-NWDGAFQWSA-N 1 0 320.397 -0.525 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001133893871 830851326 /nfs/dbraw/zinc/85/13/26/830851326.db2.gz VGIKFQRQWCELLF-OLZOCXBDSA-N 1 0 319.409 -0.415 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133910318 830852889 /nfs/dbraw/zinc/85/28/89/830852889.db2.gz YPGXUGMHSWICOC-NXEZZACHSA-N 1 0 300.359 -0.743 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133909323 830853679 /nfs/dbraw/zinc/85/36/79/830853679.db2.gz KACSUYWYLCLUGA-MNOVXSKESA-N 1 0 314.386 -0.483 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133910321 830853717 /nfs/dbraw/zinc/85/37/17/830853717.db2.gz YPGXUGMHSWICOC-ZJUUUORDSA-N 1 0 300.359 -0.743 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001133916288 830854810 /nfs/dbraw/zinc/85/48/10/830854810.db2.gz FWANKVHTIQIBCH-WDEREUQCSA-N 1 0 305.382 -0.046 20 30 DBEDRO COCCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133926310 830858273 /nfs/dbraw/zinc/85/82/73/830858273.db2.gz GMWGUGPHKBYNOL-NEPJUHHUSA-N 1 0 314.386 -0.838 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001133954438 830864256 /nfs/dbraw/zinc/86/42/56/830864256.db2.gz QJKMJSZYIMPVIM-QWRGUYRKSA-N 1 0 318.381 -0.705 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001133954437 830864440 /nfs/dbraw/zinc/86/44/40/830864440.db2.gz QJKMJSZYIMPVIM-MNOVXSKESA-N 1 0 318.381 -0.705 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]CC(=O)NCC#N ZINC001133953381 830864646 /nfs/dbraw/zinc/86/46/46/830864646.db2.gz IFAPMUXDTSZGCD-ZJUUUORDSA-N 1 0 319.369 -0.815 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C(C)(F)F ZINC001133968339 830867548 /nfs/dbraw/zinc/86/75/48/830867548.db2.gz VMVGLFNGFIZOBK-SECBINFHSA-N 1 0 320.340 -0.005 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001133985128 830869553 /nfs/dbraw/zinc/86/95/53/830869553.db2.gz WMWHGPUFESTVFP-OLZOCXBDSA-N 1 0 324.425 -0.065 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1ccon1 ZINC001133987005 830869985 /nfs/dbraw/zinc/86/99/85/830869985.db2.gz CBDZEYSYXGNTAA-RYUDHWBXSA-N 1 0 306.366 -0.161 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134007474 830872649 /nfs/dbraw/zinc/87/26/49/830872649.db2.gz BILJKFDEELCKIK-NSHDSACASA-N 1 0 316.365 -0.261 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1nccc2[nH]ccc21 ZINC001134010664 830873027 /nfs/dbraw/zinc/87/30/27/830873027.db2.gz APGXMAHJORBNMH-UHFFFAOYSA-N 1 0 300.322 -0.478 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134020784 830875991 /nfs/dbraw/zinc/87/59/91/830875991.db2.gz HCKCYNXCSJABFU-UHFFFAOYSA-N 1 0 308.338 -0.583 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134021078 830876024 /nfs/dbraw/zinc/87/60/24/830876024.db2.gz QSMMRVVRKCOWBE-SNVBAGLBSA-N 1 0 320.349 -0.747 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134045740 830883815 /nfs/dbraw/zinc/88/38/15/830883815.db2.gz OPKUTJCMVMRILF-YNEHKIRRSA-N 1 0 317.393 -0.633 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F ZINC001134058412 830885226 /nfs/dbraw/zinc/88/52/26/830885226.db2.gz MSSPULUYFSWVIL-ZJUUUORDSA-N 1 0 323.315 -0.038 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001134062114 830885345 /nfs/dbraw/zinc/88/53/45/830885345.db2.gz SAVQOACXOHLFOP-MXWKQRLJSA-N 1 0 312.370 -0.873 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001134062113 830885433 /nfs/dbraw/zinc/88/54/33/830885433.db2.gz SAVQOACXOHLFOP-AXFHLTTASA-N 1 0 312.370 -0.873 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc[nH]c(=O)c1 ZINC001134073452 830885590 /nfs/dbraw/zinc/88/55/90/830885590.db2.gz RTQKWDCFBYPYON-GHMZBOCLSA-N 1 0 319.365 -0.087 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134090329 830886506 /nfs/dbraw/zinc/88/65/06/830886506.db2.gz KHFODDJBVGYYDB-UHFFFAOYSA-N 1 0 319.365 -0.889 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001134130048 830895196 /nfs/dbraw/zinc/89/51/96/830895196.db2.gz BIZLWEFJMSJMDK-RYUDHWBXSA-N 1 0 320.397 -0.673 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)c2c1CCCC2 ZINC001134129825 830895236 /nfs/dbraw/zinc/89/52/36/830895236.db2.gz SZGWHWPLDANFIU-UHFFFAOYSA-N 1 0 319.409 -0.080 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134129989 830895336 /nfs/dbraw/zinc/89/53/36/830895336.db2.gz ARXPALSFNFYIRB-STQMWFEESA-N 1 0 313.398 -0.992 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCCC ZINC001134130127 830895738 /nfs/dbraw/zinc/89/57/38/830895738.db2.gz CNVARLODDJVKDK-OLZOCXBDSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC ZINC001134130983 830896244 /nfs/dbraw/zinc/89/62/44/830896244.db2.gz OYDOMUMBSXMWAA-NWDGAFQWSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001134130678 830896410 /nfs/dbraw/zinc/89/64/10/830896410.db2.gz LGZCSDJYMOMNFH-NEPJUHHUSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001134131321 830896876 /nfs/dbraw/zinc/89/68/76/830896876.db2.gz UTONFCIJGOXETD-STQMWFEESA-N 1 0 317.393 -0.011 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001134130406 830897033 /nfs/dbraw/zinc/89/70/33/830897033.db2.gz HHPHBUKURWMBAV-CHWSQXEVSA-N 1 0 322.409 -0.699 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001134138328 830898833 /nfs/dbraw/zinc/89/88/33/830898833.db2.gz GIWWUBRBROULSL-DTWKUNHWSA-N 1 0 320.353 -0.432 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134178800 830905752 /nfs/dbraw/zinc/90/57/52/830905752.db2.gz QYNOSGHJLDDPRA-AWEZNQCLSA-N 1 0 324.425 -0.193 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001134194363 830907504 /nfs/dbraw/zinc/90/75/04/830907504.db2.gz SEBXPEXGCZCMOO-OLZOCXBDSA-N 1 0 320.397 -0.710 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]CC(=O)NCC#N ZINC001134198333 830908053 /nfs/dbraw/zinc/90/80/53/830908053.db2.gz WDHUAELLCVBCMI-ZJUUUORDSA-N 1 0 321.385 -0.871 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219171 830910043 /nfs/dbraw/zinc/91/00/43/830910043.db2.gz JRUSLHGOQNXIBZ-MNOVXSKESA-N 1 0 322.365 -0.786 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219347 830910232 /nfs/dbraw/zinc/91/02/32/830910232.db2.gz LQUNJNOIBOGKLQ-MNOVXSKESA-N 1 0 324.381 -0.233 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1ccnn1C ZINC001134224126 830911516 /nfs/dbraw/zinc/91/15/16/830911516.db2.gz PPCIBGCFMLTRGS-STQMWFEESA-N 1 0 319.409 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134228960 830912821 /nfs/dbraw/zinc/91/28/21/830912821.db2.gz RJWDDUOVRUCETB-STQMWFEESA-N 1 0 319.409 -0.035 20 30 DBEDRO CCn1ncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134265228 830915499 /nfs/dbraw/zinc/91/54/99/830915499.db2.gz KWSAWANQYUHQMQ-WDEREUQCSA-N 1 0 321.385 -0.576 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001134266013 830915793 /nfs/dbraw/zinc/91/57/93/830915793.db2.gz RXEQPTGRAAGGTJ-VXGBXAGGSA-N 1 0 320.397 -0.466 20 30 DBEDRO CCn1ncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134265225 830916042 /nfs/dbraw/zinc/91/60/42/830916042.db2.gz KWSAWANQYUHQMQ-GHMZBOCLSA-N 1 0 321.385 -0.576 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C#CC1CC1 ZINC001134321250 830922238 /nfs/dbraw/zinc/92/22/38/830922238.db2.gz GHXFXBZLCHABCS-RYUDHWBXSA-N 1 0 315.439 -0.178 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 ZINC001134323126 830922765 /nfs/dbraw/zinc/92/27/65/830922765.db2.gz YQNXAGVHUSXCFX-RYUDHWBXSA-N 1 0 320.393 -0.176 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134325877 830923009 /nfs/dbraw/zinc/92/30/09/830923009.db2.gz JPNGHBIATZSNLD-MNOVXSKESA-N 1 0 305.382 -0.105 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC12CC2 ZINC001134324091 830923235 /nfs/dbraw/zinc/92/32/35/830923235.db2.gz UFMVBQCCYPVQLI-GHMZBOCLSA-N 1 0 308.382 -0.107 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001134350983 830924601 /nfs/dbraw/zinc/92/46/01/830924601.db2.gz AGJNGWVEEFOPKZ-CHWSQXEVSA-N 1 0 318.439 -0.056 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351121 830924747 /nfs/dbraw/zinc/92/47/47/830924747.db2.gz CCPLHXHZHDQAFK-RYUDHWBXSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCOCC#C ZINC001134351530 830924759 /nfs/dbraw/zinc/92/47/59/830924759.db2.gz HHYZOYBQLSZZRG-ZIAGYGMSSA-N 1 0 307.394 -0.351 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134353524 830926493 /nfs/dbraw/zinc/92/64/93/830926493.db2.gz ZNPLPISPQNYONH-NWDGAFQWSA-N 1 0 318.443 -0.769 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134355339 830927500 /nfs/dbraw/zinc/92/75/00/830927500.db2.gz FICIQHJMHUGSLB-QWRGUYRKSA-N 1 0 320.397 -0.722 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398857 830934384 /nfs/dbraw/zinc/93/43/84/830934384.db2.gz IEYNTTSWCOZZHX-WDEREUQCSA-N 1 0 306.370 -0.727 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487672 830940620 /nfs/dbraw/zinc/94/06/20/830940620.db2.gz XQEORWMMOMNZFA-NSHDSACASA-N 1 0 306.432 -0.557 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134502765 830941860 /nfs/dbraw/zinc/94/18/60/830941860.db2.gz GLLQHIZVDXIKFD-OLZOCXBDSA-N 1 0 324.425 -0.359 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1noc2c1CCCCC2 ZINC001134529036 830947131 /nfs/dbraw/zinc/94/71/31/830947131.db2.gz GIWQCTVQWOKSRD-UHFFFAOYSA-N 1 0 319.365 -0.097 20 30 DBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539793 830947827 /nfs/dbraw/zinc/94/78/27/830947827.db2.gz FEZQUYUKZVHAOH-NWDGAFQWSA-N 1 0 308.382 -0.394 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539802 830947962 /nfs/dbraw/zinc/94/79/62/830947962.db2.gz FJKLBIXHDNECAK-RYUDHWBXSA-N 1 0 306.366 -0.947 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001134581612 830952241 /nfs/dbraw/zinc/95/22/41/830952241.db2.gz HFZVKINCAJKFOL-CQSZACIVSA-N 1 0 319.336 -0.416 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001134681305 830969484 /nfs/dbraw/zinc/96/94/84/830969484.db2.gz VFXVKDDCEQVBSJ-VHSXEESVSA-N 1 0 321.381 -0.340 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001134726972 830972778 /nfs/dbraw/zinc/97/27/78/830972778.db2.gz WQXXFWHJSZRLRP-GHMZBOCLSA-N 1 0 319.365 -0.582 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769903 830977072 /nfs/dbraw/zinc/97/70/72/830977072.db2.gz KWKKLTHYTUCNMX-RYUDHWBXSA-N 1 0 310.398 -0.865 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770685 830977108 /nfs/dbraw/zinc/97/71/08/830977108.db2.gz PYZASFQCOBJBBI-VXGBXAGGSA-N 1 0 312.414 -0.312 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787692 830977584 /nfs/dbraw/zinc/97/75/84/830977584.db2.gz OCRNYDVHNDZOKN-CHWSQXEVSA-N 1 0 323.397 -0.896 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001134813037 830978608 /nfs/dbraw/zinc/97/86/08/830978608.db2.gz XQPLDVGXOJTVFF-ZDUSSCGKSA-N 1 0 310.398 -0.605 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC(=C)C)NC(C)=O ZINC001134821284 830979003 /nfs/dbraw/zinc/97/90/03/830979003.db2.gz MXJMVTNWSHBWPL-TZMCWYRMSA-N 1 0 324.425 -0.146 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCCC ZINC001134816970 830979128 /nfs/dbraw/zinc/97/91/28/830979128.db2.gz JZWPLWZRQYTSRO-CYBMUJFWSA-N 1 0 312.414 -0.311 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001134821133 830979454 /nfs/dbraw/zinc/97/94/54/830979454.db2.gz LDQVYLJGZOHYEB-FZMZJTMJSA-N 1 0 324.425 -0.170 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCOCCO ZINC001134816687 830979604 /nfs/dbraw/zinc/97/96/04/830979604.db2.gz HGNFZPAYGOKSHC-CYBMUJFWSA-N 1 0 301.387 -0.828 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncc(OC)n1 ZINC001134832520 830980391 /nfs/dbraw/zinc/98/03/91/830980391.db2.gz FHIMCWOMZXXPHC-JTQLQIEISA-N 1 0 307.354 -0.505 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(C)ncc1Cl ZINC001134839098 830981152 /nfs/dbraw/zinc/98/11/52/830981152.db2.gz OGHMSQBRQLUQPQ-SECBINFHSA-N 1 0 323.784 -0.104 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C2CC2)nc1 ZINC001134856779 830983160 /nfs/dbraw/zinc/98/31/60/830983160.db2.gz PHEBNHPIHRVTGI-LLVKDONJSA-N 1 0 315.377 -0.189 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134875566 830986609 /nfs/dbraw/zinc/98/66/09/830986609.db2.gz VXKGEWYBFLNOEX-ZDUSSCGKSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134875565 830986951 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COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]n2)[C@H]1C ZINC001179557089 833550407 /nfs/dbraw/zinc/55/04/07/833550407.db2.gz DJHYENRMKXLEJJ-JSGCOSHPSA-N 1 0 305.382 -0.034 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccc(C)n2)[C@H]1C ZINC001179554270 833550525 /nfs/dbraw/zinc/55/05/25/833550525.db2.gz YGGMVPIBGROFRA-KBPBESRZSA-N 1 0 317.393 -0.480 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]2C)nn1 ZINC001179674762 833554677 /nfs/dbraw/zinc/55/46/77/833554677.db2.gz ZHKVKGVNKFFIOX-AVGNSLFASA-N 1 0 323.397 -0.336 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]cn1 ZINC001179689692 833555360 /nfs/dbraw/zinc/55/53/60/833555360.db2.gz JQHBYRAHJDYLRF-UHFFFAOYSA-N 1 0 320.397 -0.142 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179714580 833556391 /nfs/dbraw/zinc/55/63/91/833556391.db2.gz AQLWGWMGOVGYTN-SRVKXCTJSA-N 1 0 318.381 -0.854 20 30 DBEDRO C=CC[NH2+]CCCCCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001179753067 833557798 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DBEDRO Cn1ccc(C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)n1 ZINC001180265285 833577773 /nfs/dbraw/zinc/57/77/73/833577773.db2.gz PXZSGNYHOKEOQK-UHFFFAOYSA-N 1 0 320.397 -0.060 20 30 DBEDRO C=CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001180268465 833577919 /nfs/dbraw/zinc/57/79/19/833577919.db2.gz BVSQGWILZPEJEQ-SRVKXCTJSA-N 1 0 323.397 -0.222 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cn1ccnc1 ZINC001180280349 833579009 /nfs/dbraw/zinc/57/90/09/833579009.db2.gz XNQIPMWXSUYSNJ-RYUDHWBXSA-N 1 0 304.354 -0.898 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)COC)C[C@H]1C ZINC001180344083 833582116 /nfs/dbraw/zinc/58/21/16/833582116.db2.gz IUJMXBICAODKBV-XJKCOSOUSA-N 1 0 309.410 -0.155 20 30 DBEDRO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001180914851 833610802 /nfs/dbraw/zinc/61/08/02/833610802.db2.gz WFWCKOMRXLHHHA-UEKVPHQBSA-N 1 0 320.397 -0.158 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181081632 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/nfs/dbraw/zinc/64/59/19/833645919.db2.gz VIRSQAPNKDKWEL-DGCLKSJQSA-N 1 0 303.366 -0.719 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC001181935702 833648801 /nfs/dbraw/zinc/64/88/01/833648801.db2.gz OMNZQCOKEATUKB-QWHCGFSZSA-N 1 0 308.382 -0.367 20 30 DBEDRO Cc1cc(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001181951162 833649704 /nfs/dbraw/zinc/64/97/04/833649704.db2.gz ZQWWSVNNGDETDZ-LLVKDONJSA-N 1 0 304.354 -0.909 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001182015372 833651321 /nfs/dbraw/zinc/65/13/21/833651321.db2.gz KXQUJPCJFKBQNH-NWDGAFQWSA-N 1 0 305.382 -0.085 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001182032046 833652202 /nfs/dbraw/zinc/65/22/02/833652202.db2.gz APUDONBRBRWROH-UKRRQHHQSA-N 1 0 314.389 -0.048 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC(=O)NC)C1 ZINC001182121994 833658158 /nfs/dbraw/zinc/65/81/58/833658158.db2.gz VBEGCGOHJNXROY-CHWSQXEVSA-N 1 0 322.409 -0.769 20 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CCO[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001182631630 833684341 /nfs/dbraw/zinc/68/43/41/833684341.db2.gz SLBUUFCUALOFRV-TZMCWYRMSA-N 1 0 308.382 -0.368 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182660606 833685765 /nfs/dbraw/zinc/68/57/65/833685765.db2.gz CBYXBKNMFGZGMR-MGPQQGTHSA-N 1 0 307.394 -0.259 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C1 ZINC001182766483 833689008 /nfs/dbraw/zinc/68/90/08/833689008.db2.gz ZGBXPSAMMDAPHR-VXGBXAGGSA-N 1 0 310.398 -0.606 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1C ZINC001182767434 833689181 /nfs/dbraw/zinc/68/91/81/833689181.db2.gz DPQLIPKWDNRDRC-JRPNMDOOSA-N 1 0 308.382 -0.155 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(F)cncc2F)C1 ZINC001182898072 833695105 /nfs/dbraw/zinc/69/51/05/833695105.db2.gz OAHJRJWYZYRMFP-SNVBAGLBSA-N 1 0 322.315 -0.087 20 30 DBEDRO C[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182917544 833695777 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322.405 -0.118 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cnn(C)c1)C1CC1 ZINC001265345787 835132013 /nfs/dbraw/zinc/13/20/13/835132013.db2.gz JRBDYHGEPLKDAD-ZDUSSCGKSA-N 1 0 305.382 -0.180 20 30 DBEDRO C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)c2nnc[nH]2)CC1 ZINC001265334546 835132131 /nfs/dbraw/zinc/13/21/31/835132131.db2.gz UKGULGCJALHGIP-LLVKDONJSA-N 1 0 318.381 -0.309 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cc(C)no1)C1CC1 ZINC001265345634 835132289 /nfs/dbraw/zinc/13/22/89/835132289.db2.gz HLSVHKGLYZNKOT-GFCCVEGCSA-N 1 0 304.350 -0.170 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1cnn(C)c1N)C1CC1 ZINC001265352359 835132959 /nfs/dbraw/zinc/13/29/59/835132959.db2.gz OJJKHBXAFPSIET-GFCCVEGCSA-N 1 0 320.397 -0.598 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)CCCO1 ZINC001200509173 835133026 /nfs/dbraw/zinc/13/30/26/835133026.db2.gz FKPSJQYNKVMRJP-QWHCGFSZSA-N 1 0 310.398 -0.336 20 30 DBEDRO CC(C)C#CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001265353918 835133084 /nfs/dbraw/zinc/13/30/84/835133084.db2.gz IUYJCMJQPPZTFK-QWHCGFSZSA-N 1 0 305.378 -0.065 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 ZINC001200509888 835133185 /nfs/dbraw/zinc/13/31/85/835133185.db2.gz IAWKCBXHADLAPG-OLZOCXBDSA-N 1 0 310.398 -0.336 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001265354140 835133257 /nfs/dbraw/zinc/13/32/57/835133257.db2.gz NHBRILRQLNMMGG-OCCSQVGLSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001265360691 835133810 /nfs/dbraw/zinc/13/38/10/835133810.db2.gz QMPSCIQXKGKVCN-CMPLNLGQSA-N 1 0 322.409 -0.880 20 30 DBEDRO C#CC[NH2+][C@@H](CNC(=O)c1nc(C)n(-c2nc[nH]n2)n1)C1CC1 ZINC001265366427 835134110 /nfs/dbraw/zinc/13/41/10/835134110.db2.gz NRBQXLWGBNXCMG-NSHDSACASA-N 1 0 314.353 -0.575 20 30 DBEDRO Cc1nnccc1C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265362065 835134284 /nfs/dbraw/zinc/13/42/84/835134284.db2.gz GIZJPTJOIUOFMX-CYBMUJFWSA-N 1 0 316.365 -0.477 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1cnn(C)n1)C1CC1 ZINC001265374136 835134982 /nfs/dbraw/zinc/13/49/82/835134982.db2.gz HAJNYDPMBVBEKG-PWSUYJOCSA-N 1 0 318.381 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C)OCC#C)CC1 ZINC001200531591 835135251 /nfs/dbraw/zinc/13/52/51/835135251.db2.gz FYFPVBHPTDXGQK-ZDUSSCGKSA-N 1 0 305.378 -0.645 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CCC([NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001200532365 835135333 /nfs/dbraw/zinc/13/53/33/835135333.db2.gz PLQOKZZBZGZPGM-NWDGAFQWSA-N 1 0 320.397 -0.110 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1n[nH]cc1F)C1CC1 ZINC001265370445 835135450 /nfs/dbraw/zinc/13/54/50/835135450.db2.gz QQAYYRYCLSBRRX-BXKDBHETSA-N 1 0 321.356 -0.215 20 30 DBEDRO C#CCC[NH2+]C1CCN(C(=O)CCS(=O)(=O)NC)CC1 ZINC001200540474 835135491 /nfs/dbraw/zinc/13/54/91/835135491.db2.gz CXOYEVGLPOYNDO-UHFFFAOYSA-N 1 0 301.412 -0.470 20 30 DBEDRO CCn1cnc(C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C2CC2)c1 ZINC001265377697 835136013 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C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001265451166 835141537 /nfs/dbraw/zinc/14/15/37/835141537.db2.gz FKEDHRIWYSYAOH-RYUDHWBXSA-N 1 0 303.366 -0.029 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001265444916 835142074 /nfs/dbraw/zinc/14/20/74/835142074.db2.gz BOEUYELRKGGTOO-QWRGUYRKSA-N 1 0 319.365 -0.932 20 30 DBEDRO CCn1ncc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)c1C ZINC001265451442 835142667 /nfs/dbraw/zinc/14/26/67/835142667.db2.gz OWCSKVKSUPXVTL-LBPRGKRZSA-N 1 0 318.381 -0.345 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(C#C)cn2)C1 ZINC001265456321 835142756 /nfs/dbraw/zinc/14/27/56/835142756.db2.gz OXQLZHRCVZYPGY-AWEZNQCLSA-N 1 0 310.357 -0.384 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNS(=O)(=O)CC)CCCO1 ZINC001200648019 835142953 /nfs/dbraw/zinc/14/29/53/835142953.db2.gz DUEJGTMKQGQEDD-LBPRGKRZSA-N 1 0 319.427 -0.681 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001265462847 835143864 /nfs/dbraw/zinc/14/38/64/835143864.db2.gz PAZQCEZOLCFHCH-UONOGXRCSA-N 1 0 309.410 -0.026 20 30 DBEDRO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001265468668 835143934 /nfs/dbraw/zinc/14/39/34/835143934.db2.gz KNZYDSYOMSODGO-AVGNSLFASA-N 1 0 323.393 -0.301 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001265467233 835144072 /nfs/dbraw/zinc/14/40/72/835144072.db2.gz KSPPOPVZINVFAU-IJLUTSLNSA-N 1 0 303.366 -0.294 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC001265468657 835144475 /nfs/dbraw/zinc/14/44/75/835144475.db2.gz KDRPFLCRNAZCSU-DDHJBXDOSA-N 1 0 309.366 -0.666 20 30 DBEDRO CN(CC[NH2+][C@H]1C[C@H](NC(=O)C#CC2CC2)C1)S(C)(=O)=O ZINC001265476547 835145227 /nfs/dbraw/zinc/14/52/27/835145227.db2.gz HWKJHTYHTAQTSX-JOCQHMNTSA-N 1 0 313.423 -0.472 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2ccnn2)CCCO1 ZINC001200680839 835145533 /nfs/dbraw/zinc/14/55/33/835145533.db2.gz VJZZBDWDJXZXNI-AWEZNQCLSA-N 1 0 305.382 -0.101 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001265483096 835146130 /nfs/dbraw/zinc/14/61/30/835146130.db2.gz JDGLTHRBYKPURY-SRVKXCTJSA-N 1 0 308.382 -0.948 20 30 DBEDRO Cc1nn(C)cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265481355 835146213 /nfs/dbraw/zinc/14/62/13/835146213.db2.gz GEENQQKIARHROX-JOCQHMNTSA-N 1 0 318.381 -0.852 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001265482989 835146297 /nfs/dbraw/zinc/14/62/97/835146297.db2.gz FSKPHVBZFLMLHN-AJNGGQMLSA-N 1 0 320.437 -0.203 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(=O)C2CC2)C1 ZINC001265481459 835146349 /nfs/dbraw/zinc/14/63/49/835146349.db2.gz KDLWKQWSJDPHEI-HDJSIYSDSA-N 1 0 307.394 -0.259 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001265489345 835147245 /nfs/dbraw/zinc/14/72/45/835147245.db2.gz BQNZKKIFSYNHKN-BJDJZHNGSA-N 1 0 308.382 -0.963 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)CCCO1 ZINC001200721059 835147335 /nfs/dbraw/zinc/14/73/35/835147335.db2.gz FVOUXBUFAQOYGJ-CZUORRHYSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2nonc2C)C1 ZINC001265501091 835148113 /nfs/dbraw/zinc/14/81/13/835148113.db2.gz BHWZNYYVWPZHOG-IJLUTSLNSA-N 1 0 319.365 -0.705 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001265497639 835148116 /nfs/dbraw/zinc/14/81/16/835148116.db2.gz RDMWMLYRTNCMDD-JHEVNIALSA-N 1 0 310.398 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[C@@H]2CCCO2)C1 ZINC001265494420 835148133 /nfs/dbraw/zinc/14/81/33/835148133.db2.gz ORXUEDYPVBUZQQ-XUXIUFHCSA-N 1 0 307.394 -0.212 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001265496504 835148161 /nfs/dbraw/zinc/14/81/61/835148161.db2.gz XGPLTCIJJAVZFN-LXFSFDBISA-N 1 0 319.405 -0.048 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCN2CCCC2=O)C1 ZINC001265507363 835148705 /nfs/dbraw/zinc/14/87/05/835148705.db2.gz KEAGTIUBTZQMEX-JOCQHMNTSA-N 1 0 322.409 -0.462 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001200721739 835148804 /nfs/dbraw/zinc/14/88/04/835148804.db2.gz OPMATGHXZMVMOX-CVEARBPZSA-N 1 0 323.437 -0.063 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2C)C1 ZINC001265529945 835149608 /nfs/dbraw/zinc/14/96/08/835149608.db2.gz RIEVAXYAVPQCCE-TXEJJXNPSA-N 1 0 301.350 -0.615 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001265535079 835150655 /nfs/dbraw/zinc/15/06/55/835150655.db2.gz WXYGXGJZLPLLKY-SDDRHHMPSA-N 1 0 318.381 -0.888 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001265531830 835150684 /nfs/dbraw/zinc/15/06/84/835150684.db2.gz XCPXWEUBGGJJRF-BNOWGMLFSA-N 1 0 307.394 -0.212 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001265535232 835150706 /nfs/dbraw/zinc/15/07/06/835150706.db2.gz BYJGMZBZPFVZQD-AOOOYVTPSA-N 1 0 306.322 -0.717 20 30 DBEDRO CC[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CCNC1=O ZINC001265545433 835151668 /nfs/dbraw/zinc/15/16/68/835151668.db2.gz ZKVIXLAOSXSZOR-DVOMOZLQSA-N 1 0 307.394 -0.211 20 30 DBEDRO CC[C@H](C)[C@H](OC)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265546444 835152148 /nfs/dbraw/zinc/15/21/48/835152148.db2.gz MQLSYZVJQMAOGC-FMSGJZPZSA-N 1 0 310.398 -0.076 20 30 DBEDRO C#Cc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)c1 ZINC001265554155 835152168 /nfs/dbraw/zinc/15/21/68/835152168.db2.gz MDJAZPMJELOZFR-BETUJISGSA-N 1 0 314.345 -0.672 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001265560601 835153328 /nfs/dbraw/zinc/15/33/28/835153328.db2.gz XCWMHWIUDOOMFI-MJBXVCDLSA-N 1 0 324.425 -0.170 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CCCO1 ZINC001200824574 835154071 /nfs/dbraw/zinc/15/40/71/835154071.db2.gz OSYADAUJXKQWBG-CQSZACIVSA-N 1 0 303.362 -0.161 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001265575687 835155544 /nfs/dbraw/zinc/15/55/44/835155544.db2.gz KMOMTWAWTDZKCI-CHWSQXEVSA-N 1 0 317.393 -0.011 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001200865963 835156806 /nfs/dbraw/zinc/15/68/06/835156806.db2.gz OBQLMOQJMHVPNP-LBPRGKRZSA-N 1 0 307.354 -0.725 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCCO1 ZINC001200873057 835157407 /nfs/dbraw/zinc/15/74/07/835157407.db2.gz DQRMHCVCKYTXKB-LLVKDONJSA-N 1 0 317.336 -0.402 20 30 DBEDRO C#CCC[NH2+]C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001200878230 835157610 /nfs/dbraw/zinc/15/76/10/835157610.db2.gz IQSGRYUXOFWCEQ-UHFFFAOYSA-N 1 0 301.412 -0.518 20 30 DBEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001265591343 835158218 /nfs/dbraw/zinc/15/82/18/835158218.db2.gz SMWLTNATYRUQHP-NEPJUHHUSA-N 1 0 308.382 -0.913 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 ZINC001200880243 835158424 /nfs/dbraw/zinc/15/84/24/835158424.db2.gz HFWWWXOLQASTHF-AWEZNQCLSA-N 1 0 322.409 -0.368 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)OC)C1 ZINC001265602503 835158617 /nfs/dbraw/zinc/15/86/17/835158617.db2.gz FRGKRDMTUXGFDU-ZIAGYGMSSA-N 1 0 309.410 -0.011 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001265609016 835158719 /nfs/dbraw/zinc/15/87/19/835158719.db2.gz IEYKFDGRGHRXEE-LBPRGKRZSA-N 1 0 320.397 -0.219 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CCCNC2=O)CCCO1 ZINC001200882094 835158734 /nfs/dbraw/zinc/15/87/34/835158734.db2.gz ZWNKHFQHRNUCOH-ZDUSSCGKSA-N 1 0 308.382 -0.758 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001265607889 835158869 /nfs/dbraw/zinc/15/88/69/835158869.db2.gz ZHQKVASTUORLES-CYBMUJFWSA-N 1 0 305.382 -0.093 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC(=O)NCC)C1 ZINC001265607464 835158934 /nfs/dbraw/zinc/15/89/34/835158934.db2.gz QCOFWCSBALJMLW-ZDUSSCGKSA-N 1 0 324.425 -0.357 20 30 DBEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001265646919 835160906 /nfs/dbraw/zinc/16/09/06/835160906.db2.gz HOOAVFPJMFEAGD-CQSZACIVSA-N 1 0 324.425 -0.215 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CCCO1 ZINC001200929989 835161402 /nfs/dbraw/zinc/16/14/02/835161402.db2.gz KDCXCEYLJGXQTO-ZIAGYGMSSA-N 1 0 307.394 -0.115 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)CCCO1 ZINC001200930926 835161464 /nfs/dbraw/zinc/16/14/64/835161464.db2.gz PKWBZFVNGCACPT-LLVKDONJSA-N 1 0 305.334 -0.168 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(OC)n(C)n2)CCCO1 ZINC001200931448 835161527 /nfs/dbraw/zinc/16/15/27/835161527.db2.gz SUZWINGJEAJPLI-LBPRGKRZSA-N 1 0 306.366 -0.117 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CNC(=O)OC ZINC001265663951 835161523 /nfs/dbraw/zinc/16/15/23/835161523.db2.gz OAXZQPWBIQPJBK-ZDUSSCGKSA-N 1 0 311.382 -0.037 20 30 DBEDRO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCOCC1=O ZINC001265648182 835161586 /nfs/dbraw/zinc/16/15/86/835161586.db2.gz ZMNWKWBVGPWCCF-AWEZNQCLSA-N 1 0 307.394 -0.161 20 30 DBEDRO Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)cn1 ZINC001265661926 835161614 /nfs/dbraw/zinc/16/16/14/835161614.db2.gz KYIFSEBASGPAIB-ZDUSSCGKSA-N 1 0 318.381 -0.356 20 30 DBEDRO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001265647968 835161651 /nfs/dbraw/zinc/16/16/51/835161651.db2.gz WLGMSTULQGCWNB-CQSZACIVSA-N 1 0 322.409 -0.767 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC001265672246 835162673 /nfs/dbraw/zinc/16/26/73/835162673.db2.gz VNQZXQWRMSRTGS-CYBMUJFWSA-N 1 0 320.393 -0.296 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001265691213 835163839 /nfs/dbraw/zinc/16/38/39/835163839.db2.gz GVPHUDJLGBMDOV-GFCCVEGCSA-N 1 0 318.381 -0.629 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001265686366 835163861 /nfs/dbraw/zinc/16/38/61/835163861.db2.gz OXTFNNUAUFRSMU-ZDUSSCGKSA-N 1 0 315.377 -0.190 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC(=O)N(C)C1=O ZINC001265687983 835164127 /nfs/dbraw/zinc/16/41/27/835164127.db2.gz KLIDQNBXOKXMRK-ZDUSSCGKSA-N 1 0 320.393 -0.126 20 30 DBEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC001265704035 835165323 /nfs/dbraw/zinc/16/53/23/835165323.db2.gz XXODSSPZSZNWGD-CHWSQXEVSA-N 1 0 317.393 -0.011 20 30 DBEDRO COCC#CC[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201065841 835165851 /nfs/dbraw/zinc/16/58/51/835165851.db2.gz AMBZENKYFSKDEU-UHFFFAOYSA-N 1 0 323.393 -0.924 20 30 DBEDRO COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C#N ZINC001265712857 835166419 /nfs/dbraw/zinc/16/64/19/835166419.db2.gz SOOPIZCLZXJIBA-MEBFFEOJSA-N 1 0 322.409 -0.266 20 30 DBEDRO C=CCOCC[NH2+]C1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001265729467 835166603 /nfs/dbraw/zinc/16/66/03/835166603.db2.gz FVACBYOWTQVSKO-UHFFFAOYSA-N 1 0 308.386 -0.107 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)C(C)(C)C(N)=O)CC1 ZINC001265736124 835167080 /nfs/dbraw/zinc/16/70/80/835167080.db2.gz IMVFWDXVVZHHIJ-UHFFFAOYSA-N 1 0 322.409 -0.736 20 30 DBEDRO C#CC[NH2+]C1CCC(NC(=O)CCS(=O)(=O)N(C)C)CC1 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317.393 -0.027 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccnnc1C ZINC001485895491 1013417066 /nfs/dbraw/zinc/41/70/66/1013417066.db2.gz LLGLDBZISFXFIR-AAEUAGOBSA-N 1 0 317.393 -0.027 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001485895336 1013417409 /nfs/dbraw/zinc/41/74/09/1013417409.db2.gz ZWMHRAQHVNWWTN-LBPRGKRZSA-N 1 0 320.393 -0.262 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001485916954 1013428214 /nfs/dbraw/zinc/42/82/14/1013428214.db2.gz AMEOUMSSUDVEBP-MNOVXSKESA-N 1 0 310.398 -0.621 20 30 DBEDRO COc1ncccc1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485920234 1013433194 /nfs/dbraw/zinc/43/31/94/1013433194.db2.gz RYABCSCWPPCDKL-NSHDSACASA-N 1 0 319.365 -0.220 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1cnc[nH]1 ZINC001485927534 1013435541 /nfs/dbraw/zinc/43/55/41/1013435541.db2.gz PPFMEINKYNEFAT-VXGBXAGGSA-N 1 0 305.382 -0.473 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1c(C)nn(C)c1F 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N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1ccc(F)cc1 ZINC001486058424 1013637979 /nfs/dbraw/zinc/63/79/79/1013637979.db2.gz YOCBOAXJGGHCJW-CYBMUJFWSA-N 1 0 322.340 -0.925 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1COc2ccccc2O1 ZINC001486058099 1013638269 /nfs/dbraw/zinc/63/82/69/1013638269.db2.gz BVWVXVWEEBPITM-SWLSCSKDSA-N 1 0 304.346 -0.084 20 30 DBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cn1c(=O)oc2ccccc21 ZINC001486059862 1013642221 /nfs/dbraw/zinc/64/22/21/1013642221.db2.gz MWBCBBSFGMBYCU-NSHDSACASA-N 1 0 305.334 -0.153 20 30 DBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001486067746 1013654439 /nfs/dbraw/zinc/65/44/39/1013654439.db2.gz HYPCUGLLRZFLLR-LBPRGKRZSA-N 1 0 306.366 -0.173 20 30 DBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001486070984 1013658838 /nfs/dbraw/zinc/65/88/38/1013658838.db2.gz ORZXDILPNSGOFH-VHSXEESVSA-N 1 0 318.337 -0.985 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cccn1C ZINC001486073322 1013658857 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20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2)[C@H]1C ZINC001486087975 1013668221 /nfs/dbraw/zinc/66/82/21/1013668221.db2.gz PXGDMWYMHJYXEM-UONOGXRCSA-N 1 0 317.393 -0.398 20 30 DBEDRO Cc1c(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)cnn1C ZINC001486100450 1013674542 /nfs/dbraw/zinc/67/45/42/1013674542.db2.gz ICVRXGIJUSIJGP-CMPLNLGQSA-N 1 0 318.381 -0.439 20 30 DBEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)Cc1ccon1 ZINC001486107141 1013677161 /nfs/dbraw/zinc/67/71/61/1013677161.db2.gz XGMJTLUZZUWWGC-PWSUYJOCSA-N 1 0 305.338 -0.564 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC001486106847 1013679845 /nfs/dbraw/zinc/67/98/45/1013679845.db2.gz WJWSYQYFFSAKKN-DGCLKSJQSA-N 1 0 305.382 -0.167 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC)C[C@H]2C)nn1 ZINC001486129606 1013688333 /nfs/dbraw/zinc/68/83/33/1013688333.db2.gz NIMPTHKHZXVXCG-GHMZBOCLSA-N 1 0 306.370 -0.597 20 30 DBEDRO CCn1ccc(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)n1 ZINC001486124756 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20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC001491721427 1015591518 /nfs/dbraw/zinc/59/15/18/1015591518.db2.gz JCBKVLBIONBSQL-KBPBESRZSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001491718063 1015592350 /nfs/dbraw/zinc/59/23/50/1015592350.db2.gz UMBDEKSWIVSFDX-LBPRGKRZSA-N 1 0 303.366 -0.420 20 30 DBEDRO CCO[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)C(C)C ZINC001491725142 1015593317 /nfs/dbraw/zinc/59/33/17/1015593317.db2.gz XCWVPOFRSPZPMD-JSGCOSHPSA-N 1 0 310.398 -0.122 20 30 DBEDRO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001378489020 990988784 /nfs/dbraw/zinc/98/87/84/990988784.db2.gz FAGMFFYDCGGTMW-GWCFXTLKSA-N 1 0 306.366 -0.056 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001491765624 1015614949 /nfs/dbraw/zinc/61/49/49/1015614949.db2.gz JERMMJUCVQETRJ-LBPRGKRZSA-N 1 0 318.377 -0.508 20 30 DBEDRO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CSCC#N)C2)C1=O ZINC001491785408 1015620301 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DBEDRO CO[C@H](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491798844 1015628562 /nfs/dbraw/zinc/62/85/62/1015628562.db2.gz ZJGVZHIYDORFDM-CHWSQXEVSA-N 1 0 310.398 -0.121 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491800168 1015628572 /nfs/dbraw/zinc/62/85/72/1015628572.db2.gz GCLKBBFNCDNLNO-CHWSQXEVSA-N 1 0 306.366 -0.897 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001491806477 1015632682 /nfs/dbraw/zinc/63/26/82/1015632682.db2.gz ZOZUMBPPEXFZOL-STQMWFEESA-N 1 0 315.439 -0.224 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC001379182827 991392934 /nfs/dbraw/zinc/39/29/34/991392934.db2.gz GJJRNDIPXKEQKC-MWLCHTKSSA-N 1 0 303.322 -0.051 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001379189886 991399397 /nfs/dbraw/zinc/39/93/97/991399397.db2.gz OWEBVDKAJUKMIX-CABZTGNLSA-N 1 0 319.365 -0.214 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001491810678 1015634540 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ZINC001485108981 1013001908 /nfs/dbraw/zinc/00/19/08/1013001908.db2.gz UTOWMTNMAWPISP-UHFFFAOYSA-N 1 0 324.384 -0.090 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(F)F ZINC001485111079 1013002232 /nfs/dbraw/zinc/00/22/32/1013002232.db2.gz CZMQRXKMVVUPQY-JGVFFNPUSA-N 1 0 306.313 -0.254 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cnnc(C)c1 ZINC001485141982 1013015762 /nfs/dbraw/zinc/01/57/62/1013015762.db2.gz LEJJYXGLBUSKFR-NEPJUHHUSA-N 1 0 303.366 -0.369 20 30 DBEDRO Cc1ccnc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001485141803 1013018100 /nfs/dbraw/zinc/01/81/00/1013018100.db2.gz ISGWVJLHDZRBHV-MNOVXSKESA-N 1 0 304.354 -0.479 20 30 DBEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC001485145009 1013022165 /nfs/dbraw/zinc/02/21/65/1013022165.db2.gz BATLTMSLOBYJGW-MNOVXSKESA-N 1 0 318.381 -0.435 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cnnn1CC ZINC001485146698 1013022790 /nfs/dbraw/zinc/02/27/90/1013022790.db2.gz LARSDCKPCZVRGZ-MNOVXSKESA-N 1 0 308.386 -0.303 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)COc1cc(C)on1 ZINC001485159852 1013028741 /nfs/dbraw/zinc/02/87/41/1013028741.db2.gz KAHYKRALALBCCS-RYUDHWBXSA-N 1 0 322.365 -0.406 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1cncnc1 ZINC001485175862 1013037681 /nfs/dbraw/zinc/03/76/81/1013037681.db2.gz LGKQKQVYMHCMRT-QWHCGFSZSA-N 1 0 317.393 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001485174258 1013039931 /nfs/dbraw/zinc/03/99/31/1013039931.db2.gz KBCZUAQFYHFYFI-NXEZZACHSA-N 1 0 320.349 -0.776 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC(F)(F)F)C1=O ZINC001496954420 1017127828 /nfs/dbraw/zinc/12/78/28/1017127828.db2.gz VFUPCACARWEMSK-UWVGGRQHSA-N 1 0 323.315 -0.208 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496955956 1017129902 /nfs/dbraw/zinc/12/99/02/1017129902.db2.gz WJMXDTROKVACRY-GHMZBOCLSA-N 1 0 313.398 -0.641 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496955957 1017130648 /nfs/dbraw/zinc/13/06/48/1017130648.db2.gz WJMXDTROKVACRY-MNOVXSKESA-N 1 0 313.398 -0.641 20 30 DBEDRO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001496960178 1017132746 /nfs/dbraw/zinc/13/27/46/1017132746.db2.gz HVBNDBHIXSABKH-GFCCVEGCSA-N 1 0 319.365 -0.813 20 30 DBEDRO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496964777 1017138767 /nfs/dbraw/zinc/13/87/67/1017138767.db2.gz KMZGFPWDPLIBKM-CYBMUJFWSA-N 1 0 321.381 -0.661 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1C ZINC001496965701 1017140321 /nfs/dbraw/zinc/14/03/21/1017140321.db2.gz HBPKNMHLCBDRCG-VXGBXAGGSA-N 1 0 308.382 -0.306 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c(C)coc1C ZINC001496976085 1017153198 /nfs/dbraw/zinc/15/31/98/1017153198.db2.gz LOKDBGYCQHEPAF-WCQYABFASA-N 1 0 321.377 -0.285 20 30 DBEDRO C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001496977408 1017154637 /nfs/dbraw/zinc/15/46/37/1017154637.db2.gz NGEOWPMUWRNIEN-MRVPVSSYSA-N 1 0 318.175 -0.596 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1sccc1F ZINC001496978100 1017158676 /nfs/dbraw/zinc/15/86/76/1017158676.db2.gz VXPLNNCOUHFLSO-SECBINFHSA-N 1 0 313.354 -0.683 20 30 DBEDRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C(=O)NC1CCCC1 ZINC001496981388 1017162947 /nfs/dbraw/zinc/16/29/47/1017162947.db2.gz RWVNDEHKXXTWBA-WFASDCNBSA-N 1 0 321.421 -0.086 20 30 DBEDRO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001496985930 1017167412 /nfs/dbraw/zinc/16/74/12/1017167412.db2.gz LYJSSNKOJVQWEN-SNVBAGLBSA-N 1 0 311.386 -0.723 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001496989367 1017171286 /nfs/dbraw/zinc/17/12/86/1017171286.db2.gz AZHOCNBTLUGZRA-GHMZBOCLSA-N 1 0 319.352 -0.209 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2c1oc(=O)n2C ZINC001496994185 1017177827 /nfs/dbraw/zinc/17/78/27/1017177827.db2.gz FQLYOTCPZXJSKR-JTQLQIEISA-N 1 0 303.318 -0.555 20 30 DBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001496995871 1017180682 /nfs/dbraw/zinc/18/06/82/1017180682.db2.gz LIMZGHVCFORPEX-QWHCGFSZSA-N 1 0 318.439 -0.013 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001497009549 1017190480 /nfs/dbraw/zinc/19/04/80/1017190480.db2.gz HPVLAEDSKALFCA-HIFRSBDPSA-N 1 0 320.393 -0.838 20 30 DBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001497012774 1017193207 /nfs/dbraw/zinc/19/32/07/1017193207.db2.gz MOKISWVLIPCIHE-OLZOCXBDSA-N 1 0 318.439 -0.156 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)cc1 ZINC001497013084 1017193956 /nfs/dbraw/zinc/19/39/56/1017193956.db2.gz QGWAITXSRVFEPQ-LBPRGKRZSA-N 1 0 305.334 -0.666 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001497022428 1017201733 /nfs/dbraw/zinc/20/17/33/1017201733.db2.gz LFANWUQURZQISV-JTQLQIEISA-N 1 0 301.350 -0.166 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001497032034 1017210142 /nfs/dbraw/zinc/21/01/42/1017210142.db2.gz HCRHANPGNARDDU-CYBMUJFWSA-N 1 0 315.377 -0.086 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1occc1Cl ZINC001497049386 1017224371 /nfs/dbraw/zinc/22/43/71/1017224371.db2.gz WXJKYMMDVRQEAT-SECBINFHSA-N 1 0 313.741 -0.637 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cncc1C ZINC001497231045 1017317765 /nfs/dbraw/zinc/31/77/65/1017317765.db2.gz OXHWNEPJTLHCAF-LBPRGKRZSA-N 1 0 305.382 -0.575 20 30 DBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001497230121 1017318210 /nfs/dbraw/zinc/31/82/10/1017318210.db2.gz ZOXAORJYMYQKGW-NWDGAFQWSA-N 1 0 323.397 -0.831 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497251710 1017324861 /nfs/dbraw/zinc/32/48/61/1017324861.db2.gz HIPWPVNYAXPEGC-POQQGIQPSA-N 1 0 307.394 -0.499 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001497269241 1017327476 /nfs/dbraw/zinc/32/74/76/1017327476.db2.gz XMRALZJJKMHDQG-UPJWGTAASA-N 1 0 308.382 -0.298 20 30 DBEDRO COc1ncccc1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001497265379 1017328595 /nfs/dbraw/zinc/32/85/95/1017328595.db2.gz VFKITPUKONBRHL-LLVKDONJSA-N 1 0 319.365 -0.172 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1ccnnc1 ZINC001497276198 1017330511 /nfs/dbraw/zinc/33/05/11/1017330511.db2.gz JSELKXUYFFFVQY-NEPJUHHUSA-N 1 0 303.366 -0.288 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cccc(OC)n1 ZINC001497298895 1017334854 /nfs/dbraw/zinc/33/48/54/1017334854.db2.gz GRJFNFWUMCNLKF-LBPRGKRZSA-N 1 0 318.377 -0.062 20 30 DBEDRO CCc1cc(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)no1 ZINC001497307849 1017338727 /nfs/dbraw/zinc/33/87/27/1017338727.db2.gz OPCRODVFDSBMIM-SNVBAGLBSA-N 1 0 307.354 -0.025 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cncnc1CC ZINC001497321243 1017342330 /nfs/dbraw/zinc/34/23/30/1017342330.db2.gz CJNUMPVYAOFBSK-GFCCVEGCSA-N 1 0 317.393 -0.114 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H](C)NC(C)=O)C1=O ZINC001497353401 1017350150 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C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)c1cc[nH]c(=O)c1 ZINC001497555983 1017419410 /nfs/dbraw/zinc/41/94/10/1017419410.db2.gz DNRZSRJASSHHLK-ZYOFXKKJSA-N 1 0 316.361 -0.199 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)c2ncn(C)n2)C1=O ZINC001497576336 1017428576 /nfs/dbraw/zinc/42/85/76/1017428576.db2.gz PZUKURRQPWTQPF-QMAVJUDZSA-N 1 0 318.381 -0.522 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)c2cn(C)nn2)C1=O ZINC001497575254 1017429563 /nfs/dbraw/zinc/42/95/63/1017429563.db2.gz HMMCAACUXZRGFJ-QMAVJUDZSA-N 1 0 318.381 -0.522 20 30 DBEDRO Cc1cc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)c(C)nn1 ZINC001497591164 1017434799 /nfs/dbraw/zinc/43/47/99/1017434799.db2.gz PGUYAXWZQDTUJF-ARJAWSKDSA-N 1 0 316.365 -0.391 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001497600797 1017438160 /nfs/dbraw/zinc/43/81/60/1017438160.db2.gz QWFBSSRQWMNHLO-AGFGORMFSA-N 1 0 322.409 -0.583 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001497601831 1017441067 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DBEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001568202980 1024875440 /nfs/dbraw/zinc/87/54/40/1024875440.db2.gz ZZSFQSJOJAMFDX-GFCCVEGCSA-N 1 0 307.398 -0.091 20 30 DBEDRO CC#CCN1CCO[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001568228013 1024880858 /nfs/dbraw/zinc/88/08/58/1024880858.db2.gz MHORFKUCIJYDMK-CVEARBPZSA-N 1 0 323.437 -0.205 20 30 DBEDRO Cc1c[nH]c(C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCC2)n1 ZINC001568244875 1024882230 /nfs/dbraw/zinc/88/22/30/1024882230.db2.gz SCUQUIZYIHBXIJ-UHFFFAOYSA-N 1 0 318.381 -0.010 20 30 DBEDRO COCC#CC[NH2+]C1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCCC1 ZINC001568239618 1024882361 /nfs/dbraw/zinc/88/23/61/1024882361.db2.gz TVWUGKQPNONJOE-CYBMUJFWSA-N 1 0 322.409 -0.322 20 30 DBEDRO C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)CSCC#N ZINC001568261613 1024883480 /nfs/dbraw/zinc/88/34/80/1024883480.db2.gz ZLPVWDPNHWGWNC-JTQLQIEISA-N 1 0 307.441 -0.276 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cc(C)n[nH]1 ZINC001568259655 1024883845 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CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001568559646 1024940495 /nfs/dbraw/zinc/94/04/95/1024940495.db2.gz JYZKFRLLYJFAQR-GFCCVEGCSA-N 1 0 310.398 -0.872 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001568561902 1024941716 /nfs/dbraw/zinc/94/17/16/1024941716.db2.gz SAYUOLCHWCEZSZ-LSDHHAIUSA-N 1 0 321.421 -0.275 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001568561810 1024942673 /nfs/dbraw/zinc/94/26/73/1024942673.db2.gz QYSHVYCGFHOKES-CBBWQLFWSA-N 1 0 321.421 -0.042 20 30 DBEDRO CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001568560909 1024942737 /nfs/dbraw/zinc/94/27/37/1024942737.db2.gz YXBHTFCCCHBRFB-CYBMUJFWSA-N 1 0 309.410 -0.371 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1csc(NC(C)=O)n1 ZINC001568566966 1024944588 /nfs/dbraw/zinc/94/45/88/1024944588.db2.gz GLJDOIUANJCGAM-JTQLQIEISA-N 1 0 310.379 -0.195 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1c(C)csc1=O ZINC001568563923 1024944827 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C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001568573821 1024948472 /nfs/dbraw/zinc/94/84/72/1024948472.db2.gz VGQUSQIARLJMQN-CQSZACIVSA-N 1 0 316.365 -0.081 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001568573958 1024948917 /nfs/dbraw/zinc/94/89/17/1024948917.db2.gz XTJSOYAWUNTYFT-LLVKDONJSA-N 1 0 324.381 -0.228 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001568576699 1024949917 /nfs/dbraw/zinc/94/99/17/1024949917.db2.gz LPRNQGDMMBLIQF-NEPJUHHUSA-N 1 0 307.398 -0.437 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001568575218 1024949970 /nfs/dbraw/zinc/94/99/70/1024949970.db2.gz UVZLLKYFKJWOSF-RYUDHWBXSA-N 1 0 323.397 -0.900 20 30 DBEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(CC)C1=O ZINC001568575122 1024951052 /nfs/dbraw/zinc/95/10/52/1024951052.db2.gz RVOLNWRWDWLXTF-KBPBESRZSA-N 1 0 309.410 -0.133 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccnc1C ZINC001568577132 1024951568 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C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cn[nH]c1 ZINC001320117254 806441207 /nfs/dbraw/zinc/44/12/07/806441207.db2.gz IGWAWWREIKGAST-DGCLKSJQSA-N 1 0 303.366 -0.353 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cnc(C)[nH]1 ZINC001320128574 806442601 /nfs/dbraw/zinc/44/26/01/806442601.db2.gz MDTOKKRQXDUXRW-QWHCGFSZSA-N 1 0 317.393 -0.044 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC001320169116 806444690 /nfs/dbraw/zinc/44/46/90/806444690.db2.gz JQOPMCKZATYMCT-OLZOCXBDSA-N 1 0 317.393 -0.424 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ncccn1 ZINC001320171308 806445989 /nfs/dbraw/zinc/44/59/89/806445989.db2.gz RKZITLRFZHBXJG-OLZOCXBDSA-N 1 0 315.377 -0.286 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(F)F)C1=O ZINC001320189469 806447642 /nfs/dbraw/zinc/44/76/42/806447642.db2.gz QDATZWGLQTUIGT-UWVGGRQHSA-N 1 0 305.325 -0.505 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CCCCC1 ZINC001320189853 806448286 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-0.029 20 30 DBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001332048694 807866678 /nfs/dbraw/zinc/86/66/78/807866678.db2.gz MDVGEUJPTRIMBD-NEPJUHHUSA-N 1 0 301.412 -0.520 20 30 DBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001332048698 807867289 /nfs/dbraw/zinc/86/72/89/807867289.db2.gz MDVGEUJPTRIMBD-VXGBXAGGSA-N 1 0 301.412 -0.520 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2nonc2C)C1 ZINC001332066396 807868531 /nfs/dbraw/zinc/86/85/31/807868531.db2.gz VZYYCLJXQGURGU-ONGXEEELSA-N 1 0 305.338 -0.680 20 30 DBEDRO COCC#CC[N@@H+]1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 ZINC001332115717 807873245 /nfs/dbraw/zinc/87/32/45/807873245.db2.gz FSLKTQKCXJGVSJ-XJKSGUPXSA-N 1 0 322.409 -0.192 20 30 DBEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCN1C1CC1 ZINC001332117620 807874506 /nfs/dbraw/zinc/87/45/06/807874506.db2.gz XDMRCAZHYYNYCX-JSGCOSHPSA-N 1 0 319.409 -0.618 20 30 DBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C ZINC001332205730 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317.393 -0.044 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001332262458 807891220 /nfs/dbraw/zinc/89/12/20/807891220.db2.gz QEMNICPWSVHCSR-NEPJUHHUSA-N 1 0 320.397 -0.172 20 30 DBEDRO N#C[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCN1C1CC1 ZINC001332305108 807898276 /nfs/dbraw/zinc/89/82/76/807898276.db2.gz ODUZPLBJEOVRCA-AWEZNQCLSA-N 1 0 317.393 -0.779 20 30 DBEDRO CC1(C)CN(C(=O)[C@@H]2CCCO2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001332343681 807902809 /nfs/dbraw/zinc/90/28/09/807902809.db2.gz BRNPOFIEOOPANP-NWDGAFQWSA-N 1 0 308.382 -0.368 20 30 DBEDRO CO[C@@H](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001332358468 807904940 /nfs/dbraw/zinc/90/49/40/807904940.db2.gz UAMHTZVOUUGSAV-RYUDHWBXSA-N 1 0 310.398 -0.122 20 30 DBEDRO CO[C@@H](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001332358466 807905011 /nfs/dbraw/zinc/90/50/11/807905011.db2.gz UAMHTZVOUUGSAV-NWDGAFQWSA-N 1 0 310.398 -0.122 20 30 DBEDRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001332371958 807907255 /nfs/dbraw/zinc/90/72/55/807907255.db2.gz JOZHQGWLNWZMJN-HNNXBMFYSA-N 1 0 310.398 -0.338 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931094241 807907796 /nfs/dbraw/zinc/90/77/96/807907796.db2.gz PMGLLVUCWXXEGJ-WOSRLPQWSA-N 1 0 307.394 -0.449 20 30 DBEDRO CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1C ZINC001332375363 807908688 /nfs/dbraw/zinc/90/86/88/807908688.db2.gz CSSUVDUJJCAREY-HEHGZKQESA-N 1 0 322.409 -0.195 20 30 DBEDRO CNC(=O)NCC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332388448 807911095 /nfs/dbraw/zinc/91/10/95/807911095.db2.gz PJQACKMURGWWLU-LBPRGKRZSA-N 1 0 310.398 -0.608 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC001332399063 807912701 /nfs/dbraw/zinc/91/27/01/807912701.db2.gz QVLHRRVTMYCOSQ-JQWIXIFHSA-N 1 0 318.381 -0.617 20 30 DBEDRO Cc1c[nH]c(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)n1 ZINC001332426382 807916573 /nfs/dbraw/zinc/91/65/73/807916573.db2.gz CRGXFXRLQJSXGW-NSHDSACASA-N 1 0 318.381 -0.202 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1(C)C ZINC001332440723 807918621 /nfs/dbraw/zinc/91/86/21/807918621.db2.gz AITBAWVXEDIJLH-NWDGAFQWSA-N 1 0 313.423 -0.472 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccncc1 ZINC001332472070 807922940 /nfs/dbraw/zinc/92/29/40/807922940.db2.gz PEFCMFPYFCENCC-GXTWGEPZSA-N 1 0 320.393 -0.205 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)c1ccccc1 ZINC001332470436 807923468 /nfs/dbraw/zinc/92/34/68/807923468.db2.gz JLBWDEFQPRAMKB-ZDUSSCGKSA-N 1 0 304.350 -0.651 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C)o1 ZINC001332474606 807924374 /nfs/dbraw/zinc/92/43/74/807924374.db2.gz GOSBGXDFNXNDAP-STQMWFEESA-N 1 0 321.377 -0.252 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(F)nc1 ZINC001332489487 807926612 /nfs/dbraw/zinc/92/66/12/807926612.db2.gz PYTURLLIBFDFDF-ZDUSSCGKSA-N 1 0 309.341 -0.107 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ocnc1C ZINC001332489474 807926877 /nfs/dbraw/zinc/92/68/77/807926877.db2.gz PSVPNXRTPSTGBA-LLVKDONJSA-N 1 0 310.354 -0.692 20 30 DBEDRO CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)C#CC(C)(C)C ZINC001332503005 807928741 /nfs/dbraw/zinc/92/87/41/807928741.db2.gz DTSBVRNAKTXXJE-CYBMUJFWSA-N 1 0 324.425 -0.530 20 30 DBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(C)ncn1 ZINC001332502636 807928843 /nfs/dbraw/zinc/92/88/43/807928843.db2.gz CLTLSJJJVNVQAQ-UKRRQHHQSA-N 1 0 320.393 -0.268 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C)C1=O ZINC001332503822 807928950 /nfs/dbraw/zinc/92/89/50/807928950.db2.gz LWRYLZZBXIXNFK-CABCVRRESA-N 1 0 321.421 -0.158 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccnn1C ZINC001332502208 807928999 /nfs/dbraw/zinc/92/89/99/807928999.db2.gz ARBLFZUDLIWIFN-HIFRSBDPSA-N 1 0 310.398 -0.344 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001332505005 807929666 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C[NH+](C)CCCCC(=O)NC[C@@H](CO)Nc1ccncc1C#N ZINC001121846758 829518189 /nfs/dbraw/zinc/51/81/89/829518189.db2.gz AZNBGXYKEQRUKO-AWEZNQCLSA-N 1 0 319.409 -0.004 20 30 DBEDRO CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)[NH+](C)C ZINC001121840325 829518452 /nfs/dbraw/zinc/51/84/52/829518452.db2.gz RMYCCRGVSNNHEY-WCQYABFASA-N 1 0 320.397 -0.177 20 30 DBEDRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 ZINC001121886911 829523549 /nfs/dbraw/zinc/52/35/49/829523549.db2.gz ANBYTOYQGYAWQD-GFCCVEGCSA-N 1 0 306.370 -0.421 20 30 DBEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176760155 833418314 /nfs/dbraw/zinc/41/83/14/833418314.db2.gz QMCRPNOXKOUBQR-GFCCVEGCSA-N 1 0 320.397 -0.335 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001122081209 829547116 /nfs/dbraw/zinc/54/71/16/829547116.db2.gz OPNMFQULNVTGFY-MNXVOIDGSA-N 1 0 314.407 -0.672 20 30 DBEDRO C[NH+](C)[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)C1CC1 ZINC001122152200 829551918 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20 30 DBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1nccnc1C#N ZINC001122342678 829572896 /nfs/dbraw/zinc/57/28/96/829572896.db2.gz QXUBMQCDSANIOJ-AAEUAGOBSA-N 1 0 318.381 -0.278 20 30 DBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001122342931 829573098 /nfs/dbraw/zinc/57/30/98/829573098.db2.gz TXEXUKADJSKQDK-STQMWFEESA-N 1 0 318.381 -0.278 20 30 DBEDRO C[NH+](C)CCCC(=O)NC[C@@H](CO)Nc1nccnc1C#N ZINC001122416938 829582791 /nfs/dbraw/zinc/58/27/91/829582791.db2.gz QINNHCJDWDVPEZ-NSHDSACASA-N 1 0 306.370 -0.421 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2CC[NH2+]CC2)C1=O ZINC001122471101 829589690 /nfs/dbraw/zinc/58/96/90/829589690.db2.gz NSSGGLADUBNBMQ-UHFFFAOYSA-N 1 0 322.365 -0.579 20 30 DBEDRO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 ZINC001122525606 829593331 /nfs/dbraw/zinc/59/33/31/829593331.db2.gz CSOCZEBPHANMAM-DGCLKSJQSA-N 1 0 318.381 -0.278 20 30 DBEDRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001122525915 829594537 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C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1n1ccnn1 ZINC001129613210 830196550 /nfs/dbraw/zinc/19/65/50/830196550.db2.gz OMLUJMKUMNOSJH-KGLIPLIRSA-N 1 0 320.397 -0.326 20 30 DBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@@H]1n1ccnn1 ZINC001129645953 830198703 /nfs/dbraw/zinc/19/87/03/830198703.db2.gz HZVVTDYKYNOHGE-OLZOCXBDSA-N 1 0 320.397 -0.278 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncc(C)cc1OC ZINC001129665660 830199749 /nfs/dbraw/zinc/19/97/49/830199749.db2.gz WPDGMAIYYPRFJU-GFCCVEGCSA-N 1 0 318.377 -0.144 20 30 DBEDRO Cc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)sc2nccn12 ZINC001129660588 830199955 /nfs/dbraw/zinc/19/99/55/830199955.db2.gz NUKMMZMRURHWIJ-UHFFFAOYSA-N 1 0 320.378 -0.337 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129655840 830199961 /nfs/dbraw/zinc/19/99/61/830199961.db2.gz HTJITVKEDYPYGT-MJBXVCDLSA-N 1 0 303.366 -0.321 20 30 DBEDRO CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129690024 830201485 /nfs/dbraw/zinc/20/14/85/830201485.db2.gz DRAADWCPEZPPSG-XQQFMLRXSA-N 1 0 306.370 -0.184 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1nccc2cccnc21 ZINC001129718373 830204193 /nfs/dbraw/zinc/20/41/93/830204193.db2.gz ATSQXGGWPBJZFW-UHFFFAOYSA-N 1 0 312.333 -0.411 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 ZINC001129762939 830208407 /nfs/dbraw/zinc/20/84/07/830208407.db2.gz UTWMAJNCVBHJFE-KGLIPLIRSA-N 1 0 311.349 -0.253 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001129775752 830209336 /nfs/dbraw/zinc/20/93/36/830209336.db2.gz SPCSMAAOIFOVTH-AWEZNQCLSA-N 1 0 306.410 -0.589 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001129774830 830209652 /nfs/dbraw/zinc/20/96/52/830209652.db2.gz GVQIDOPFCGQNKT-AWEZNQCLSA-N 1 0 306.410 -0.588 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnccc1C ZINC001129787138 830211729 /nfs/dbraw/zinc/21/17/29/830211729.db2.gz ICARSQWEULNEQV-ZDUSSCGKSA-N 1 0 302.378 -0.224 20 30 DBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 ZINC001129798003 830212133 /nfs/dbraw/zinc/21/21/33/830212133.db2.gz KRZUWLLDFUFWRJ-OLZOCXBDSA-N 1 0 320.397 -0.278 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]CC#CC)[C@@H](n2ccnn2)C1 ZINC001129795721 830212349 /nfs/dbraw/zinc/21/23/49/830212349.db2.gz NGSBZWKUHYUWTL-YCPHGPKFSA-N 1 0 317.393 -0.030 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129803485 830213527 /nfs/dbraw/zinc/21/35/27/830213527.db2.gz NMEVNPRAXMVKME-HZSPNIEDSA-N 1 0 305.382 -0.340 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CC2(O)CCC2)C[C@@H]1n1ccnn1 ZINC001129829623 830216436 /nfs/dbraw/zinc/21/64/36/830216436.db2.gz KWQMVKZNPGEZQH-KGLIPLIRSA-N 1 0 317.393 -0.052 20 30 DBEDRO C#CCCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129834261 830217404 /nfs/dbraw/zinc/21/74/04/830217404.db2.gz SGVGROPHXIJHKT-UPJWGTAASA-N 1 0 318.381 -0.703 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nc(CC)c[nH]1 ZINC001129831486 830217879 /nfs/dbraw/zinc/21/78/79/830217879.db2.gz WZVHPAARWZRAEC-NSHDSACASA-N 1 0 307.398 -0.089 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129875783 830222026 /nfs/dbraw/zinc/22/20/26/830222026.db2.gz YRTKFKFMCYJBGQ-IAQYHMDHSA-N 1 0 310.398 -0.701 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129897696 830225798 /nfs/dbraw/zinc/22/57/98/830225798.db2.gz NCRXNLZDMMCLTQ-NSHDSACASA-N 1 0 321.381 -0.577 20 30 DBEDRO Cc1ccn2ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2c1 ZINC001129924148 830229414 /nfs/dbraw/zinc/22/94/14/830229414.db2.gz NUMJLCQCXWCMTH-UHFFFAOYSA-N 1 0 314.349 -0.398 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn2ccc(C)cc12 ZINC001129924206 830229616 /nfs/dbraw/zinc/22/96/16/830229616.db2.gz QTPYHIOKJSGRKK-UHFFFAOYSA-N 1 0 313.361 -0.288 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1snnc1C1CC1 ZINC001129933035 830230266 /nfs/dbraw/zinc/23/02/66/830230266.db2.gz DQUJGJMDOFVGKY-UHFFFAOYSA-N 1 0 307.379 -0.516 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCNC1=O ZINC001129956860 830235199 /nfs/dbraw/zinc/23/51/99/830235199.db2.gz FRAHAQLJXXSMGK-CYBMUJFWSA-N 1 0 322.409 -0.581 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129956976 830235344 /nfs/dbraw/zinc/23/53/44/830235344.db2.gz QMBZQCOKFJPHIS-TUVASFSCSA-N 1 0 317.393 -0.075 20 30 DBEDRO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129959405 830237097 /nfs/dbraw/zinc/23/70/97/830237097.db2.gz URAWFBLEVPHGGO-NEPJUHHUSA-N 1 0 320.397 -0.422 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2cc[nH]c2n1 ZINC001129973828 830238047 /nfs/dbraw/zinc/23/80/47/830238047.db2.gz ORBQJOKNQDUTKP-UHFFFAOYSA-N 1 0 300.322 -0.478 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129977823 830239390 /nfs/dbraw/zinc/23/93/90/830239390.db2.gz HHRVKIRDKYFMHC-VNHYZAJKSA-N 1 0 321.356 -0.229 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001129996111 830243636 /nfs/dbraw/zinc/24/36/36/830243636.db2.gz BDVZGCGUEPLPDP-JTQLQIEISA-N 1 0 307.354 -0.470 20 30 DBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002863 830244585 /nfs/dbraw/zinc/24/45/85/830244585.db2.gz UHIXZEIBGLMRDF-HZSPNIEDSA-N 1 0 323.397 -0.143 20 30 DBEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002651 830244684 /nfs/dbraw/zinc/24/46/84/830244684.db2.gz LQZJUPVEHIKULU-FRRDWIJNSA-N 1 0 309.370 -0.533 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002794 830244858 /nfs/dbraw/zinc/24/48/58/830244858.db2.gz RIWQGUPIVSBEFT-RDBSUJKOSA-N 1 0 323.397 -0.143 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(F)(F)F)no1 ZINC001130003378 830244908 /nfs/dbraw/zinc/24/49/08/830244908.db2.gz CRCMOVWMBYGAAK-UHFFFAOYSA-N 1 0 318.255 -0.238 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(CC(F)F)n1 ZINC001130008391 830245047 /nfs/dbraw/zinc/24/50/47/830245047.db2.gz MXBUWAHEWNOVGT-UHFFFAOYSA-N 1 0 313.308 -0.783 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130024570 830247259 /nfs/dbraw/zinc/24/72/59/830247259.db2.gz WXNRPNDINWSIPW-KGLIPLIRSA-N 1 0 313.365 -0.391 20 30 DBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130033144 830248592 /nfs/dbraw/zinc/24/85/92/830248592.db2.gz WKTOFNQDSZXNGZ-NEPJUHHUSA-N 1 0 306.370 -0.716 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035318 830249702 /nfs/dbraw/zinc/24/97/02/830249702.db2.gz PPZSFPIHHRPCJM-CYBMUJFWSA-N 1 0 324.425 -0.215 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1nccn1C ZINC001130041444 830251372 /nfs/dbraw/zinc/25/13/72/830251372.db2.gz MIIJWGGTWRKRGM-GFCCVEGCSA-N 1 0 323.397 -0.667 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041282 830251839 /nfs/dbraw/zinc/25/18/39/830251839.db2.gz HNYOQTJFOKSJIS-NEPJUHHUSA-N 1 0 310.398 -0.749 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 ZINC001130047928 830252743 /nfs/dbraw/zinc/25/27/43/830252743.db2.gz ZTAQYENCFYBTSW-NEPJUHHUSA-N 1 0 301.310 -0.660 20 30 DBEDRO CC[NH+](CC)CC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001130054843 830254898 /nfs/dbraw/zinc/25/48/98/830254898.db2.gz SFRFXVGUZICLHZ-OLZOCXBDSA-N 1 0 305.386 -0.515 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130076932 830260598 /nfs/dbraw/zinc/26/05/98/830260598.db2.gz IVLHJZGAQADEAC-UHFFFAOYSA-N 1 0 320.353 -0.736 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(OCC)n[nH]1 ZINC001130109697 830264464 /nfs/dbraw/zinc/26/44/64/830264464.db2.gz VWOLMQQYCGQITB-SNVBAGLBSA-N 1 0 307.354 -0.734 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1cc(C)on1 ZINC001130116797 830265430 /nfs/dbraw/zinc/26/54/30/830265430.db2.gz PQVARCIXVWTBQJ-LBPRGKRZSA-N 1 0 322.365 -0.657 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc2nc[nH]c2n1 ZINC001130122361 830267778 /nfs/dbraw/zinc/26/77/78/830267778.db2.gz RAFAJEMNNPAXHJ-UHFFFAOYSA-N 1 0 302.338 -0.421 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001130137220 830270105 /nfs/dbraw/zinc/27/01/05/830270105.db2.gz NVGOCTZIIXVAOU-OLZOCXBDSA-N 1 0 305.386 -0.517 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@@H]1n1ccnn1 ZINC001130151204 830270481 /nfs/dbraw/zinc/27/04/81/830270481.db2.gz IXHXMFSGMDEHDP-MJBXVCDLSA-N 1 0 303.366 -0.156 20 30 DBEDRO C=CCCOCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130150809 830270907 /nfs/dbraw/zinc/27/09/07/830270907.db2.gz AKCLFUYHGWAKSG-OLZOCXBDSA-N 1 0 309.370 -0.795 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc2cccn2cn1 ZINC001130141688 830270925 /nfs/dbraw/zinc/27/09/25/830270925.db2.gz GJOCSYYXDYGYHJ-GFCCVEGCSA-N 1 0 313.361 -0.208 20 30 DBEDRO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130151233 830271248 /nfs/dbraw/zinc/27/12/48/830271248.db2.gz KHBIOKVLWPEEGB-UPJWGTAASA-N 1 0 309.370 -0.797 20 30 DBEDRO Cc1cn(C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001130165211 830272342 /nfs/dbraw/zinc/27/23/42/830272342.db2.gz SKZLJYKLUHPWJK-UHFFFAOYSA-N 1 0 306.370 -0.728 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130167614 830272594 /nfs/dbraw/zinc/27/25/94/830272594.db2.gz YJMCKVQGZYPQDS-ZDUSSCGKSA-N 1 0 319.409 -0.230 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncc(OC)c1C ZINC001130244025 830286391 /nfs/dbraw/zinc/28/63/91/830286391.db2.gz NAHLYSUEAVMSRW-UHFFFAOYSA-N 1 0 304.350 -0.533 20 30 DBEDRO Cc1nc2sccn2c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130239036 830286889 /nfs/dbraw/zinc/28/68/89/830286889.db2.gz WQXIMYWHUDQYRQ-UHFFFAOYSA-N 1 0 320.378 -0.337 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001181310392 833626681 /nfs/dbraw/zinc/62/66/81/833626681.db2.gz VVJHEKWFSBBJLF-CHWSQXEVSA-N 1 0 310.398 -0.026 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180781147 833602379 /nfs/dbraw/zinc/60/23/79/833602379.db2.gz ZNLRZUIQWJLRGW-TZMCWYRMSA-N 1 0 318.377 -0.185 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180781145 833602631 /nfs/dbraw/zinc/60/26/31/833602631.db2.gz ZNLRZUIQWJLRGW-GXTWGEPZSA-N 1 0 318.377 -0.185 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180780498 833602819 /nfs/dbraw/zinc/60/28/19/833602819.db2.gz PTIMSDZKMURGFK-TZMCWYRMSA-N 1 0 316.361 -0.738 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001180795552 833603451 /nfs/dbraw/zinc/60/34/51/833603451.db2.gz TYSRSWHSRHMTLO-SNVBAGLBSA-N 1 0 305.338 -0.712 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncc(F)cc1F ZINC001130320518 830295328 /nfs/dbraw/zinc/29/53/28/830295328.db2.gz STJVZXALSYLDER-VIFPVBQESA-N 1 0 310.304 -0.183 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180870561 833607732 /nfs/dbraw/zinc/60/77/32/833607732.db2.gz HZKKGRHZBIXHGA-CHWSQXEVSA-N 1 0 322.409 -0.510 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)CS(=O)(=O)C1CCCC1 ZINC001130339933 830305013 /nfs/dbraw/zinc/30/50/13/830305013.db2.gz MXHRZWYBKWNDGR-UHFFFAOYSA-N 1 0 316.423 -0.301 20 30 DBEDRO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CNC(=O)OC)C1 ZINC001130348678 830306842 /nfs/dbraw/zinc/30/68/42/830306842.db2.gz SOMWWIWZEZPDMW-LLVKDONJSA-N 1 0 319.365 -0.196 20 30 DBEDRO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CNC(=O)CC)C1 ZINC001130361004 830308081 /nfs/dbraw/zinc/30/80/81/830308081.db2.gz DJTBZBYLQAVCTE-LBPRGKRZSA-N 1 0 317.393 -0.025 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001181302423 833625928 /nfs/dbraw/zinc/62/59/28/833625928.db2.gz RHBUBMIVNIMJHI-GFCCVEGCSA-N 1 0 303.366 -0.718 20 30 DBEDRO CC(=O)NC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCCCC1 ZINC001130379365 830313656 /nfs/dbraw/zinc/31/36/56/830313656.db2.gz YRWLPDOEHWDWEF-UHFFFAOYSA-N 1 0 323.397 -0.829 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001130379347 830313672 /nfs/dbraw/zinc/31/36/72/830313672.db2.gz XJUGZPJEPUYSLS-CYBMUJFWSA-N 1 0 318.377 -0.508 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130376903 830314214 /nfs/dbraw/zinc/31/42/14/830314214.db2.gz PKNBKTBCBJSESN-LLVKDONJSA-N 1 0 303.366 -0.286 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001130407173 830317465 /nfs/dbraw/zinc/31/74/65/830317465.db2.gz KSJIHKYVPMIOGZ-QWHCGFSZSA-N 1 0 317.393 -0.711 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001181309338 833626633 /nfs/dbraw/zinc/62/66/33/833626633.db2.gz CJOYKDOHFFNDNM-CHWSQXEVSA-N 1 0 317.393 -0.329 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001181326143 833626663 /nfs/dbraw/zinc/62/66/63/833626663.db2.gz QLOJXPPTHVAFRY-CYBMUJFWSA-N 1 0 305.382 -0.316 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478061 830328246 /nfs/dbraw/zinc/32/82/46/830328246.db2.gz RNQKQGGQZGSMRV-GFCCVEGCSA-N 1 0 305.382 -0.547 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130481569 830328923 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DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)c2c1CCCC2 ZINC001134114697 830892432 /nfs/dbraw/zinc/89/24/32/830892432.db2.gz XDQYQAZSYURZBI-UHFFFAOYSA-N 1 0 317.393 -0.632 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134123770 830894376 /nfs/dbraw/zinc/89/43/76/830894376.db2.gz FXULMUUCNPHDMW-QWHCGFSZSA-N 1 0 305.382 -0.468 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001134128061 830895184 /nfs/dbraw/zinc/89/51/84/830895184.db2.gz UUSSXJVDXVJAQY-LSDHHAIUSA-N 1 0 311.426 -0.159 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nncn1C ZINC001134131015 830896362 /nfs/dbraw/zinc/89/63/62/830896362.db2.gz PKQVTIILIMXQPZ-NWDGAFQWSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC=C ZINC001134130408 830896577 /nfs/dbraw/zinc/89/65/77/830896577.db2.gz HHPHBUKURWMBAV-QWHCGFSZSA-N 1 0 322.409 -0.699 20 30 DBEDRO COc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)on1 ZINC001134135060 830899220 /nfs/dbraw/zinc/89/92/20/830899220.db2.gz RIXAZVVLYSUXMD-VHSXEESVSA-N 1 0 323.353 -0.191 20 30 DBEDRO CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134142773 830899682 /nfs/dbraw/zinc/89/96/82/830899682.db2.gz GRAZENGJXAKUCX-WDEREUQCSA-N 1 0 311.386 -0.975 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001134142778 830900105 /nfs/dbraw/zinc/90/01/05/830900105.db2.gz GSZKJQUIGBOCLC-NEPJUHHUSA-N 1 0 312.414 -0.312 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134139299 830900213 /nfs/dbraw/zinc/90/02/13/830900213.db2.gz RSPVYIJDKJSGOU-UHFFFAOYSA-N 1 0 306.366 -0.680 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001134157065 830901538 /nfs/dbraw/zinc/90/15/38/830901538.db2.gz URTFQJJGNCSCNV-BDAKNGLRSA-N 1 0 320.353 -0.432 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1=CCOCC1 ZINC001134159718 830901619 /nfs/dbraw/zinc/90/16/19/830901619.db2.gz DBDFRPSTBPSWED-NWDGAFQWSA-N 1 0 308.382 -0.154 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cncnc1 ZINC001134153270 830901696 /nfs/dbraw/zinc/90/16/96/830901696.db2.gz XDQXBFFEZUXFES-GHMZBOCLSA-N 1 0 304.354 -0.397 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cncnc1 ZINC001134153273 830901836 /nfs/dbraw/zinc/90/18/36/830901836.db2.gz XDQXBFFEZUXFES-WDEREUQCSA-N 1 0 304.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134194364 830907001 /nfs/dbraw/zinc/90/70/01/830907001.db2.gz SEBXPEXGCZCMOO-QWHCGFSZSA-N 1 0 320.397 -0.710 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001134194365 830907339 /nfs/dbraw/zinc/90/73/39/830907339.db2.gz SEBXPEXGCZCMOO-STQMWFEESA-N 1 0 320.397 -0.710 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)cnn1 ZINC001134206377 830907787 /nfs/dbraw/zinc/90/77/87/830907787.db2.gz TUHJFEXQLWRCAZ-GHMZBOCLSA-N 1 0 318.381 -0.089 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134198183 830908298 /nfs/dbraw/zinc/90/82/98/830908298.db2.gz UNXFRXJSYGFFAE-GHMZBOCLSA-N 1 0 322.413 -0.209 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1N ZINC001134198325 830908277 /nfs/dbraw/zinc/90/82/77/830908277.db2.gz WDHUAELLCVBCMI-UWVGGRQHSA-N 1 0 321.385 -0.871 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219170 830909980 /nfs/dbraw/zinc/90/99/80/830909980.db2.gz JRUSLHGOQNXIBZ-GHMZBOCLSA-N 1 0 322.365 -0.786 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1ccnn1C)[NH2+]CC(=O)NCC#N ZINC001134223400 830911887 /nfs/dbraw/zinc/91/18/87/830911887.db2.gz FVTHOKGCTYEFGD-NEPJUHHUSA-N 1 0 320.397 -0.525 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1ncc[nH]1 ZINC001134235211 830912461 /nfs/dbraw/zinc/91/24/61/830912461.db2.gz NFQWXVGIEHHKDH-VXGBXAGGSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134244794 830914712 /nfs/dbraw/zinc/91/47/12/830914712.db2.gz QCAINKBRDMBQNV-QWRGUYRKSA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134260182 830914748 /nfs/dbraw/zinc/91/47/48/830914748.db2.gz IMJHTFKFKNSOOX-QWRGUYRKSA-N 1 0 306.370 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(CC)n1 ZINC001134266008 830915486 /nfs/dbraw/zinc/91/54/86/830915486.db2.gz RXEQPTGRAAGGTJ-NEPJUHHUSA-N 1 0 320.397 -0.466 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134288405 830917905 /nfs/dbraw/zinc/91/79/05/830917905.db2.gz HUWVENLWFIVJBW-QWRGUYRKSA-N 1 0 306.370 -0.949 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134298822 830919827 /nfs/dbraw/zinc/91/98/27/830919827.db2.gz MPAMSVUIJZCKLI-WDEREUQCSA-N 1 0 308.386 -0.396 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134303199 830920785 /nfs/dbraw/zinc/92/07/85/830920785.db2.gz PIVVIEKETNDMBS-GHMZBOCLSA-N 1 0 308.386 -0.396 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC12CC2 ZINC001134324093 830922682 /nfs/dbraw/zinc/92/26/82/830922682.db2.gz UFMVBQCCYPVQLI-QWRGUYRKSA-N 1 0 308.382 -0.107 20 30 DBEDRO Cc1cn(C)nc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134335188 830923882 /nfs/dbraw/zinc/92/38/82/830923882.db2.gz ZGFQUEUOKQCDGD-RYUDHWBXSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001134352500 830925527 /nfs/dbraw/zinc/92/55/27/830925527.db2.gz KXNFTMKZSWHNOD-NSHDSACASA-N 1 0 324.406 -0.298 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352086 830925738 /nfs/dbraw/zinc/92/57/38/830925738.db2.gz MXGKZDFWBOSICT-VXGBXAGGSA-N 1 0 303.428 -0.178 20 30 DBEDRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134353632 830926569 /nfs/dbraw/zinc/92/65/69/830926569.db2.gz VMTFVIJVXKBHIK-CYBMUJFWSA-N 1 0 323.418 -0.318 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134376859 830929823 /nfs/dbraw/zinc/92/98/23/830929823.db2.gz UFHCIZOYXOCSFB-RYUDHWBXSA-N 1 0 323.397 -0.479 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401805 830933973 /nfs/dbraw/zinc/93/39/73/830933973.db2.gz WWLBXNVDCBOBEM-QWRGUYRKSA-N 1 0 306.370 -0.727 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401779 830934274 /nfs/dbraw/zinc/93/42/74/830934274.db2.gz WNEKYCLMWDNBAP-GHMZBOCLSA-N 1 0 308.386 -0.174 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cccc(F)c1F ZINC001134400346 830934389 /nfs/dbraw/zinc/93/43/89/830934389.db2.gz LDMHASJGEAARBI-UHFFFAOYSA-N 1 0 310.304 -0.147 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134487102 830939859 /nfs/dbraw/zinc/93/98/59/830939859.db2.gz IZUWUXCBNURXNK-SNVBAGLBSA-N 1 0 311.773 -0.620 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cn1ccnc1C(C)C ZINC001134570011 830951111 /nfs/dbraw/zinc/95/11/11/830951111.db2.gz FHPGVNZQJQOODT-UHFFFAOYSA-N 1 0 305.382 -0.538 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557517 830951224 /nfs/dbraw/zinc/95/12/24/830951224.db2.gz PFYJQVONKYFZFT-STQMWFEESA-N 1 0 315.439 -0.082 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(C2CC2)n1 ZINC001134622525 830957601 /nfs/dbraw/zinc/95/76/01/830957601.db2.gz LBXCNCBFPWSLGK-UHFFFAOYSA-N 1 0 303.366 -0.024 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658696 830963316 /nfs/dbraw/zinc/96/33/16/830963316.db2.gz WQIJCUHLMNOMQZ-MNOVXSKESA-N 1 0 310.398 -0.880 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134663513 830964484 /nfs/dbraw/zinc/96/44/84/830964484.db2.gz MDDFZCSXQRNDOB-UHFFFAOYSA-N 1 0 302.396 -0.833 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001134667104 830966158 /nfs/dbraw/zinc/96/61/58/830966158.db2.gz XYSZTPXOFWNONR-STQMWFEESA-N 1 0 320.393 -0.083 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001134674365 830968378 /nfs/dbraw/zinc/96/83/78/830968378.db2.gz ARWUOICBXCYHCB-WDEREUQCSA-N 1 0 321.381 -0.029 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001134681306 830969530 /nfs/dbraw/zinc/96/95/30/830969530.db2.gz VFXVKDDCEQVBSJ-ZJUUUORDSA-N 1 0 321.381 -0.340 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cn(C)nc1C ZINC001134717192 830970158 /nfs/dbraw/zinc/97/01/58/830970158.db2.gz AFOLGZFMKRBHTO-UHFFFAOYSA-N 1 0 305.382 -0.884 20 30 DBEDRO CC(C)c1nccn1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134723375 830971240 /nfs/dbraw/zinc/97/12/40/830971240.db2.gz GKXIXEWIQVVAGR-UHFFFAOYSA-N 1 0 320.397 -0.258 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1cn(C)nc1C ZINC001134717887 830971815 /nfs/dbraw/zinc/97/18/15/830971815.db2.gz RJBDIIXAKLLVAX-UHFFFAOYSA-N 1 0 307.398 -0.331 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001134726974 830972638 /nfs/dbraw/zinc/97/26/38/830972638.db2.gz WQXXFWHJSZRLRP-QWRGUYRKSA-N 1 0 319.365 -0.582 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001134748821 830974640 /nfs/dbraw/zinc/97/46/40/830974640.db2.gz NNKCUDHFKJPBKZ-OLZOCXBDSA-N 1 0 318.439 -0.056 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134765088 830975937 /nfs/dbraw/zinc/97/59/37/830975937.db2.gz VGCMBCXWJZKBQH-STQMWFEESA-N 1 0 318.439 -0.056 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134765087 830976156 /nfs/dbraw/zinc/97/61/56/830976156.db2.gz VGCMBCXWJZKBQH-QWHCGFSZSA-N 1 0 318.439 -0.056 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769029 830976261 /nfs/dbraw/zinc/97/62/61/830976261.db2.gz IEXPMVNGNYXUOR-VXGBXAGGSA-N 1 0 312.414 -0.312 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134773580 830977065 /nfs/dbraw/zinc/97/70/65/830977065.db2.gz SMLRDLNDALYIFO-UHFFFAOYSA-N 1 0 322.369 -0.766 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001134816475 830978646 /nfs/dbraw/zinc/97/86/46/830978646.db2.gz DLNUSLSIEVVZFS-KGLIPLIRSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001134812643 830978658 /nfs/dbraw/zinc/97/86/58/830978658.db2.gz ONNHRAQGKUUGGQ-AWEZNQCLSA-N 1 0 324.425 -0.215 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001134817482 830979519 /nfs/dbraw/zinc/97/95/19/830979519.db2.gz YCAFJDPYHHFKJM-WCQYABFASA-N 1 0 312.414 -0.360 20 30 DBEDRO Cc1nc(N(C)C)sc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134868174 830984265 /nfs/dbraw/zinc/98/42/65/830984265.db2.gz DANWSLQQYDMWKV-UHFFFAOYSA-N 1 0 324.410 -0.523 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001134890541 830988809 /nfs/dbraw/zinc/98/88/09/830988809.db2.gz RCWKWAUFYRXZOX-UHFFFAOYSA-N 1 0 319.365 -0.319 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cncn1C ZINC001134885758 830988865 /nfs/dbraw/zinc/98/88/65/830988865.db2.gz XFOAKJFJNKSBMB-NWDGAFQWSA-N 1 0 305.382 -0.344 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897220 830990113 /nfs/dbraw/zinc/99/01/13/830990113.db2.gz BOHJLXAMUCDZLY-NWDGAFQWSA-N 1 0 306.366 -0.155 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911334 830991008 /nfs/dbraw/zinc/99/10/08/830991008.db2.gz TYLHYYWUNHFASO-JTQLQIEISA-N 1 0 308.338 -0.722 20 30 DBEDRO Cc1noc(C)c1C[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134921051 830991342 /nfs/dbraw/zinc/99/13/42/830991342.db2.gz NADZEWYIBJUPRK-SNVBAGLBSA-N 1 0 321.381 -0.184 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)nn1 ZINC001134973146 830996741 /nfs/dbraw/zinc/99/67/41/830996741.db2.gz FNMYOOKUKKLLCP-LLVKDONJSA-N 1 0 316.369 -0.438 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)nn1 ZINC001134969053 830996783 /nfs/dbraw/zinc/99/67/83/830996783.db2.gz CAXUTGXUZKPNBJ-GFCCVEGCSA-N 1 0 320.397 -0.300 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)nn1 ZINC001134969048 830996887 /nfs/dbraw/zinc/99/68/87/830996887.db2.gz BYNNBQWDFCXBIR-LLVKDONJSA-N 1 0 306.370 -0.596 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H]2CCN(C(C)C)C2=O)nn1 ZINC001134973197 830996928 /nfs/dbraw/zinc/99/69/28/830996928.db2.gz HXPLXNUPHNFHJQ-GFCCVEGCSA-N 1 0 320.397 -0.207 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O)nn1 ZINC001134973549 830997467 /nfs/dbraw/zinc/99/74/67/830997467.db2.gz WUQYRVLTVDNQIV-NSHDSACASA-N 1 0 308.386 -0.172 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2c(C)nnn2CC)nn1 ZINC001134983426 830997679 /nfs/dbraw/zinc/99/76/79/830997679.db2.gz QLFWNBJRZIKWFZ-UHFFFAOYSA-N 1 0 318.385 -0.096 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134973620 830997773 /nfs/dbraw/zinc/99/77/73/830997773.db2.gz ZSKXCNMGQKQKIV-NSHDSACASA-N 1 0 306.370 -0.526 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2ccnc(OC)n2)nn1 ZINC001134981272 830997905 /nfs/dbraw/zinc/99/79/05/830997905.db2.gz WJGBLHNXXOADSQ-UHFFFAOYSA-N 1 0 317.353 -0.218 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nnnc1C(C)C ZINC001135004312 830999906 /nfs/dbraw/zinc/99/99/06/830999906.db2.gz 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20 30 DBEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182992445 833699167 /nfs/dbraw/zinc/69/91/67/833699167.db2.gz PYXCJFFQIXLDNN-SNVBAGLBSA-N 1 0 309.819 -0.131 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001135188649 831021224 /nfs/dbraw/zinc/02/12/24/831021224.db2.gz NOKAIBSHFQXILX-MNOVXSKESA-N 1 0 321.381 -0.638 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135241789 831034618 /nfs/dbraw/zinc/03/46/18/831034618.db2.gz GNKVUHWJBNXVQH-UHFFFAOYSA-N 1 0 303.322 -0.596 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2(C(=O)NC)CC2)C1=O ZINC001135249980 831035770 /nfs/dbraw/zinc/03/57/70/831035770.db2.gz HSZFAEPOTKVHLU-LLVKDONJSA-N 1 0 308.382 -0.995 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1cnoc1)[NH2+]CC(=O)NCC#N ZINC001135261737 831038090 /nfs/dbraw/zinc/03/80/90/831038090.db2.gz FAAJAYVLDLVSLF-MNOVXSKESA-N 1 0 307.354 -0.270 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)C(C)C)C1 ZINC001182983413 833699083 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CCn1nc(C)c(C(=O)NCC[NH2+]CC(=O)NCC#N)c1C ZINC001135409106 831068732 /nfs/dbraw/zinc/06/87/32/831068732.db2.gz IJENHROCSWPFML-UHFFFAOYSA-N 1 0 306.370 -0.521 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183437224 833716775 /nfs/dbraw/zinc/71/67/75/833716775.db2.gz VDQMKJQBPQVMSN-GHMZBOCLSA-N 1 0 310.398 -0.621 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001135458961 831072865 /nfs/dbraw/zinc/07/28/65/831072865.db2.gz BKTGGYYTHPXUGW-RKDXNWHRSA-N 1 0 313.383 -0.823 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1cn[nH]n1 ZINC001135496785 831077978 /nfs/dbraw/zinc/07/79/78/831077978.db2.gz LRSNQFIFWCFFEQ-NWDGAFQWSA-N 1 0 322.413 -0.088 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccnnc1 ZINC001135537163 831083905 /nfs/dbraw/zinc/08/39/05/831083905.db2.gz XROYPWZMINCLAS-NWDGAFQWSA-N 1 0 303.366 -0.288 20 30 DBEDRO CNC(=O)CC(=O)N1CC[C@H](C[NH2+]CC#CCOC)[C@@H](C)C1 ZINC001184259891 833754924 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C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001135592102 831093542 /nfs/dbraw/zinc/09/35/42/831093542.db2.gz CARLGYJTVTVVBI-MNOVXSKESA-N 1 0 324.381 -0.144 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001135613541 831096124 /nfs/dbraw/zinc/09/61/24/831096124.db2.gz GVACMHKZAWXPES-NWDGAFQWSA-N 1 0 320.393 -0.406 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC001135636388 831099303 /nfs/dbraw/zinc/09/93/03/831099303.db2.gz TZTWQTSPROAXTL-VXGBXAGGSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1cn[nH]c1 ZINC001135652309 831100209 /nfs/dbraw/zinc/10/02/09/831100209.db2.gz YPNDXADCVGAVCF-QWHCGFSZSA-N 1 0 319.409 -0.035 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135675723 831105284 /nfs/dbraw/zinc/10/52/84/831105284.db2.gz KSZVFAYTMCBAOI-VXGBXAGGSA-N 1 0 324.425 -0.312 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001135682330 831107715 /nfs/dbraw/zinc/10/77/15/831107715.db2.gz HDQHZPVLPRLAHU-QWRGUYRKSA-N 1 0 308.386 -0.396 20 30 DBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135688025 831108331 /nfs/dbraw/zinc/10/83/31/831108331.db2.gz YSIOZJLXJCPVHK-NWDGAFQWSA-N 1 0 308.382 -0.014 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686225 831108646 /nfs/dbraw/zinc/10/86/46/831108646.db2.gz FCDLJWDIOLYTOU-CHWSQXEVSA-N 1 0 320.393 -0.177 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692269 831109902 /nfs/dbraw/zinc/10/99/02/831109902.db2.gz HSZMKZPAFBCJEZ-VXGBXAGGSA-N 1 0 324.381 -0.939 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCC(=O)NC1CCCC1 ZINC001135706728 831111191 /nfs/dbraw/zinc/11/11/91/831111191.db2.gz BKTSHBOLQCXIQC-UHFFFAOYSA-N 1 0 322.409 -0.719 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCC(=O)NC1CCCC1 ZINC001135712537 831111789 /nfs/dbraw/zinc/11/17/89/831111789.db2.gz ZTBMXMYLSCVBBS-UHFFFAOYSA-N 1 0 323.397 -0.829 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccncn1 ZINC001135716793 831112952 /nfs/dbraw/zinc/11/29/52/831112952.db2.gz XJZTVAVMSLAJES-VXGBXAGGSA-N 1 0 303.366 -0.288 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cccnn1 ZINC001135737835 831113632 /nfs/dbraw/zinc/11/36/32/831113632.db2.gz BGKPJFGFILRSDV-QWRGUYRKSA-N 1 0 304.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccnn1 ZINC001135739755 831114899 /nfs/dbraw/zinc/11/48/99/831114899.db2.gz RYWKPVVRUZPNLF-VXGBXAGGSA-N 1 0 303.366 -0.288 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135763722 831118421 /nfs/dbraw/zinc/11/84/21/831118421.db2.gz APVPLLXKIZPWNJ-OLZOCXBDSA-N 1 0 308.386 -0.414 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001135782576 831121869 /nfs/dbraw/zinc/12/18/69/831121869.db2.gz FWAUZAUEJNZACD-GHMZBOCLSA-N 1 0 312.370 -0.871 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C(F)F)c1 ZINC001135790538 831123385 /nfs/dbraw/zinc/12/33/85/831123385.db2.gz FWTWCVDJVHQRIJ-UHFFFAOYSA-N 1 0 301.297 -0.100 20 30 DBEDRO Cc1nonc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135820369 831127234 /nfs/dbraw/zinc/12/72/34/831127234.db2.gz AADVRIPVTFJWCR-ZJUUUORDSA-N 1 0 322.369 -0.567 20 30 DBEDRO Cc1nonc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135820368 831127343 /nfs/dbraw/zinc/12/73/43/831127343.db2.gz AADVRIPVTFJWCR-VHSXEESVSA-N 1 0 322.369 -0.567 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001135821079 831128551 /nfs/dbraw/zinc/12/85/51/831128551.db2.gz KNSHOPZORHTHST-NWDGAFQWSA-N 1 0 303.428 -0.226 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C(=O)NCC1CC1 ZINC001135906256 831134183 /nfs/dbraw/zinc/13/41/83/831134183.db2.gz XTGBNMXXBRZJGY-UHFFFAOYSA-N 1 0 324.425 -0.357 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001135943818 831139723 /nfs/dbraw/zinc/13/97/23/831139723.db2.gz AMSKZGZELPKDCS-CHWSQXEVSA-N 1 0 319.409 -0.415 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135972816 831143053 /nfs/dbraw/zinc/14/30/53/831143053.db2.gz JMLLAVGEQIXEAQ-NSHDSACASA-N 1 0 320.397 -0.302 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nnn(C(C)C)c1C ZINC001135989098 831145050 /nfs/dbraw/zinc/14/50/50/831145050.db2.gz WMRHBQAZFPDALE-UHFFFAOYSA-N 1 0 306.370 -0.764 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000682 831147190 /nfs/dbraw/zinc/14/71/90/831147190.db2.gz IGGVKEHGYOJVTO-CYBMUJFWSA-N 1 0 321.381 -0.716 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055956 831154121 /nfs/dbraw/zinc/15/41/21/831154121.db2.gz QMARJQDYGKWPJG-NWDGAFQWSA-N 1 0 307.398 -0.214 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1ccc(=O)[nH]c1)[NH2+]CC(=O)NCC#N ZINC001136075082 831155310 /nfs/dbraw/zinc/15/53/10/831155310.db2.gz ROCYQDQDBWEYPA-MNOVXSKESA-N 1 0 319.365 -0.087 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107535 831157019 /nfs/dbraw/zinc/15/70/19/831157019.db2.gz OQHXKXTWIBBGEW-UHFFFAOYSA-N 1 0 304.412 -0.138 20 30 DBEDRO C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184399890 833758575 /nfs/dbraw/zinc/75/85/75/833758575.db2.gz PGZRHMMDJOYBAQ-KBPBESRZSA-N 1 0 322.413 -0.050 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184399744 833758823 /nfs/dbraw/zinc/75/88/23/833758823.db2.gz MRICMXQWFSPFFC-UONOGXRCSA-N 1 0 320.397 -0.603 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001184388294 833758858 /nfs/dbraw/zinc/75/88/58/833758858.db2.gz WFDLPTDXJPTPFZ-KGLIPLIRSA-N 1 0 309.410 -0.154 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001184525257 833762273 /nfs/dbraw/zinc/76/22/73/833762273.db2.gz VPRLDIMSOSSJAU-OLZOCXBDSA-N 1 0 315.439 -0.367 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001146200424 831267550 /nfs/dbraw/zinc/26/75/50/831267550.db2.gz LAIFTBMMCUOWHV-LLVKDONJSA-N 1 0 318.377 -0.193 20 30 DBEDRO COCC(C)(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184551399 833762871 /nfs/dbraw/zinc/76/28/71/833762871.db2.gz MYWCKCXZIIDYFM-GFCCVEGCSA-N 1 0 310.398 -0.121 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(C)(C)COC)C1 ZINC001184551447 833762945 /nfs/dbraw/zinc/76/29/45/833762945.db2.gz PFQVBBFIHKCSHM-CYBMUJFWSA-N 1 0 309.410 -0.011 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2nonc2C)C1=O ZINC001146237775 831271090 /nfs/dbraw/zinc/27/10/90/831271090.db2.gz AFYKHEHPQKOYMY-LLVKDONJSA-N 1 0 307.354 -0.587 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314835 831275998 /nfs/dbraw/zinc/27/59/98/831275998.db2.gz OGMDFHJSPZMXDU-STQMWFEESA-N 1 0 315.439 -0.777 20 30 DBEDRO C[C@@H]1CCc2onc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2C1 ZINC001146326660 831276465 /nfs/dbraw/zinc/27/64/65/831276465.db2.gz NERFSFQPXHVHQD-SNVBAGLBSA-N 1 0 319.365 -0.241 20 30 DBEDRO COc1ccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)c(F)c1 ZINC001146364328 831277839 /nfs/dbraw/zinc/27/78/39/831277839.db2.gz OHLPJFSEGNGXHC-UHFFFAOYSA-N 1 0 322.340 -0.278 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001184924761 833775433 /nfs/dbraw/zinc/77/54/33/833775433.db2.gz WBEAAWWYLFWEHE-UONOGXRCSA-N 1 0 308.426 -0.322 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C[C@H]1C ZINC001184933372 833775459 /nfs/dbraw/zinc/77/54/59/833775459.db2.gz KAWWDJHEXHJLTN-HUUCEWRRSA-N 1 0 320.437 -0.484 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146560704 831284739 /nfs/dbraw/zinc/28/47/39/831284739.db2.gz CRKYDIQIZAOEIN-OLZOCXBDSA-N 1 0 320.397 -0.710 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146561853 831284852 /nfs/dbraw/zinc/28/48/52/831284852.db2.gz KSKBUGLTLLBIDI-QWHCGFSZSA-N 1 0 320.397 -0.710 20 30 DBEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584175 831285200 /nfs/dbraw/zinc/28/52/00/831285200.db2.gz QYFDEZJPDPVNJA-WDEREUQCSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146582393 831285535 /nfs/dbraw/zinc/28/55/35/831285535.db2.gz HAYQQIGBNJXQJR-GHMZBOCLSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146584172 831285611 /nfs/dbraw/zinc/28/56/11/831285611.db2.gz QYFDEZJPDPVNJA-GHMZBOCLSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146692398 831291994 /nfs/dbraw/zinc/29/19/94/831291994.db2.gz JNLJJCVUCZSCAN-GHMZBOCLSA-N 1 0 314.386 -0.353 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn2c1CCCC2 ZINC001146776168 831296076 /nfs/dbraw/zinc/29/60/76/831296076.db2.gz CZZIDFWOGODKCM-GFCCVEGCSA-N 1 0 317.393 -0.323 20 30 DBEDRO Cc1nc[nH]c1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146814190 831299513 /nfs/dbraw/zinc/29/95/13/831299513.db2.gz PHKYRWJULAHCIO-VHSXEESVSA-N 1 0 306.370 -0.156 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc2c([nH]1)CCCC2 ZINC001146889645 831305414 /nfs/dbraw/zinc/30/54/14/831305414.db2.gz ATAWUVRPZGRRKW-UHFFFAOYSA-N 1 0 302.378 -0.038 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001146912572 831308388 /nfs/dbraw/zinc/30/83/88/831308388.db2.gz SCQLHDJTXRQJSG-OLZOCXBDSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)COCC)C2)C1 ZINC001146940366 831312464 /nfs/dbraw/zinc/31/24/64/831312464.db2.gz OIVNNMUTDGAIGK-CYBMUJFWSA-N 1 0 307.394 -0.305 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001146995703 831320291 /nfs/dbraw/zinc/32/02/91/831320291.db2.gz XKHZNWAUGZUOQH-HNNXBMFYSA-N 1 0 310.398 -0.747 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146993521 831320527 /nfs/dbraw/zinc/32/05/27/831320527.db2.gz BRIBJJQYPMKMTL-NWDGAFQWSA-N 1 0 319.409 -0.089 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185415628 833794226 /nfs/dbraw/zinc/79/42/26/833794226.db2.gz BOEUYELRKGGTOO-GHMZBOCLSA-N 1 0 319.365 -0.932 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CC ZINC001147022843 831327108 /nfs/dbraw/zinc/32/71/08/831327108.db2.gz SSPSBIMMSWWTSU-OLZOCXBDSA-N 1 0 322.409 -0.769 20 30 DBEDRO CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CSCC#N)C2)C1 ZINC001147031411 831328927 /nfs/dbraw/zinc/32/89/27/831328927.db2.gz RWFFIPQXIFOLNU-LLVKDONJSA-N 1 0 310.423 -0.088 20 30 DBEDRO CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)CSCC#N)C2)C1 ZINC001147031195 831329053 /nfs/dbraw/zinc/32/90/53/831329053.db2.gz IZEOTJLKXCVABP-UHFFFAOYSA-N 1 0 310.423 -0.134 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1cnn(CCCOC)c1 ZINC001147056081 831332823 /nfs/dbraw/zinc/33/28/23/831332823.db2.gz LCSNNTBUTMSUIQ-UHFFFAOYSA-N 1 0 308.382 -0.111 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001147080151 831336094 /nfs/dbraw/zinc/33/60/94/831336094.db2.gz WTAMCFHHPQCSIR-CHWSQXEVSA-N 1 0 307.394 -0.307 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cccn1 ZINC001147097053 831338837 /nfs/dbraw/zinc/33/88/37/831338837.db2.gz QOBMVGBOPUNTEA-CHWSQXEVSA-N 1 0 305.382 -0.322 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(=O)N2CC[C@@H](C)C2)C1=O ZINC001147175051 831345746 /nfs/dbraw/zinc/34/57/46/831345746.db2.gz IJUHKTPDTJJXHI-CHWSQXEVSA-N 1 0 322.409 -0.653 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)COCC=C)C2)C1 ZINC001147256221 831352174 /nfs/dbraw/zinc/35/21/74/831352174.db2.gz OUOJZXDZEMWEIT-CQSZACIVSA-N 1 0 319.405 -0.139 20 30 DBEDRO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001147256205 831352821 /nfs/dbraw/zinc/35/28/21/831352821.db2.gz OJKWVEWAQBBCDL-NXEZZACHSA-N 1 0 307.354 -0.736 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001147256461 831353211 /nfs/dbraw/zinc/35/32/11/831353211.db2.gz UUMNTEAZINEVBS-CHWSQXEVSA-N 1 0 302.378 -0.182 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCn1nc(C)nc1C ZINC001147282928 831358840 /nfs/dbraw/zinc/35/88/40/831358840.db2.gz GHPSBXRBIPJKLU-UHFFFAOYSA-N 1 0 320.397 -0.870 20 30 DBEDRO C=CCOc1cccnc1C(=O)NCC[NH2+]CCOCCO ZINC001147290888 831359734 /nfs/dbraw/zinc/35/97/34/831359734.db2.gz YMVAHZYLAOOZIN-UHFFFAOYSA-N 1 0 309.366 -0.025 20 30 DBEDRO Cc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)cnn1C(C)C ZINC001147301335 831361007 /nfs/dbraw/zinc/36/10/07/831361007.db2.gz UIZFNRILNLHTJG-UHFFFAOYSA-N 1 0 306.370 -0.268 20 30 DBEDRO C#CCNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CCCCO3)C2)C1 ZINC001147334277 831362952 /nfs/dbraw/zinc/36/29/52/831362952.db2.gz RXWUODAUYOQWIX-AWEZNQCLSA-N 1 0 319.405 -0.161 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001147377979 831366985 /nfs/dbraw/zinc/36/69/85/831366985.db2.gz UWCUZRKSYVNSLR-GFCCVEGCSA-N 1 0 324.425 -0.618 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cnn(CC)c1 ZINC001147402458 831368170 /nfs/dbraw/zinc/36/81/70/831368170.db2.gz QCFYVBUKRLTMKL-GFCCVEGCSA-N 1 0 305.382 -0.711 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147422524 831370003 /nfs/dbraw/zinc/37/00/03/831370003.db2.gz POHKVTZFNKIQQP-HNNXBMFYSA-N 1 0 312.410 -0.143 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC)C2 ZINC001147422534 831370350 /nfs/dbraw/zinc/37/03/50/831370350.db2.gz PWKRCRIQTJGFLO-IUODEOHRSA-N 1 0 309.410 -0.018 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC)C2 ZINC001147422536 831370885 /nfs/dbraw/zinc/37/08/85/831370885.db2.gz PWKRCRIQTJGFLO-WFASDCNBSA-N 1 0 309.410 -0.018 20 30 DBEDRO C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001147455089 831372413 /nfs/dbraw/zinc/37/24/13/831372413.db2.gz CBVVVWPXNCZGCM-GFCCVEGCSA-N 1 0 309.366 -0.168 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@](C)(NC(C)=O)C1CC1 ZINC001147466371 831374983 /nfs/dbraw/zinc/37/49/83/831374983.db2.gz JZZHRDFUKWAMGS-OAHLLOKOSA-N 1 0 310.398 -0.701 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001147498527 831376844 /nfs/dbraw/zinc/37/68/44/831376844.db2.gz CCVVRYWKALTBQR-GFCCVEGCSA-N 1 0 315.377 -0.305 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001147529824 831377751 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308.386 -0.171 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)[C@H]1C ZINC001178537779 833512467 /nfs/dbraw/zinc/51/24/67/833512467.db2.gz FIOSIZGEHDEUMC-JQWIXIFHSA-N 1 0 304.350 -0.075 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC(=O)NC)[C@H]2C)C1=O ZINC001178548373 833512851 /nfs/dbraw/zinc/51/28/51/833512851.db2.gz VKCCNUISHDIZGJ-RWMBFGLXSA-N 1 0 322.409 -0.512 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544594 833512915 /nfs/dbraw/zinc/51/29/15/833512915.db2.gz MHZPAPHMMXVLSX-SRVKXCTJSA-N 1 0 310.398 -0.608 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnnc(C)c2)[C@H]1C ZINC001178555477 833513570 /nfs/dbraw/zinc/51/35/70/833513570.db2.gz PRAWZUUYRJRQTR-JSGCOSHPSA-N 1 0 315.377 -0.273 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178582128 833515245 /nfs/dbraw/zinc/51/52/45/833515245.db2.gz OOFPHGOWOHTIRV-PGUXBMHVSA-N 1 0 323.397 -0.486 20 30 DBEDRO 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ZINC001179739938 833557143 /nfs/dbraw/zinc/55/71/43/833557143.db2.gz IMPQPDGPGPIMKU-DCAQKATOSA-N 1 0 306.370 -0.312 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC001179754756 833557753 /nfs/dbraw/zinc/55/77/53/833557753.db2.gz FSSQQBZYFSSKFJ-RYUDHWBXSA-N 1 0 303.366 -0.029 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC001179765918 833557786 /nfs/dbraw/zinc/55/77/86/833557786.db2.gz HEAYQSPKYLQZMF-AGIUHOORSA-N 1 0 315.377 -0.193 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H]1C ZINC001179852301 833560651 /nfs/dbraw/zinc/56/06/51/833560651.db2.gz IQPWXAJFXMTNLY-RYUDHWBXSA-N 1 0 320.393 -0.081 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001179895340 833562972 /nfs/dbraw/zinc/56/29/72/833562972.db2.gz NGXCCLOLBPOPEH-WOPDTQHZSA-N 1 0 318.381 -0.936 20 30 DBEDRO COCC#CC[NH2+]CCCCCCNC(=O)CCn1cnnn1 ZINC001179891976 833562985 /nfs/dbraw/zinc/56/29/85/833562985.db2.gz LIBJKTZYEYCEFE-UHFFFAOYSA-N 1 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833572782 /nfs/dbraw/zinc/57/27/82/833572782.db2.gz CQFSVZLRSNPCTJ-QWRGUYRKSA-N 1 0 306.370 -0.468 20 30 DBEDRO C=CCCOCC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001180261004 833577230 /nfs/dbraw/zinc/57/72/30/833577230.db2.gz WKAJOESFVBPRCY-AVGNSLFASA-N 1 0 323.393 -0.037 20 30 DBEDRO C=CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180268415 833577740 /nfs/dbraw/zinc/57/77/40/833577740.db2.gz ANQUKDRYKNYIAB-AVGNSLFASA-N 1 0 308.382 -0.204 20 30 DBEDRO C=CC[NH2+]CCCCCCNC(=O)CNC(=O)Cn1cncn1 ZINC001180357125 833582475 /nfs/dbraw/zinc/58/24/75/833582475.db2.gz MTTXZZPONCZKSK-UHFFFAOYSA-N 1 0 322.413 -0.154 20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001180369594 833582738 /nfs/dbraw/zinc/58/27/38/833582738.db2.gz MZXJNRAQKNZBNW-UHFFFAOYSA-N 1 0 306.370 -0.724 20 30 DBEDRO Cc1nonc1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001180477776 833586369 /nfs/dbraw/zinc/58/63/69/833586369.db2.gz FOLMRNQKTOBFPW-UHFFFAOYSA-N 1 0 322.369 -0.102 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001180628143 833595328 /nfs/dbraw/zinc/59/53/28/833595328.db2.gz RXGJBECNDTYIBV-GXTWGEPZSA-N 1 0 307.394 -0.259 20 30 DBEDRO Cc1cnc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001180756584 833599944 /nfs/dbraw/zinc/59/99/44/833599944.db2.gz MRZHAVRGXKJMCR-LLVKDONJSA-N 1 0 302.338 -0.771 20 30 DBEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CNC(N)=O)C2)s1 ZINC001180897807 833609371 /nfs/dbraw/zinc/60/93/71/833609371.db2.gz UBUPLFDCPRCIAA-SECBINFHSA-N 1 0 307.379 -0.021 20 30 DBEDRO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001180914370 833610015 /nfs/dbraw/zinc/61/00/15/833610015.db2.gz QDTUWFIUYRYUMT-IMSIIYSGSA-N 1 0 309.370 -0.585 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001180913868 833610318 /nfs/dbraw/zinc/61/03/18/833610318.db2.gz NISURQFYMGWWBL-WCQYABFASA-N 1 0 303.366 -0.638 20 30 DBEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907029 833610483 /nfs/dbraw/zinc/61/04/83/833610483.db2.gz PEYDWRVFLQQMFB-CYBMUJFWSA-N 1 0 301.350 -0.083 20 30 DBEDRO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001180914873 833610817 /nfs/dbraw/zinc/61/08/17/833610817.db2.gz WVXITSRFBMVJQJ-YWPYICTPSA-N 1 0 305.382 -0.140 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC001181006562 833614507 /nfs/dbraw/zinc/61/45/07/833614507.db2.gz PCCCLYLCOLXNQK-DGCLKSJQSA-N 1 0 317.393 -0.329 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001181005794 833614609 /nfs/dbraw/zinc/61/46/09/833614609.db2.gz DIAPTGSFIPOQJZ-QWHCGFSZSA-N 1 0 320.397 -0.451 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001181039804 833615353 /nfs/dbraw/zinc/61/53/53/833615353.db2.gz SCZAKTKKGCNJEO-ZIAGYGMSSA-N 1 0 317.393 -0.398 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001181124579 833617542 /nfs/dbraw/zinc/61/75/42/833617542.db2.gz TVYHIWHLMCCHMQ-NWDGAFQWSA-N 1 0 308.407 -0.428 20 30 DBEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)O)C1 ZINC001181192899 833621165 /nfs/dbraw/zinc/62/11/65/833621165.db2.gz GGQOTTQAGZIJBM-DVOMOZLQSA-N 1 0 309.410 -0.419 20 30 DBEDRO CNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001181239761 833622667 /nfs/dbraw/zinc/62/26/67/833622667.db2.gz FTUCPLKKWKGRFK-CZUORRHYSA-N 1 0 309.410 -0.154 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001181638630 833638808 /nfs/dbraw/zinc/63/88/08/833638808.db2.gz OJUDVXIBIBFTHE-ZYHUDNBSSA-N 1 0 303.366 -0.340 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC001181680952 833640110 /nfs/dbraw/zinc/64/01/10/833640110.db2.gz CKZHPIANYQNUJE-LLVKDONJSA-N 1 0 305.313 -0.335 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716540 833641310 /nfs/dbraw/zinc/64/13/10/833641310.db2.gz PKZLBHLYOIJQCQ-GHMZBOCLSA-N 1 0 318.381 -0.446 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001181770138 833643665 /nfs/dbraw/zinc/64/36/65/833643665.db2.gz VWFUBYATHUKIJQ-DGCLKSJQSA-N 1 0 304.350 -0.455 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001181793988 833645077 /nfs/dbraw/zinc/64/50/77/833645077.db2.gz ZMDPGEMNTJWAIG-LLVKDONJSA-N 1 0 304.325 -0.226 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181812045 833645707 /nfs/dbraw/zinc/64/57/07/833645707.db2.gz NDSFEOYZVDNEDB-CMPLNLGQSA-N 1 0 318.381 -0.934 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001181878195 833647350 /nfs/dbraw/zinc/64/73/50/833647350.db2.gz HMOOXYBAIBNFTP-NWDGAFQWSA-N 1 0 304.350 -0.075 20 30 DBEDRO N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)c1 ZINC001181879570 833647609 /nfs/dbraw/zinc/64/76/09/833647609.db2.gz UCUJNUSITBTPJT-GFCCVEGCSA-N 1 0 301.350 -0.031 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917466 833648609 /nfs/dbraw/zinc/64/86/09/833648609.db2.gz TXAVDOBSJDLCQZ-LLVKDONJSA-N 1 0 306.370 -0.770 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC001181936149 833648735 /nfs/dbraw/zinc/64/87/35/833648735.db2.gz PYILBQUJZZSEQY-ZIAGYGMSSA-N 1 0 307.394 -0.257 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC001181950700 833649364 /nfs/dbraw/zinc/64/93/64/833649364.db2.gz QHHDMUGWTXWWBV-SNVBAGLBSA-N 1 0 300.309 -0.138 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001182023900 833651549 /nfs/dbraw/zinc/65/15/49/833651549.db2.gz NDHQCIOGXSYAEO-CYBMUJFWSA-N 1 0 301.350 -0.546 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC(=O)NCC)C2)C1=O ZINC001182145399 833660521 /nfs/dbraw/zinc/66/05/21/833660521.db2.gz OHSKHAHPFOZFJX-OLZOCXBDSA-N 1 0 322.409 -0.510 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC001182173385 833662408 /nfs/dbraw/zinc/66/24/08/833662408.db2.gz LOQINMFDALGFEU-CYBMUJFWSA-N 1 0 302.378 -0.113 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001182204731 833665169 /nfs/dbraw/zinc/66/51/69/833665169.db2.gz UIZMVRLSDCKWHZ-DGCLKSJQSA-N 1 0 319.427 -0.947 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182257927 833666683 /nfs/dbraw/zinc/66/66/83/833666683.db2.gz FDDZCHBSJBYOMG-WDEREUQCSA-N 1 0 306.370 -0.690 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001182329253 833669359 /nfs/dbraw/zinc/66/93/59/833669359.db2.gz FGJMPKDFJPEDEX-VXGBXAGGSA-N 1 0 318.381 -0.760 20 30 DBEDRO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001182415342 833673863 /nfs/dbraw/zinc/67/38/63/833673863.db2.gz ZLHATBWNNHIGKP-HUUCEWRRSA-N 1 0 302.378 -0.152 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001182397163 833674215 /nfs/dbraw/zinc/67/42/15/833674215.db2.gz BFVMKQRWHLAXKP-QWHCGFSZSA-N 1 0 307.394 -0.380 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001182423039 833674506 /nfs/dbraw/zinc/67/45/06/833674506.db2.gz NJPJPGXILJQRGM-CYBMUJFWSA-N 1 0 315.439 -0.272 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001182450490 833676576 /nfs/dbraw/zinc/67/65/76/833676576.db2.gz YCFAJYBICGBTJB-CHWSQXEVSA-N 1 0 315.377 -0.273 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001182467239 833677685 /nfs/dbraw/zinc/67/76/85/833677685.db2.gz YTDJSOZUIXVYTC-CYBMUJFWSA-N 1 0 321.377 -0.634 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001182504529 833678733 /nfs/dbraw/zinc/67/87/33/833678733.db2.gz FPYHCBCRCQXZQW-UONOGXRCSA-N 1 0 324.425 -0.077 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001182472459 833678798 /nfs/dbraw/zinc/67/87/98/833678798.db2.gz DCKPITLTMRUZLT-CHWSQXEVSA-N 1 0 316.423 -0.350 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001182513571 833679584 /nfs/dbraw/zinc/67/95/84/833679584.db2.gz FTBABECQMUQHPO-KGLIPLIRSA-N 1 0 307.394 -0.162 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001182560440 833681192 /nfs/dbraw/zinc/68/11/92/833681192.db2.gz BRHIIQDUNULGNN-QWHCGFSZSA-N 1 0 315.377 -0.024 20 30 DBEDRO Cc1cnccc1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182599780 833682806 /nfs/dbraw/zinc/68/28/06/833682806.db2.gz ZRSBHIZRJDCUFP-CQSZACIVSA-N 1 0 315.377 -0.237 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)c2ccnn2C)C1 ZINC001182670515 833686384 /nfs/dbraw/zinc/68/63/84/833686384.db2.gz PQQRXAKGFGILGU-QWHCGFSZSA-N 1 0 317.393 -0.537 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 ZINC001182684013 833686431 /nfs/dbraw/zinc/68/64/31/833686431.db2.gz JKVGXMGIEHMFMZ-GFCCVEGCSA-N 1 0 317.393 -0.064 20 30 DBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001182731818 833687711 /nfs/dbraw/zinc/68/77/11/833687711.db2.gz IQLROFZBOJTERU-MBNYWOFBSA-N 1 0 315.439 -0.369 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001182755881 833688629 /nfs/dbraw/zinc/68/86/29/833688629.db2.gz VZKRFYWVUSZTLP-NWDGAFQWSA-N 1 0 301.412 -0.472 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H]1C ZINC001182823249 833692761 /nfs/dbraw/zinc/69/27/61/833692761.db2.gz UEBXRYSITQMCPK-PVXIVEMSSA-N 1 0 324.425 -0.373 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)c2cnon2)C[C@H]1C ZINC001182941310 833696418 /nfs/dbraw/zinc/69/64/18/833696418.db2.gz FURGUDLDWAMDKQ-IAQYHMDHSA-N 1 0 319.365 -0.493 20 30 DBEDRO CCN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)CC1=O ZINC001182981085 833698606 /nfs/dbraw/zinc/69/86/06/833698606.db2.gz CZGANPGYLVJJSQ-UONOGXRCSA-N 1 0 307.394 -0.305 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001183033425 833703595 /nfs/dbraw/zinc/70/35/95/833703595.db2.gz ZDPLYZLYPUIHEV-QWHCGFSZSA-N 1 0 321.377 -0.636 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001183214713 833710836 /nfs/dbraw/zinc/71/08/36/833710836.db2.gz URYGJORXSKEPGY-ZIAGYGMSSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C ZINC001183349052 833713665 /nfs/dbraw/zinc/71/36/65/833713665.db2.gz UZXXWYPFQZKUGD-XHBSWPGZSA-N 1 0 320.393 -0.318 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001183354002 833714461 /nfs/dbraw/zinc/71/44/61/833714461.db2.gz LISWUCAMMQCUSJ-MCIONIFRSA-N 1 0 306.410 -0.591 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001183402375 833716128 /nfs/dbraw/zinc/71/61/28/833716128.db2.gz GIQRMUIRVNQHEC-IJLUTSLNSA-N 1 0 316.365 -0.657 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001183450778 833717657 /nfs/dbraw/zinc/71/76/57/833717657.db2.gz ZKAYCKSRACOFIM-GFCCVEGCSA-N 1 0 303.366 -0.718 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001183475327 833717677 /nfs/dbraw/zinc/71/76/77/833717677.db2.gz KBMGGTJQFJKPOU-GHMZBOCLSA-N 1 0 319.365 -0.634 20 30 DBEDRO CCOc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001183526147 833719415 /nfs/dbraw/zinc/71/94/15/833719415.db2.gz BGGPOUFXQIVXPI-SNVBAGLBSA-N 1 0 320.353 -0.748 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001183628701 833725092 /nfs/dbraw/zinc/72/50/92/833725092.db2.gz GVZZACKBWLXUBN-CYBMUJFWSA-N 1 0 300.362 -0.063 20 30 DBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001183657135 833727252 /nfs/dbraw/zinc/72/72/52/833727252.db2.gz JYFRKVBIBOSNRL-NWDGAFQWSA-N 1 0 304.412 -0.187 20 30 DBEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183721453 833733053 /nfs/dbraw/zinc/73/30/53/833733053.db2.gz GWAPVSMPOLZJIL-CYBMUJFWSA-N 1 0 310.398 -0.605 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001183762663 833735921 /nfs/dbraw/zinc/73/59/21/833735921.db2.gz JMYPRPMYBCUBRZ-HIFRSBDPSA-N 1 0 309.410 -0.154 20 30 DBEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001183782042 833736747 /nfs/dbraw/zinc/73/67/47/833736747.db2.gz DWORWDSPUZKKEM-CQSZACIVSA-N 1 0 308.426 -0.083 20 30 DBEDRO CCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001183809409 833737263 /nfs/dbraw/zinc/73/72/63/833737263.db2.gz NSVWZQSLYLVRLM-QWHCGFSZSA-N 1 0 310.398 -0.263 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183869145 833739191 /nfs/dbraw/zinc/73/91/91/833739191.db2.gz SQHUGTARXMMPQX-NWDGAFQWSA-N 1 0 308.382 -0.995 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccncc2)C1 ZINC001183877387 833739864 /nfs/dbraw/zinc/73/98/64/833739864.db2.gz QJEPSJWVVQJLFL-CQSZACIVSA-N 1 0 315.377 -0.156 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC001183903724 833741375 /nfs/dbraw/zinc/74/13/75/833741375.db2.gz WEYPXHQYEIJMPK-CQSZACIVSA-N 1 0 307.394 -0.161 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001183914063 833741905 /nfs/dbraw/zinc/74/19/05/833741905.db2.gz UZZLFNPWXMXTPR-STQMWFEESA-N 1 0 317.393 -0.153 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnc(OC)n2)C1 ZINC001184148145 833751073 /nfs/dbraw/zinc/75/10/73/833751073.db2.gz PYBRMUKUQAOEFS-LLVKDONJSA-N 1 0 317.349 -0.961 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184241567 833753875 /nfs/dbraw/zinc/75/38/75/833753875.db2.gz MXKCVMRWRFRTEU-KBPBESRZSA-N 1 0 309.410 -0.418 20 30 DBEDRO Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184309965 833756493 /nfs/dbraw/zinc/75/64/93/833756493.db2.gz OQETXMIEVXTBOT-GFCCVEGCSA-N 1 0 304.354 -0.978 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001184310102 833756693 /nfs/dbraw/zinc/75/66/93/833756693.db2.gz ACWFUFPNCYNHOW-CHWSQXEVSA-N 1 0 317.393 -0.153 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001184358019 833757835 /nfs/dbraw/zinc/75/78/35/833757835.db2.gz SFWTXPNNCRMCIX-STQMWFEESA-N 1 0 322.409 -0.085 20 30 DBEDRO N#Cc1cccc(N2C[C@@H](C(=O)NC3(C[NH3+])COC3)OC2=O)c1 ZINC001184374884 833757901 /nfs/dbraw/zinc/75/79/01/833757901.db2.gz DCBGHGQZAIKKEZ-LBPRGKRZSA-N 1 0 316.317 -0.273 20 30 DBEDRO N#Cc1cccc(N2C[C@H](C(=O)NCC[NH2+]CCO)OC2=O)c1 ZINC001184376270 833758547 /nfs/dbraw/zinc/75/85/47/833758547.db2.gz QKVDDVIYYXGKTF-CYBMUJFWSA-N 1 0 318.333 -0.418 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001184578710 833763731 /nfs/dbraw/zinc/76/37/31/833763731.db2.gz WHIICVVQTGZPOD-CABCVRRESA-N 1 0 321.421 -0.057 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC001184628553 833766141 /nfs/dbraw/zinc/76/61/41/833766141.db2.gz LYPYPADQYRAOBO-SNVBAGLBSA-N 1 0 306.322 -0.763 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184684324 833766627 /nfs/dbraw/zinc/76/66/27/833766627.db2.gz ONNZXLJKLIVUDP-STQMWFEESA-N 1 0 307.398 -0.158 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001184684388 833766862 /nfs/dbraw/zinc/76/68/62/833766862.db2.gz OZPSIDXHVJYLBT-ZIAGYGMSSA-N 1 0 319.409 -0.321 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184684689 833766912 /nfs/dbraw/zinc/76/69/12/833766912.db2.gz SHCHYAOBICPCNZ-KBPBESRZSA-N 1 0 319.409 -0.321 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C[C@H]1C ZINC001184701136 833767262 /nfs/dbraw/zinc/76/72/62/833767262.db2.gz ILGXFHPZBKSQBZ-OCCSQVGLSA-N 1 0 324.425 -0.501 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001184723372 833768060 /nfs/dbraw/zinc/76/80/60/833768060.db2.gz IKMDLIPSFVMGJH-RYUDHWBXSA-N 1 0 318.381 -0.758 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001184747819 833768884 /nfs/dbraw/zinc/76/88/84/833768884.db2.gz PDUYIVZTNNFZRY-CHWSQXEVSA-N 1 0 318.377 -0.344 20 30 DBEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184849611 833772635 /nfs/dbraw/zinc/77/26/35/833772635.db2.gz GUJOOIBLYFSZDL-LLVKDONJSA-N 1 0 303.428 -0.062 20 30 DBEDRO Cc1ncccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185238859 833785567 /nfs/dbraw/zinc/78/55/67/833785567.db2.gz VGWDBVAKSSEKDN-GFCCVEGCSA-N 1 0 301.350 -0.166 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1C ZINC001185283167 833790015 /nfs/dbraw/zinc/79/00/15/833790015.db2.gz NWHASNVJPWXEGI-NWDGAFQWSA-N 1 0 305.378 -0.253 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001185328578 833791794 /nfs/dbraw/zinc/79/17/94/833791794.db2.gz XQGZAFGUZSPKDK-OLZOCXBDSA-N 1 0 320.393 -0.364 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001185327569 833791970 /nfs/dbraw/zinc/79/19/70/833791970.db2.gz RHXTXHOIFKPKLM-NEPJUHHUSA-N 1 0 308.382 -0.202 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001185328577 833792083 /nfs/dbraw/zinc/79/20/83/833792083.db2.gz XQGZAFGUZSPKDK-CHWSQXEVSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1C ZINC001185335710 833792814 /nfs/dbraw/zinc/79/28/14/833792814.db2.gz FDVQNAIPJNZOMI-NEPJUHHUSA-N 1 0 319.365 -0.493 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185392304 833793464 /nfs/dbraw/zinc/79/34/64/833793464.db2.gz KOIZVXHHAZXLRM-SNVBAGLBSA-N 1 0 307.354 -0.768 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185384956 833793503 /nfs/dbraw/zinc/79/35/03/833793503.db2.gz IDNBELMNEZWHJS-CQSZACIVSA-N 1 0 323.441 -0.109 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC001185446113 833795199 /nfs/dbraw/zinc/79/51/99/833795199.db2.gz KGMJMLCJRMREAS-STQMWFEESA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1C ZINC001185446111 833795240 /nfs/dbraw/zinc/79/52/40/833795240.db2.gz KGMJMLCJRMREAS-QWHCGFSZSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1C ZINC001185493379 833796276 /nfs/dbraw/zinc/79/62/76/833796276.db2.gz VAMPEXZYHIIGLD-QWHCGFSZSA-N 1 0 320.393 -0.412 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001185493377 833796401 /nfs/dbraw/zinc/79/64/01/833796401.db2.gz VAMPEXZYHIIGLD-CHWSQXEVSA-N 1 0 320.393 -0.412 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C ZINC001185493378 833796433 /nfs/dbraw/zinc/79/64/33/833796433.db2.gz VAMPEXZYHIIGLD-OLZOCXBDSA-N 1 0 320.393 -0.412 20 30 DBEDRO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)c1 ZINC001185558323 833797927 /nfs/dbraw/zinc/79/79/27/833797927.db2.gz VYHGWHBZJBOBLU-CABCVRRESA-N 1 0 303.362 -0.126 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001185640773 833802613 /nfs/dbraw/zinc/80/26/13/833802613.db2.gz KMZHWKXTEXAMOV-OLZOCXBDSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC001185642951 833802962 /nfs/dbraw/zinc/80/29/62/833802962.db2.gz WDNVFLCNYALUCP-QWHCGFSZSA-N 1 0 305.378 -0.157 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1C ZINC001185642952 833803345 /nfs/dbraw/zinc/80/33/45/833803345.db2.gz WDNVFLCNYALUCP-STQMWFEESA-N 1 0 305.378 -0.157 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001185750546 833809329 /nfs/dbraw/zinc/80/93/29/833809329.db2.gz JZGLANHFNOLAOB-VXGBXAGGSA-N 1 0 318.381 -0.916 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750519 833810048 /nfs/dbraw/zinc/81/00/48/833810048.db2.gz ZJBAZFSTWOIHOL-GFCCVEGCSA-N 1 0 306.370 -0.770 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001185881195 833814910 /nfs/dbraw/zinc/81/49/10/833814910.db2.gz CXOFBGNXZQDKFZ-DGCLKSJQSA-N 1 0 303.366 -0.029 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185925843 833816755 /nfs/dbraw/zinc/81/67/55/833816755.db2.gz OMSOJGZUHKLXIG-NWDGAFQWSA-N 1 0 303.366 -0.719 20 30 DBEDRO Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185976986 833818991 /nfs/dbraw/zinc/81/89/91/833818991.db2.gz JCRHCRMABTZTDM-GFCCVEGCSA-N 1 0 304.354 -0.978 20 30 DBEDRO C=C(C)CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992219 833819982 /nfs/dbraw/zinc/81/99/82/833819982.db2.gz GYRIWVZFHUSAFS-ZDUSSCGKSA-N 1 0 320.397 -0.017 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC001186091192 833831179 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CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CC12CCOCC2 ZINC001186309272 833842808 /nfs/dbraw/zinc/84/28/08/833842808.db2.gz FIEIXZHWHAMUJC-CHWSQXEVSA-N 1 0 322.409 -0.263 20 30 DBEDRO C#CCOCCC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186373390 833848123 /nfs/dbraw/zinc/84/81/23/833848123.db2.gz JGFNAPOFRSOXRH-HNNXBMFYSA-N 1 0 324.421 -0.137 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186384439 833848647 /nfs/dbraw/zinc/84/86/47/833848647.db2.gz NGUQDFIDTSGTCH-GFCCVEGCSA-N 1 0 310.398 -0.606 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC001186384365 833849248 /nfs/dbraw/zinc/84/92/48/833849248.db2.gz LMOQJNALQSWXCO-QWHCGFSZSA-N 1 0 317.393 -0.031 20 30 DBEDRO CCn1nc(C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)ccc1=O ZINC001186421092 833849908 /nfs/dbraw/zinc/84/99/08/833849908.db2.gz YGKIYQSOPZYMQL-CYBMUJFWSA-N 1 0 318.377 -0.283 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186405681 833850112 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ZINC001267953553 835611854 /nfs/dbraw/zinc/61/18/54/835611854.db2.gz ARBCSUDYUBOOMB-TZMCWYRMSA-N 1 0 308.382 -0.368 20 30 DBEDRO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001267955432 835613015 /nfs/dbraw/zinc/61/30/15/835613015.db2.gz VKXVAAUVEJGNLA-CQSZACIVSA-N 1 0 307.394 -0.115 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCN(C)C1=O ZINC001267963500 835614026 /nfs/dbraw/zinc/61/40/26/835614026.db2.gz SKSZFALFTDRMFV-OLZOCXBDSA-N 1 0 322.409 -0.653 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc[n+]([O-])cc1 ZINC001267976104 835615353 /nfs/dbraw/zinc/61/53/53/835615353.db2.gz LIKANKKUBXWMDU-QWHCGFSZSA-N 1 0 320.393 -0.034 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001267987006 835616212 /nfs/dbraw/zinc/61/62/12/835616212.db2.gz YKVDUMSFKDMSPR-UONOGXRCSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001267987004 835616229 /nfs/dbraw/zinc/61/62/29/835616229.db2.gz YKVDUMSFKDMSPR-KBPBESRZSA-N 1 0 309.410 -0.011 20 30 DBEDRO C[C@@H](CNC(=O)C#CC(C)(C)C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267986380 835616232 /nfs/dbraw/zinc/61/62/32/835616232.db2.gz RXOHWGVIJSGVTG-MNOVXSKESA-N 1 0 310.398 -0.039 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001267984490 835616336 /nfs/dbraw/zinc/61/63/36/835616336.db2.gz WYJLIJDEAVUUJP-NSHDSACASA-N 1 0 305.382 -0.323 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001267987007 835616449 /nfs/dbraw/zinc/61/64/49/835616449.db2.gz YKVDUMSFKDMSPR-ZIAGYGMSSA-N 1 0 309.410 -0.011 20 30 DBEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)CNC(=O)C#CC(C)C ZINC001267985077 835616477 /nfs/dbraw/zinc/61/64/77/835616477.db2.gz GXQSLETVYWENBV-CYBMUJFWSA-N 1 0 317.455 -0.073 20 30 DBEDRO C[C@H](CNC(=O)C#CC(C)(C)C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267986381 835616541 /nfs/dbraw/zinc/61/65/41/835616541.db2.gz RXOHWGVIJSGVTG-QWRGUYRKSA-N 1 0 310.398 -0.039 20 30 DBEDRO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)C[NH2+]CC(=O)NCC#N ZINC001267993737 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C=CC[NH2+]C1(CNC(=O)CN2CCN(C)C(=O)C2)CCCC1 ZINC001268045616 835625094 /nfs/dbraw/zinc/62/50/94/835625094.db2.gz KDEAOSRTHVXXOR-UHFFFAOYSA-N 1 0 308.426 -0.035 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](CCOCCO)C2)CC1 ZINC001268044014 835625153 /nfs/dbraw/zinc/62/51/53/835625153.db2.gz UVFXYOGUFDWMAJ-OAHLLOKOSA-N 1 0 324.421 -0.042 20 30 DBEDRO C#CC[NH2+]C1(CNC(=O)CCS(=O)(=O)N(C)C)CCCC1 ZINC001268041986 835625513 /nfs/dbraw/zinc/62/55/13/835625513.db2.gz HVTNBNVOUYGSCJ-UHFFFAOYSA-N 1 0 315.439 -0.080 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)c2cn[nH]n2)CCCC1 ZINC001268047076 835626130 /nfs/dbraw/zinc/62/61/30/835626130.db2.gz XOOGPZULCWKQPE-UHFFFAOYSA-N 1 0 306.370 -0.261 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1nccnc1N ZINC001268052539 835626243 /nfs/dbraw/zinc/62/62/43/835626243.db2.gz AYKXKJQEESVVGR-GHMZBOCLSA-N 1 0 320.397 -0.200 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1nccnc1N ZINC001268052543 835626261 /nfs/dbraw/zinc/62/62/61/835626261.db2.gz AYKXKJQEESVVGR-MNOVXSKESA-N 1 0 320.397 -0.200 20 30 DBEDRO C#CCC[NH+]1CC2(C1)CCN(C(=O)CS(=O)(=O)NC)CC2 ZINC001268047461 835626356 /nfs/dbraw/zinc/62/63/56/835626356.db2.gz CXPBDGSRBACFSN-UHFFFAOYSA-N 1 0 313.423 -0.517 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccnn1CC ZINC001268059751 835626909 /nfs/dbraw/zinc/62/69/09/835626909.db2.gz PPJRUZGXBBDBKF-LBPRGKRZSA-N 1 0 305.382 -0.298 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001268065834 835627745 /nfs/dbraw/zinc/62/77/45/835627745.db2.gz IFAPMBOEYOMYGS-CHWSQXEVSA-N 1 0 324.425 -0.359 20 30 DBEDRO COc1ccc(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)cn1 ZINC001268071464 835628303 /nfs/dbraw/zinc/62/83/03/835628303.db2.gz FUYXQBGOHWTRHT-LLVKDONJSA-N 1 0 319.365 -0.220 20 30 DBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCCCS1(=O)=O ZINC001268074709 835629087 /nfs/dbraw/zinc/62/90/87/835629087.db2.gz MHAOXOYTAGOZBP-ZDUSSCGKSA-N 1 0 315.439 -0.128 20 30 DBEDRO CCc1ncoc1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268085306 835630213 /nfs/dbraw/zinc/63/02/13/835630213.db2.gz OSGKRMNNTYFODJ-JTQLQIEISA-N 1 0 307.354 -0.073 20 30 DBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001268087312 835630377 /nfs/dbraw/zinc/63/03/77/835630377.db2.gz XAPNQMKMFKIAIU-VIFPVBQESA-N 1 0 313.383 -0.870 20 30 DBEDRO C=CCCn1cc(C(=O)N(C)[C@H](C)C[NH2+][C@@H]2CCNC2=O)nn1 ZINC001268090587 835630978 /nfs/dbraw/zinc/63/09/78/835630978.db2.gz VMMUOSGSYUZDNQ-VXGBXAGGSA-N 1 0 320.397 -0.207 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1c[nH]c(C)cc1=O ZINC001268093323 835631895 /nfs/dbraw/zinc/63/18/95/835631895.db2.gz XCHGKBCRAKDJBM-GFCCVEGCSA-N 1 0 318.377 -0.517 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1c[nH]c(C)cc1=O ZINC001268093327 835632081 /nfs/dbraw/zinc/63/20/81/835632081.db2.gz XCHGKBCRAKDJBM-LBPRGKRZSA-N 1 0 318.377 -0.517 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cnc1C ZINC001268096245 835632116 /nfs/dbraw/zinc/63/21/16/835632116.db2.gz MVWBECSCUWPQQV-NSHDSACASA-N 1 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835634225 /nfs/dbraw/zinc/63/42/25/835634225.db2.gz JHWBTDXCOCATGA-STQMWFEESA-N 1 0 305.382 -0.095 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001268127389 835634631 /nfs/dbraw/zinc/63/46/31/835634631.db2.gz JXUWXXUNIZLRHA-OLZOCXBDSA-N 1 0 322.434 -0.181 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001268131397 835634817 /nfs/dbraw/zinc/63/48/17/835634817.db2.gz UUYJDVHBXYCUQO-HIFRSBDPSA-N 1 0 309.410 -0.059 20 30 DBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@@H]1C ZINC001268132652 835635053 /nfs/dbraw/zinc/63/50/53/835635053.db2.gz AEAHNXSYENZPEE-NWDGAFQWSA-N 1 0 301.412 -0.485 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001268135029 835635184 /nfs/dbraw/zinc/63/51/84/835635184.db2.gz LVAPBPHVCLCOOS-RYUDHWBXSA-N 1 0 306.370 -0.700 20 30 DBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C[C@H]1C ZINC001268132656 835635212 /nfs/dbraw/zinc/63/52/12/835635212.db2.gz AEAHNXSYENZPEE-VXGBXAGGSA-N 1 0 301.412 -0.485 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001268129145 835635242 /nfs/dbraw/zinc/63/52/42/835635242.db2.gz QOLPMQADRIKPLE-NWDGAFQWSA-N 1 0 324.381 -0.952 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001268135030 835635255 /nfs/dbraw/zinc/63/52/55/835635255.db2.gz LVAPBPHVCLCOOS-VXGBXAGGSA-N 1 0 306.370 -0.700 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001268137354 835635784 /nfs/dbraw/zinc/63/57/84/835635784.db2.gz GRLLMLNXYVNONC-OCCSQVGLSA-N 1 0 317.393 -0.472 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C ZINC001268136133 835635833 /nfs/dbraw/zinc/63/58/33/835635833.db2.gz XHXIKYBWYBELTJ-NWDGAFQWSA-N 1 0 324.425 -0.373 20 30 DBEDRO C[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001268138154 835635901 /nfs/dbraw/zinc/63/59/01/835635901.db2.gz PSMKXKDKACGKRN-RYUDHWBXSA-N 1 0 318.381 -0.581 20 30 DBEDRO COCCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001268164543 835636304 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C=CCCn1cc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)nn1 ZINC001268287811 835648564 /nfs/dbraw/zinc/64/85/64/835648564.db2.gz LJHNIONXPONQEA-RYUDHWBXSA-N 1 0 320.397 -0.172 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268283347 835648695 /nfs/dbraw/zinc/64/86/95/835648695.db2.gz JZPWABKWMTVAPK-SSZWKKLZSA-N 1 0 319.405 -0.497 20 30 DBEDRO CCC(=O)NCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001268294710 835649576 /nfs/dbraw/zinc/64/95/76/835649576.db2.gz AKMVTSCGZCOWBX-OAHLLOKOSA-N 1 0 317.389 -0.369 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(F)c1 ZINC001268295858 835649633 /nfs/dbraw/zinc/64/96/33/835649633.db2.gz MFACFMWKNOQTGA-ZDUSSCGKSA-N 1 0 309.341 -0.192 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ocnc2C)C1=O ZINC001268299722 835650949 /nfs/dbraw/zinc/65/09/49/835650949.db2.gz DJNSMZQDLFDONA-RYUDHWBXSA-N 1 0 322.365 -0.550 20 30 DBEDRO N#CCSCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001268300148 835650995 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C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001220414333 979194224 /nfs/dbraw/zinc/19/42/24/979194224.db2.gz ZJOZBXFHOLAYNO-KWQFWETISA-N 1 0 324.381 -0.917 20 30 DBEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220415274 979194578 /nfs/dbraw/zinc/19/45/78/979194578.db2.gz DWNUOQSWCWDCPW-RNCFNFMXSA-N 1 0 304.310 -0.741 20 30 DBEDRO COC(=O)n1ncc(C#N)c1NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220415668 979194872 /nfs/dbraw/zinc/19/48/72/979194872.db2.gz SHFHFCFPZRXYDT-KKFJDGPESA-N 1 0 304.310 -0.470 20 30 DBEDRO C=CCC(C)(C)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220434653 979200897 /nfs/dbraw/zinc/20/08/97/979200897.db2.gz VFIJKVVFVHWYLD-OLZOCXBDSA-N 1 0 300.399 -0.241 20 30 DBEDRO COCC#CCN1C[C@@H](NC(=O)Cc2cscn2)[C@@H](O)C1 ZINC001220495511 979213134 /nfs/dbraw/zinc/21/31/34/979213134.db2.gz ZLCSYGVNRRMZTM-OLZOCXBDSA-N 1 0 309.391 -0.503 20 30 DBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H](O)C1 ZINC001220536413 979228752 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305.334 -0.325 20 30 DBEDRO COC(=O)c1ccc(C(N)=NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001220577626 979238501 /nfs/dbraw/zinc/23/85/01/979238501.db2.gz ZMQBTJFEBGSPQA-LRDDRELGSA-N 1 0 317.345 -0.059 20 30 DBEDRO COC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]C[C@@H](O)C2)cc1 ZINC001220577583 979239073 /nfs/dbraw/zinc/23/90/73/979239073.db2.gz XWDOITPDUKBLFQ-NEPJUHHUSA-N 1 0 305.334 -0.325 20 30 DBEDRO COC(=O)c1ccc(C(=N)NC(=O)[C@@H]([NH3+])COC(C)=O)cc1 ZINC001220577014 979239797 /nfs/dbraw/zinc/23/97/97/979239797.db2.gz ADIVMPGQRPQDEI-NSHDSACASA-N 1 0 307.306 -0.405 20 30 DBEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001220576841 979240051 /nfs/dbraw/zinc/24/00/51/979240051.db2.gz SNDLKMCPGFYHBU-NEPJUHHUSA-N 1 0 316.365 -0.135 20 30 DBEDRO COC(=O)c1ccc(C(=N)NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC001220577163 979240296 /nfs/dbraw/zinc/24/02/96/979240296.db2.gz GKEZMLREZHYJFZ-GFCCVEGCSA-N 1 0 315.333 -0.002 20 30 DBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C1 ZINC001220634945 979252486 /nfs/dbraw/zinc/25/24/86/979252486.db2.gz AYHYNZYVXPIVQE-BDAKNGLRSA-N 1 0 309.288 -0.598 20 30 DBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)C2(C(=O)N(C)C(C)C)CC2)[C@@H](O)C1 ZINC001220647067 979255782 /nfs/dbraw/zinc/25/57/82/979255782.db2.gz XGOGFGLETSJMHI-KGLIPLIRSA-N 1 0 321.421 -0.182 20 30 DBEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220660742 979258060 /nfs/dbraw/zinc/25/80/60/979258060.db2.gz AEKFNUANQUOSSJ-NEPJUHHUSA-N 1 0 309.370 -0.931 20 30 DBEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001220752581 979276944 /nfs/dbraw/zinc/27/69/44/979276944.db2.gz GCZWJPYHSPYZTK-NEPJUHHUSA-N 1 0 324.381 -0.992 20 30 DBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)C1 ZINC001220812684 979293536 /nfs/dbraw/zinc/29/35/36/979293536.db2.gz NIZOWDCKAAQXSC-ZNMIVQPWSA-N 1 0 309.410 -0.278 20 30 DBEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001220879257 979316278 /nfs/dbraw/zinc/31/62/78/979316278.db2.gz MZTSYKYHYJPAPE-OLZOCXBDSA-N 1 0 323.397 -0.982 20 30 DBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](O)C1 ZINC001220902684 979317931 /nfs/dbraw/zinc/31/79/31/979317931.db2.gz VAMGEWMPBKQFMN-NEPJUHHUSA-N 1 0 321.402 -0.338 20 30 DBEDRO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220919957 979321580 /nfs/dbraw/zinc/32/15/80/979321580.db2.gz KWQHLWBBSKBACD-YUTCNCBUSA-N 1 0 320.393 -0.090 20 30 DBEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001220913872 979323399 /nfs/dbraw/zinc/32/33/99/979323399.db2.gz RITORMQDZYRZHS-OLZOCXBDSA-N 1 0 306.366 -0.479 20 30 DBEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](O)C1 ZINC001221068090 979359394 /nfs/dbraw/zinc/35/93/94/979359394.db2.gz INVCZOXYHACJBO-CABCVRRESA-N 1 0 322.409 -0.283 20 30 DBEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221149982 979373626 /nfs/dbraw/zinc/37/36/26/979373626.db2.gz ISTZVQWHTDBDME-KGLIPLIRSA-N 1 0 316.398 -0.597 20 30 DBEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001488799922 1014571250 /nfs/dbraw/zinc/57/12/50/1014571250.db2.gz RGPXYDCAIYUGPZ-AOOOYVTPSA-N 1 0 309.819 -0.228 20 30 DBEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001221200138 979382011 /nfs/dbraw/zinc/38/20/11/979382011.db2.gz HQWCCIXTVFVLNA-UTUOFQBUSA-N 1 0 309.366 -0.833 20 30 DBEDRO N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221246160 979389705 /nfs/dbraw/zinc/38/97/05/979389705.db2.gz ROJGEGTVGBYFED-HNNXBMFYSA-N 1 0 300.362 -0.373 20 30 DBEDRO C=CCOC(=O)N1CCC(CNC(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001221298229 979396737 /nfs/dbraw/zinc/39/67/37/979396737.db2.gz HEJPTEOPOMTJKW-CYBMUJFWSA-N 1 0 310.398 -0.301 20 30 DBEDRO C=CCOC(=O)N1CCC(CNC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221298677 979396968 /nfs/dbraw/zinc/39/69/68/979396968.db2.gz XQWVVSZPEULNIX-OAHLLOKOSA-N 1 0 310.398 -0.172 20 30 DBEDRO C=CCOC(=O)N1CCC(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221298397 979397835 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318.421 -0.636 20 30 DBEDRO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)[C@@H]2C1 ZINC001222022524 979486034 /nfs/dbraw/zinc/48/60/34/979486034.db2.gz MMOODRGPDOQYTI-VXGBXAGGSA-N 1 0 301.412 -0.356 20 30 DBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CCNC(=O)[C@H]2CCCO2)C1 ZINC001222123462 979497089 /nfs/dbraw/zinc/49/70/89/979497089.db2.gz QXGKVHDVBJCVJF-ZIAGYGMSSA-N 1 0 307.394 -0.115 20 30 DBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCOC)C[C@@H]21 ZINC001222170534 979499122 /nfs/dbraw/zinc/49/91/22/979499122.db2.gz PDGGTKKTLMILHJ-KGLIPLIRSA-N 1 0 307.394 -0.305 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001222156233 979499697 /nfs/dbraw/zinc/49/96/97/979499697.db2.gz CKMFRVNWLJEIBN-QWHCGFSZSA-N 1 0 321.377 -0.730 20 30 DBEDRO C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 ZINC001222235892 979501170 /nfs/dbraw/zinc/50/11/70/979501170.db2.gz QNSWJVOPNMBMRU-KGLIPLIRSA-N 1 0 320.397 -0.202 20 30 DBEDRO C=CCNC(=O)C[NH+]1CCC(CNC(=O)CNC(C)=O)CC1 ZINC001222275246 979503526 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C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001496995869 1017176724 /nfs/dbraw/zinc/17/67/24/1017176724.db2.gz LIMZGHVCFORPEX-CHWSQXEVSA-N 1 0 318.439 -0.013 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cc(C)no1 ZINC001496997193 1017179887 /nfs/dbraw/zinc/17/98/87/1017179887.db2.gz FETDYAWDFVXFSX-ZFWWWQNUSA-N 1 0 320.393 -0.353 20 30 DBEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cn[nH]n2)s1 ZINC001497006284 1017188328 /nfs/dbraw/zinc/18/83/28/1017188328.db2.gz QSEXUHOCNIEHHN-MRVPVSSYSA-N 1 0 306.351 -0.382 20 30 DBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001497009466 1017190834 /nfs/dbraw/zinc/19/08/34/1017190834.db2.gz GXCTVHITZXEGIJ-VXGBXAGGSA-N 1 0 323.397 -0.421 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1(n2cnnn2)CCCCC1 ZINC001497032001 1017209929 /nfs/dbraw/zinc/20/99/29/1017209929.db2.gz GOVPOHGMPZXFPB-ZDUSSCGKSA-N 1 0 320.397 -0.578 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001497040637 1017218146 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DBEDRO COc1ccc(C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N)nn1 ZINC001497301627 1017335784 /nfs/dbraw/zinc/33/57/84/1017335784.db2.gz UFEFHNCDBDVDEB-JTQLQIEISA-N 1 0 320.353 -0.777 20 30 DBEDRO COc1cccnc1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001497317353 1017338357 /nfs/dbraw/zinc/33/83/57/1017338357.db2.gz KREGEAJKVBTHJJ-LLVKDONJSA-N 1 0 319.365 -0.172 20 30 DBEDRO COc1cccnc1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001497317354 1017338807 /nfs/dbraw/zinc/33/88/07/1017338807.db2.gz KREGEAJKVBTHJJ-NSHDSACASA-N 1 0 319.365 -0.172 20 30 DBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001497330775 1017344091 /nfs/dbraw/zinc/34/40/91/1017344091.db2.gz JISSYXNMEFBMDC-LBPRGKRZSA-N 1 0 318.377 -0.072 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)c1cn(C)nc1C ZINC001497361906 1017353762 /nfs/dbraw/zinc/35/37/62/1017353762.db2.gz LPQNOFMQYGWXHZ-ZDUSSCGKSA-N 1 0 319.409 -0.082 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)c1cc[nH]c(=O)c1 ZINC001497374460 1017356089 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C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCCC)cn1 ZINC001571446159 1026016436 /nfs/dbraw/zinc/01/64/36/1026016436.db2.gz YKQLRRKKPNOFRB-AWEZNQCLSA-N 1 0 318.377 -0.731 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)cn1 ZINC001571446117 1026017779 /nfs/dbraw/zinc/01/77/79/1026017779.db2.gz XSESQMFQSXGGHH-UONOGXRCSA-N 1 0 316.361 -0.978 20 30 DBEDRO Cc1cc(C)cc(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)c1 ZINC001571445518 1026017978 /nfs/dbraw/zinc/01/79/78/1026017978.db2.gz KIYURBSNONEXSK-CQSZACIVSA-N 1 0 318.377 -0.376 20 30 DBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001571446757 1026018569 /nfs/dbraw/zinc/01/85/69/1026018569.db2.gz MBNJLWAFJJGSPB-JTQLQIEISA-N 1 0 307.354 -0.778 20 30 DBEDRO CCc1ncncc1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001571446384 1026019350 /nfs/dbraw/zinc/01/93/50/1026019350.db2.gz DCUKWTWTNZQVTK-LBPRGKRZSA-N 1 0 306.366 -0.631 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cnc(CC)s1 ZINC001571447729 1026020740 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SKNALNYLXZCFHI-ZDUSSCGKSA-N 1 0 313.398 -0.468 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C(C)=O)C1=O ZINC001321789685 806670346 /nfs/dbraw/zinc/67/03/46/806670346.db2.gz FGMRIDSRKHSGDR-WCQYABFASA-N 1 0 310.398 -0.654 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001321812233 806673652 /nfs/dbraw/zinc/67/36/52/806673652.db2.gz OYNSUWALKCOHFJ-VHSXEESVSA-N 1 0 308.386 -0.478 20 30 DBEDRO C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)Cn1ncnn1 ZINC001321850406 806679237 /nfs/dbraw/zinc/67/92/37/806679237.db2.gz XZUAFFZGVXKTPZ-LBPRGKRZSA-N 1 0 316.340 -0.042 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1c(C2CC2)cnn1C ZINC001321870891 806682409 /nfs/dbraw/zinc/68/24/09/806682409.db2.gz QTQCTNDVFDMVEA-NSHDSACASA-N 1 0 317.393 -0.245 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001321887420 806684237 /nfs/dbraw/zinc/68/42/37/806684237.db2.gz UJZRJXVYFTXGSI-GXSJLCMTSA-N 1 0 321.381 -0.081 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cc(OC)n(C)n1 ZINC001321914945 806687040 /nfs/dbraw/zinc/68/70/40/806687040.db2.gz FELDPQCBLKXJJJ-WDEREUQCSA-N 1 0 321.381 -0.726 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001321949524 806691825 /nfs/dbraw/zinc/69/18/25/806691825.db2.gz IDBKAQDTXNUSTC-QWHCGFSZSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1ncccc1F ZINC001321957403 806693113 /nfs/dbraw/zinc/69/31/13/806693113.db2.gz GZLSEUMABIHIAL-NSHDSACASA-N 1 0 306.341 -0.393 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1ncccc1F ZINC001321958631 806693166 /nfs/dbraw/zinc/69/31/66/806693166.db2.gz PYNIHRBHNKDREB-NWDGAFQWSA-N 1 0 320.368 -0.005 20 30 DBEDRO CN1CC[NH+](CCCCNC(=O)N2CCO[C@H](C#N)C2)CC1 ZINC001321981857 806696924 /nfs/dbraw/zinc/69/69/24/806696924.db2.gz UAFQCFHUHWGABH-CQSZACIVSA-N 1 0 309.414 -0.052 20 30 DBEDRO C#CCNC(=O)CN1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874382450 806706936 /nfs/dbraw/zinc/70/69/36/806706936.db2.gz DRKYRXKWTNZLMU-UHFFFAOYSA-N 1 0 306.410 -0.634 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)COc1ccccc1 ZINC001322054306 806706326 /nfs/dbraw/zinc/70/63/26/806706326.db2.gz KRBIDJNHXHGKNG-LBPRGKRZSA-N 1 0 304.350 -0.201 20 30 DBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)c2cn(C)nn2)C1=O ZINC001322148685 806715454 /nfs/dbraw/zinc/71/54/54/806715454.db2.gz RAZGLIFIBJEOFE-YPMHNXCESA-N 1 0 320.397 -0.348 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H](C)CN(C)CC(=O)N(C)C)nn1 ZINC001322260465 806727754 /nfs/dbraw/zinc/72/77/54/806727754.db2.gz APODFADIJWZGBD-LLVKDONJSA-N 1 0 308.386 -0.398 20 30 DBEDRO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000875059126 806726871 /nfs/dbraw/zinc/72/68/71/806726871.db2.gz JOQJAPPFDGGWNJ-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000875084298 806728554 /nfs/dbraw/zinc/72/85/54/806728554.db2.gz VWPZSUNOQPYZCY-BFHYXJOUSA-N 1 0 307.394 -0.116 20 30 DBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001322286375 806731219 /nfs/dbraw/zinc/73/12/19/806731219.db2.gz RTCPZURPMKMUDB-DGCLKSJQSA-N 1 0 301.412 -0.472 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298716 806732502 /nfs/dbraw/zinc/73/25/02/806732502.db2.gz NGTUEAKSHDGADH-ZIAGYGMSSA-N 1 0 308.426 -0.343 20 30 DBEDRO C#CC[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000875181946 806735800 /nfs/dbraw/zinc/73/58/00/806735800.db2.gz ABHJAGBMUAJEHS-AWEZNQCLSA-N 1 0 307.394 -0.093 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC(N)=O)nn1 ZINC001322360918 806735920 /nfs/dbraw/zinc/73/59/20/806735920.db2.gz RBRNASAKVCHZKF-RYUDHWBXSA-N 1 0 320.397 -0.172 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1nnn(C)c1C ZINC001322451889 806740892 /nfs/dbraw/zinc/74/08/92/806740892.db2.gz GWEZMNHTVRTTAY-LLVKDONJSA-N 1 0 320.397 -0.687 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001322483283 806744916 /nfs/dbraw/zinc/74/49/16/806744916.db2.gz OKVHITVTBPOFLJ-HZMBPMFUSA-N 1 0 314.386 -0.665 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C#CC(C)(C)C ZINC001322503607 806747455 /nfs/dbraw/zinc/74/74/55/806747455.db2.gz XKKOLNZXYMLERB-UHFFFAOYSA-N 1 0 310.398 -0.070 20 30 DBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1COC(=O)C1 ZINC001322469688 806742905 /nfs/dbraw/zinc/74/29/05/806742905.db2.gz GYFXAYJBIZIVLR-NSHDSACASA-N 1 0 310.354 -0.983 20 30 DBEDRO C[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001322519396 806748581 /nfs/dbraw/zinc/74/85/81/806748581.db2.gz FDWYFUWDRXFVGG-ZIAGYGMSSA-N 1 0 322.409 -0.026 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001322531231 806750250 /nfs/dbraw/zinc/75/02/50/806750250.db2.gz PSVMXUYZFHWKLH-ZDUSSCGKSA-N 1 0 322.409 -0.958 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001322531230 806750291 /nfs/dbraw/zinc/75/02/91/806750291.db2.gz PSVMXUYZFHWKLH-CYBMUJFWSA-N 1 0 322.409 -0.958 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 ZINC001322543421 806750754 /nfs/dbraw/zinc/75/07/54/806750754.db2.gz NHRHUYLCNRUFEN-LBPRGKRZSA-N 1 0 323.397 -0.978 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001322555371 806753045 /nfs/dbraw/zinc/75/30/45/806753045.db2.gz PPYBTVJVFXCPSR-CHWSQXEVSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1cc(OC)n(C)n1 ZINC001322604844 806759774 /nfs/dbraw/zinc/75/97/74/806759774.db2.gz KDVVIEIZWASKJK-UHFFFAOYSA-N 1 0 321.381 -0.770 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001322607298 806759930 /nfs/dbraw/zinc/75/99/30/806759930.db2.gz MYAUHVWPDOCSOY-GFCCVEGCSA-N 1 0 322.409 -0.558 20 30 DBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)Cc1ncccc1F ZINC001322663210 806766344 /nfs/dbraw/zinc/76/63/44/806766344.db2.gz YCDKNWCWAXVZDR-UHFFFAOYSA-N 1 0 321.356 -0.159 20 30 DBEDRO C#C[C@@H]1COCCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000875800407 806766788 /nfs/dbraw/zinc/76/67/88/806766788.db2.gz 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/nfs/dbraw/zinc/78/05/86/807780586.db2.gz QUNQZFUKMGDCOV-HNNXBMFYSA-N 1 0 312.373 -0.036 20 30 DBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1CC ZINC001037982716 815146965 /nfs/dbraw/zinc/14/69/65/815146965.db2.gz BVCUTTNXTDRUOG-OLZOCXBDSA-N 1 0 320.393 -0.270 20 30 DBEDRO N#Cc1ccccc1C[NH2+]CCCOCCNC(=O)C(N)=O ZINC001331236458 807782456 /nfs/dbraw/zinc/78/24/56/807782456.db2.gz DAMLMQAJERDVDA-UHFFFAOYSA-N 1 0 304.350 -0.344 20 30 DBEDRO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001331306129 807787142 /nfs/dbraw/zinc/78/71/42/807787142.db2.gz JOGOMMCFYAOPOR-AWEZNQCLSA-N 1 0 321.425 -0.311 20 30 DBEDRO Cc1n[nH]nc1C(=O)N(C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001331307855 807787188 /nfs/dbraw/zinc/78/71/88/807787188.db2.gz BUCDJTGKXFHQRV-NSHDSACASA-N 1 0 319.369 -0.807 20 30 DBEDRO CN(C(=O)c1ncccn1)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001331339691 807788621 /nfs/dbraw/zinc/78/86/21/807788621.db2.gz NSHZRIRZBBUEIU-GFCCVEGCSA-N 1 0 316.365 -0.443 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)=O)C1=O ZINC001331390194 807792271 /nfs/dbraw/zinc/79/22/71/807792271.db2.gz TVINQFYOXRHJGI-GXTWGEPZSA-N 1 0 324.425 -0.312 20 30 DBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C[C@@H]1CC ZINC001037985833 815147905 /nfs/dbraw/zinc/14/79/05/815147905.db2.gz XOAVHILTRKHUHN-NWDGAFQWSA-N 1 0 320.397 -0.220 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001331507588 807794381 /nfs/dbraw/zinc/79/43/81/807794381.db2.gz VHDSIVOSAIXNNS-KGLIPLIRSA-N 1 0 324.425 -0.137 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1ccnc(OC)n1 ZINC001331507493 807794635 /nfs/dbraw/zinc/79/46/35/807794635.db2.gz UARZQGORXXPNMW-NSHDSACASA-N 1 0 319.365 -0.715 20 30 DBEDRO C#Cc1cccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)c1 ZINC000927877345 807797066 /nfs/dbraw/zinc/79/70/66/807797066.db2.gz MUYDITGFOWEWFU-UHFFFAOYSA-N 1 0 300.362 -0.372 20 30 DBEDRO Cc1cccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)c1C#N ZINC000927877774 807797323 /nfs/dbraw/zinc/79/73/23/807797323.db2.gz HSOYRFHICWUDRN-UHFFFAOYSA-N 1 0 315.377 -0.173 20 30 DBEDRO N#CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC001331588156 807798672 /nfs/dbraw/zinc/79/86/72/807798672.db2.gz FYALVDDXENAMIU-GFCCVEGCSA-N 1 0 302.334 -0.317 20 30 DBEDRO C=CCn1cc(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N2CCC2)nn1 ZINC001331586490 807799036 /nfs/dbraw/zinc/79/90/36/807799036.db2.gz RWDNYGQXKDGCSY-GFCCVEGCSA-N 1 0 320.397 -0.254 20 30 DBEDRO COc1cccnc1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001331611792 807802038 /nfs/dbraw/zinc/80/20/38/807802038.db2.gz KMZISUPESFMSGA-LLVKDONJSA-N 1 0 319.365 -0.220 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001331643870 807806993 /nfs/dbraw/zinc/80/69/93/807806993.db2.gz JWVHMAUZVLBWQJ-QWHCGFSZSA-N 1 0 316.423 -0.350 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccccc1F ZINC001331667980 807812085 /nfs/dbraw/zinc/81/20/85/807812085.db2.gz SJOCHPALICOFPX-JTQLQIEISA-N 1 0 308.313 -0.854 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccccn1 ZINC001331666948 807812550 /nfs/dbraw/zinc/81/25/50/807812550.db2.gz RUFQLRFYMHTOCV-NWDGAFQWSA-N 1 0 306.366 -0.547 20 30 DBEDRO CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001331669469 807813700 /nfs/dbraw/zinc/81/37/00/807813700.db2.gz ZESUBEABWUZXLF-HNNXBMFYSA-N 1 0 317.389 -0.369 20 30 DBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331690492 807816410 /nfs/dbraw/zinc/81/64/10/807816410.db2.gz JZUOXJHGXUNHGI-QWRGUYRKSA-N 1 0 315.320 -0.792 20 30 DBEDRO C#CC[NH+]1CCC(NC(=O)CCC(=O)N2CCOCC2)CC1 ZINC000928661060 807816738 /nfs/dbraw/zinc/81/67/38/807816738.db2.gz MJUCGSRXYBKOGF-UHFFFAOYSA-N 1 0 307.394 -0.161 20 30 DBEDRO C#CC[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000928659650 807817330 /nfs/dbraw/zinc/81/73/30/807817330.db2.gz WCBDSEJRLGESEB-UHFFFAOYSA-N 1 0 324.406 -0.500 20 30 DBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC1 ZINC000928651159 807817412 /nfs/dbraw/zinc/81/74/12/807817412.db2.gz PBZOWHVDXKERDT-LLVKDONJSA-N 1 0 301.412 -0.472 20 30 DBEDRO C#CC[NH+]1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000928658654 807817514 /nfs/dbraw/zinc/81/75/14/807817514.db2.gz XBYMYVZINYDOQK-UHFFFAOYSA-N 1 0 304.350 -0.860 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1ccoc1 ZINC001331707095 807818272 /nfs/dbraw/zinc/81/82/72/807818272.db2.gz MFDYXCWMMDFRMY-WCQYABFASA-N 1 0 307.350 -0.973 20 30 DBEDRO CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001331711409 807818988 /nfs/dbraw/zinc/81/89/88/807818988.db2.gz GMWADBRBRKJPKE-ZDUSSCGKSA-N 1 0 310.398 -0.826 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]Cc1ncccc1C ZINC001331711194 807819203 /nfs/dbraw/zinc/81/92/03/807819203.db2.gz FXXBQYBCQGXDIJ-UONOGXRCSA-N 1 0 305.378 -0.005 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1c(C)ccn1C ZINC001331709495 807819265 /nfs/dbraw/zinc/81/92/65/807819265.db2.gz XMDXZOUXNSBBPS-GFCCVEGCSA-N 1 0 308.382 -0.684 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001331738702 807822917 /nfs/dbraw/zinc/82/29/17/807822917.db2.gz IBVTVMRFCYKGAQ-LBPRGKRZSA-N 1 0 306.366 -0.634 20 30 DBEDRO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001331755867 807825617 /nfs/dbraw/zinc/82/56/17/807825617.db2.gz QEOYKQUTCLMNIS-LBPRGKRZSA-N 1 0 319.427 -0.461 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cocc1C ZINC001331770965 807827975 /nfs/dbraw/zinc/82/79/75/807827975.db2.gz JDUUYEAKFYRMHC-NWDGAFQWSA-N 1 0 309.366 -0.041 20 30 DBEDRO O=C(NC[C@@H](CO)[NH2+]CC#Cc1ccccc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001331772789 807829582 /nfs/dbraw/zinc/82/95/82/807829582.db2.gz RFRZBWWEFVGIHA-MWDXBVQZSA-N 1 0 314.385 -0.003 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1(c2cccnc2)CC1 ZINC001331774967 807830679 /nfs/dbraw/zinc/83/06/79/807830679.db2.gz PZQKEVIXDHQRDW-HNNXBMFYSA-N 1 0 317.389 -0.170 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CC(C)(F)F)C1=O ZINC001331788095 807833339 /nfs/dbraw/zinc/83/33/39/807833339.db2.gz PKHDLIKCHFOKEI-QWRGUYRKSA-N 1 0 319.352 -0.115 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1[nH]c(C)nc1C ZINC001331790068 807833352 /nfs/dbraw/zinc/83/33/52/807833352.db2.gz MOPUQYHHXNCXBI-JQWIXIFHSA-N 1 0 323.397 -0.602 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001331802913 807835064 /nfs/dbraw/zinc/83/50/64/807835064.db2.gz FLGLERGBRAFUMK-HZSPNIEDSA-N 1 0 307.394 -0.761 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CNC(=O)c1cccs1 ZINC001331821646 807837857 /nfs/dbraw/zinc/83/78/57/807837857.db2.gz ZPVHGWSULCHROD-LLVKDONJSA-N 1 0 309.391 -0.432 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)nc1 ZINC001331823985 807839107 /nfs/dbraw/zinc/83/91/07/807839107.db2.gz GTYKWGWSQVZDDQ-TZMCWYRMSA-N 1 0 316.361 -0.978 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001331836680 807840611 /nfs/dbraw/zinc/84/06/11/807840611.db2.gz UBARZGKSWOHJCO-UONOGXRCSA-N 1 0 321.421 -0.133 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001331836681 807840757 /nfs/dbraw/zinc/84/07/57/807840757.db2.gz UBARZGKSWOHJCO-ZIAGYGMSSA-N 1 0 321.421 -0.133 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2c[nH]cc2C)C1=O ZINC001331837150 807841277 /nfs/dbraw/zinc/84/12/77/807841277.db2.gz WEHWMJINYXAWIS-TZMCWYRMSA-N 1 0 320.393 -0.210 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001331840250 807842168 /nfs/dbraw/zinc/84/21/68/807842168.db2.gz HMYDXXMXLNHNPW-LBPRGKRZSA-N 1 0 316.361 -0.018 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(CF)cc1 ZINC001331843803 807842998 /nfs/dbraw/zinc/84/29/98/807842998.db2.gz YAMLSNPCEKQKJN-ZDUSSCGKSA-N 1 0 322.340 -0.524 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001331871002 807845212 /nfs/dbraw/zinc/84/52/12/807845212.db2.gz WDFMXRPSDJJZOL-OLZOCXBDSA-N 1 0 324.425 -0.135 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001331876220 807846828 /nfs/dbraw/zinc/84/68/28/807846828.db2.gz DXXZVHFFKMXGDP-BXUZGUMPSA-N 1 0 313.361 -0.172 20 30 DBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1c[nH]cn1 ZINC001331896022 807849006 /nfs/dbraw/zinc/84/90/06/807849006.db2.gz JQENVUAUFBZSRP-WCQYABFASA-N 1 0 318.381 -0.439 20 30 DBEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1C ZINC001331918855 807852378 /nfs/dbraw/zinc/85/23/78/807852378.db2.gz MCGLDFOZTABGGT-NEPJUHHUSA-N 1 0 318.443 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=COCCO2)C1 ZINC001331955056 807855550 /nfs/dbraw/zinc/85/55/50/807855550.db2.gz UMHNCECLTFTHDN-NWDGAFQWSA-N 1 0 307.350 -0.797 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC(=O)NC)C1 ZINC001331976955 807857673 /nfs/dbraw/zinc/85/76/73/807857673.db2.gz NEVBFZIKDMEBPE-QWHCGFSZSA-N 1 0 324.425 -0.216 20 30 DBEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)Cc1ccn(C)n1 ZINC001331977394 807858129 /nfs/dbraw/zinc/85/81/29/807858129.db2.gz OHNFJCGLARAQPH-YPMHNXCESA-N 1 0 318.381 -0.819 20 30 DBEDRO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 ZINC001331996053 807859235 /nfs/dbraw/zinc/85/92/35/807859235.db2.gz LIDNHWQKVDCMRV-QWHCGFSZSA-N 1 0 316.423 -0.350 20 30 DBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCS2(=O)=O)C1 ZINC001331995991 807859623 /nfs/dbraw/zinc/85/96/23/807859623.db2.gz LCGYSBUQLJYXHA-QWHCGFSZSA-N 1 0 313.423 -0.376 20 30 DBEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCN1C1CC1 ZINC001331998983 807859816 /nfs/dbraw/zinc/85/98/16/807859816.db2.gz WYIRLHFGLGZWOX-DGCLKSJQSA-N 1 0 305.382 -0.865 20 30 DBEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CS(=O)(=O)CCOC)C1 ZINC001331996056 807859830 /nfs/dbraw/zinc/85/98/30/807859830.db2.gz LIDNHWQKVDCMRV-STQMWFEESA-N 1 0 316.423 -0.350 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2cn[nH]n2)C1 ZINC001332031252 807863428 /nfs/dbraw/zinc/86/34/28/807863428.db2.gz WURUMTRIMAEXRX-OCCSQVGLSA-N 1 0 305.382 -0.034 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccnc(C)n2)C1 ZINC001332047550 807865935 /nfs/dbraw/zinc/86/59/35/807865935.db2.gz KPRGEZSPGOEALD-YPMHNXCESA-N 1 0 315.377 -0.273 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(=O)NCC2CC2)C1 ZINC001332052259 807866806 /nfs/dbraw/zinc/86/68/06/807866806.db2.gz XQTKGHSFDKGRPM-YPMHNXCESA-N 1 0 322.409 -0.606 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC001332052194 807867310 /nfs/dbraw/zinc/86/73/10/807867310.db2.gz XGLQILLCGLAGMA-WDEREUQCSA-N 1 0 306.370 -0.772 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C(=O)NCC2CC2)C1 ZINC001332052256 807867340 /nfs/dbraw/zinc/86/73/40/807867340.db2.gz XQTKGHSFDKGRPM-AAEUAGOBSA-N 1 0 322.409 -0.606 20 30 DBEDRO C=CCN1CC[C@@H]([N@H+](C)CC2CN(S(C)(=O)=O)C2)C1=O ZINC000930310945 807873505 /nfs/dbraw/zinc/87/35/05/807873505.db2.gz UVTMMJBQNOOVRP-GFCCVEGCSA-N 1 0 301.412 -0.404 20 30 DBEDRO C#CCC[N@@H+]1CC[C@@]2(NC(=O)CS(=O)(=O)NC)CCC[C@@H]12 ZINC001332119949 807874771 /nfs/dbraw/zinc/87/47/71/807874771.db2.gz UGMBLCRJBALCCR-OCCSQVGLSA-N 1 0 313.423 -0.328 20 30 DBEDRO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CS(=O)(=O)NC)C[C@@H]21 ZINC001332147066 807878617 /nfs/dbraw/zinc/87/86/17/807878617.db2.gz OFSQXVXUURVIHE-FRRDWIJNSA-N 1 0 313.423 -0.615 20 30 DBEDRO C#C[C@@H](NC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)[C@H]1CCCO1 ZINC000930466018 807879117 /nfs/dbraw/zinc/87/91/17/807879117.db2.gz HHZCPLJJEPEYQN-WBOJAVRRSA-N 1 0 319.405 -0.307 20 30 DBEDRO CC#CC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)CC)[C@@H]1C ZINC001332185793 807881876 /nfs/dbraw/zinc/88/18/76/807881876.db2.gz QQAFJDKBPJRCKS-STQMWFEESA-N 1 0 315.439 -0.082 20 30 DBEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001332247668 807889585 /nfs/dbraw/zinc/88/95/85/807889585.db2.gz FOSQTUZRLYIFJW-PVXIVEMSSA-N 1 0 320.393 -0.538 20 30 DBEDRO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001332271675 807892443 /nfs/dbraw/zinc/89/24/43/807892443.db2.gz LFFPYMLDFIVFHZ-STQMWFEESA-N 1 0 313.423 -0.470 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001332272194 807892475 /nfs/dbraw/zinc/89/24/75/807892475.db2.gz PKAJIWHSKOYEDJ-QWHCGFSZSA-N 1 0 315.439 -0.224 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001332272192 807892641 /nfs/dbraw/zinc/89/26/41/807892641.db2.gz PKAJIWHSKOYEDJ-CHWSQXEVSA-N 1 0 315.439 -0.224 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2csnn2)C1 ZINC001332293963 807895530 /nfs/dbraw/zinc/89/55/30/807895530.db2.gz SHHSULJFZORHHV-VHSXEESVSA-N 1 0 322.394 -0.334 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2csnn2)C1 ZINC001332293965 807895591 /nfs/dbraw/zinc/89/55/91/807895591.db2.gz SHHSULJFZORHHV-ZJUUUORDSA-N 1 0 322.394 -0.334 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2csnn2)C1 ZINC001332293960 807896020 /nfs/dbraw/zinc/89/60/20/807896020.db2.gz SHHSULJFZORHHV-NXEZZACHSA-N 1 0 322.394 -0.334 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CSCC#N)CC1(C)C ZINC001332346046 807902615 /nfs/dbraw/zinc/90/26/15/807902615.db2.gz VBLIWMIILUBYKP-GFCCVEGCSA-N 1 0 322.434 -0.181 20 30 DBEDRO C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931095246 807907787 /nfs/dbraw/zinc/90/77/87/807907787.db2.gz YDFXHADARTWZBU-JJRVBVJISA-N 1 0 321.421 -0.059 20 30 DBEDRO CCN1C[C@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@H]1C ZINC001332375361 807908488 /nfs/dbraw/zinc/90/84/88/807908488.db2.gz CSSUVDUJJCAREY-DVOMOZLQSA-N 1 0 322.409 -0.195 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC001332397754 807912935 /nfs/dbraw/zinc/91/29/35/807912935.db2.gz JXZKNAJXGLWOGO-JQWIXIFHSA-N 1 0 320.397 -0.064 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1(C)C ZINC001332428246 807916548 /nfs/dbraw/zinc/91/65/48/807916548.db2.gz NKYGGWUOBBQWBS-QWHCGFSZSA-N 1 0 324.425 -0.231 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931486111 807922855 /nfs/dbraw/zinc/92/28/55/807922855.db2.gz MGHPGNZJSFRFLA-LBPRGKRZSA-N 1 0 312.414 -0.225 20 30 DBEDRO C=CCn1nnnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001332473911 807924059 /nfs/dbraw/zinc/92/40/59/807924059.db2.gz NCPHUORFRAPCPB-UHFFFAOYSA-N 1 0 307.402 -0.151 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001332487185 807925967 /nfs/dbraw/zinc/92/59/67/807925967.db2.gz FMENGTKVINYHFO-RMRHIDDWSA-N 1 0 307.394 -0.809 20 30 DBEDRO C=CCOCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001332490816 807927131 /nfs/dbraw/zinc/92/71/31/807927131.db2.gz OCGUURPMLRGBLE-QWHCGFSZSA-N 1 0 313.398 -0.781 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C)C1=O ZINC001332503824 807928533 /nfs/dbraw/zinc/92/85/33/807928533.db2.gz LWRYLZZBXIXNFK-HUUCEWRRSA-N 1 0 321.421 -0.158 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C)C1=O ZINC001332503825 807928623 /nfs/dbraw/zinc/92/86/23/807928623.db2.gz LWRYLZZBXIXNFK-LSDHHAIUSA-N 1 0 321.421 -0.158 20 30 DBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnns1 ZINC001332503271 807928635 /nfs/dbraw/zinc/92/86/35/807928635.db2.gz GJZVLBFCEGKZPT-MNOVXSKESA-N 1 0 312.395 -0.515 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)N1CCCC1 ZINC001332503089 807928747 /nfs/dbraw/zinc/92/87/47/807928747.db2.gz FJFJDEJDMGSPEZ-CYBMUJFWSA-N 1 0 312.414 -0.223 20 30 DBEDRO CC[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001332505303 807930005 /nfs/dbraw/zinc/93/00/05/807930005.db2.gz WOGHRQHCWSPWIC-OCCSQVGLSA-N 1 0 309.410 -0.277 20 30 DBEDRO CN1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)[C@@H](C[NH3+])C1 ZINC001332506382 807930606 /nfs/dbraw/zinc/93/06/06/807930606.db2.gz DHQMPZPZRCLAET-ICFTUWFRSA-N 1 0 321.381 -0.996 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ncn(-c2ccccc2)n1 ZINC001332527935 807933445 /nfs/dbraw/zinc/93/34/45/807933445.db2.gz FQQJMWJAWGRABT-AWEZNQCLSA-N 1 0 313.361 -0.077 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001332527979 807933775 /nfs/dbraw/zinc/93/37/75/807933775.db2.gz FZWNBXCSTJHPJO-UONOGXRCSA-N 1 0 304.394 -0.204 20 30 DBEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001332536282 807934653 /nfs/dbraw/zinc/93/46/53/807934653.db2.gz FKVZOBLIYWXCSF-OLZOCXBDSA-N 1 0 318.439 -0.204 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccccc1 ZINC001332530928 807934755 /nfs/dbraw/zinc/93/47/55/807934755.db2.gz YJQPIFPIIHUYAK-HNNXBMFYSA-N 1 0 317.389 -0.613 20 30 DBEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001332536284 807935413 /nfs/dbraw/zinc/93/54/13/807935413.db2.gz FKVZOBLIYWXCSF-STQMWFEESA-N 1 0 318.439 -0.204 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)COc1c(C)occc1=O ZINC001332536868 807935758 /nfs/dbraw/zinc/93/57/58/807935758.db2.gz NPVKTDIHANWZNY-CYBMUJFWSA-N 1 0 322.361 -0.241 20 30 DBEDRO C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001332550623 807936281 /nfs/dbraw/zinc/93/62/81/807936281.db2.gz HNEQAJBPXZUPJJ-GFCCVEGCSA-N 1 0 312.414 -0.367 20 30 DBEDRO C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001332553266 807937274 /nfs/dbraw/zinc/93/72/74/807937274.db2.gz UMGJISQPQSJAFG-UWVGGRQHSA-N 1 0 314.386 -0.809 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2nnnc2c1 ZINC001332551640 807937397 /nfs/dbraw/zinc/93/73/97/807937397.db2.gz LLCXTGVCBNTAGW-GFCCVEGCSA-N 1 0 302.338 -0.830 20 30 DBEDRO C#Cc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCNC2=O)cc1 ZINC001332553518 807937569 /nfs/dbraw/zinc/93/75/69/807937569.db2.gz VJCPZFIOTOHPQP-LSDHHAIUSA-N 1 0 315.373 -0.421 20 30 DBEDRO C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000931874761 807940914 /nfs/dbraw/zinc/94/09/14/807940914.db2.gz PXWXHUQBDBBANP-OAHLLOKOSA-N 1 0 320.437 -0.247 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001332578834 807942132 /nfs/dbraw/zinc/94/21/32/807942132.db2.gz QIDLHRGARLSAGB-IHRRRGAJSA-N 1 0 300.399 -0.241 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccc(C)cc1=O ZINC001332578220 807942186 /nfs/dbraw/zinc/94/21/86/807942186.db2.gz MYLBFYZAICKMLP-CQSZACIVSA-N 1 0 305.378 -0.411 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c(C)cc(C)nc1=O ZINC001332586708 807943885 /nfs/dbraw/zinc/94/38/85/807943885.db2.gz IZHAMXJHTGGCBD-CQSZACIVSA-N 1 0 322.409 -0.155 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001332586721 807943950 /nfs/dbraw/zinc/94/39/50/807943950.db2.gz JBCUKPFULFYHTN-NSHDSACASA-N 1 0 324.381 -0.276 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C1CCC=CCC1 ZINC001332604411 807947402 /nfs/dbraw/zinc/94/74/02/807947402.db2.gz AHKAIGPRUVTNQL-AWEZNQCLSA-N 1 0 322.409 -0.219 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(-n2cnnn2)c1 ZINC001332602961 807947444 /nfs/dbraw/zinc/94/74/44/807947444.db2.gz UGYHDHXLTRYYQF-AWEZNQCLSA-N 1 0 316.365 -0.129 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]cc1C ZINC001332605102 807948355 /nfs/dbraw/zinc/94/83/55/807948355.db2.gz GUJMUAPCJIQNMT-QWHCGFSZSA-N 1 0 320.393 -0.516 20 30 DBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001332618572 807950598 /nfs/dbraw/zinc/95/05/98/807950598.db2.gz LJQBBYZULVDXNN-ZDUSSCGKSA-N 1 0 308.382 -0.267 20 30 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315.439 -0.034 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1ccnc1 ZINC001176824306 833420903 /nfs/dbraw/zinc/42/09/03/833420903.db2.gz CUCGLBYSWPZHCO-CQSZACIVSA-N 1 0 319.409 -0.103 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 ZINC001121806210 829514090 /nfs/dbraw/zinc/51/40/90/829514090.db2.gz JASQZLBBYWZIHH-AWEZNQCLSA-N 1 0 321.381 -0.580 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1ncccc1C#N ZINC001121807361 829514176 /nfs/dbraw/zinc/51/41/76/829514176.db2.gz SNVGSDCPTUWRBV-CYBMUJFWSA-N 1 0 321.381 -0.580 20 30 DBEDRO CCC[N@H+](C)CCC(=O)NC[C@H](CO)Nc1nccnc1C#N ZINC001121840378 829518278 /nfs/dbraw/zinc/51/82/78/829518278.db2.gz SEBNYBQLPCFPBE-GFCCVEGCSA-N 1 0 320.397 -0.031 20 30 DBEDRO CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1ccncc1C#N)[NH+](C)C ZINC001121841161 829518334 /nfs/dbraw/zinc/51/83/34/829518334.db2.gz YJLLCSIFWWBREN-DZGCQCFKSA-N 1 0 319.409 -0.150 20 30 DBEDRO CC(C)[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)[NH+](C)C ZINC001121838646 829518477 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C=CC[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001176739273 833418309 /nfs/dbraw/zinc/41/83/09/833418309.db2.gz WIGCXVYMLIPXAU-CYBMUJFWSA-N 1 0 322.413 -0.155 20 30 DBEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)Cn1ccnc1 ZINC001176828517 833420787 /nfs/dbraw/zinc/42/07/87/833420787.db2.gz BUJNXVUORBFZRL-ZDUSSCGKSA-N 1 0 320.397 -0.213 20 30 DBEDRO CC[N@H+](C)CCC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001122026548 829540944 /nfs/dbraw/zinc/54/09/44/829540944.db2.gz CWJVXKVZOJTRPT-LBPRGKRZSA-N 1 0 306.370 -0.421 20 30 DBEDRO C[NH+](C)[C@@H](C(=O)NC[C@H](CO)Nc1ccc(C#N)nn1)C1CC1 ZINC001122152620 829551451 /nfs/dbraw/zinc/55/14/51/829551451.db2.gz IIRFQSWVVSIRPU-TZMCWYRMSA-N 1 0 318.381 -0.423 20 30 DBEDRO C[NH+](C)C1(C(=O)NC[C@H](CO)Nc2ccncc2C#N)CCC1 ZINC001122190198 829557828 /nfs/dbraw/zinc/55/78/28/829557828.db2.gz NNVJAXFULKNULH-CYBMUJFWSA-N 1 0 317.393 -0.252 20 30 DBEDRO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001276390125 833423897 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C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001133994737 830870898 /nfs/dbraw/zinc/87/08/98/830870898.db2.gz WJKPQEBTOZOVEM-QWRGUYRKSA-N 1 0 320.397 -0.641 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134045436 830884118 /nfs/dbraw/zinc/88/41/18/830884118.db2.gz GDSOZTHLVOWNNZ-JHJVBQTASA-N 1 0 319.409 -0.080 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cc(C)[nH]n1 ZINC001134056441 830884593 /nfs/dbraw/zinc/88/45/93/830884593.db2.gz PUCQPAFXSQTKQW-RYUDHWBXSA-N 1 0 319.409 -0.117 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001134062298 830885276 /nfs/dbraw/zinc/88/52/76/830885276.db2.gz WDDUYROTQNVYRT-MNOVXSKESA-N 1 0 312.370 -0.871 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001134062028 830885604 /nfs/dbraw/zinc/88/56/04/830885604.db2.gz OLFITZJOLKQDSE-MNOVXSKESA-N 1 0 308.338 -0.090 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)ncn1 ZINC001134095733 830887177 /nfs/dbraw/zinc/88/71/77/830887177.db2.gz XWGKUEIJQYONJN-ZYHUDNBSSA-N 1 0 318.381 -0.089 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cn(C)cn1)[NH2+]CC(=O)NCC#N ZINC001134098626 830887956 /nfs/dbraw/zinc/88/79/56/830887956.db2.gz DMGIYSDUKGJTJG-MNOVXSKESA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001134105198 830888878 /nfs/dbraw/zinc/88/88/78/830888878.db2.gz RAKUKGGUPGYZJI-VXGBXAGGSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001134130259 830895621 /nfs/dbraw/zinc/89/56/21/830895621.db2.gz FJFVKEVXALGWLS-OLZOCXBDSA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nccn1C ZINC001134131342 830896269 /nfs/dbraw/zinc/89/62/69/830896269.db2.gz VAQAKYDWFSLMEH-CHWSQXEVSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001134131114 830896742 /nfs/dbraw/zinc/89/67/42/830896742.db2.gz QSAPCVWYXQFNOU-GHMZBOCLSA-N 1 0 307.354 -0.418 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001134130914 830896805 /nfs/dbraw/zinc/89/68/05/830896805.db2.gz OFEICPRTBVLAHY-CHWSQXEVSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccnn1C ZINC001134131516 830897599 /nfs/dbraw/zinc/89/75/99/830897599.db2.gz XPHCQVIFNBMPCY-QWHCGFSZSA-N 1 0 319.409 -0.068 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)[NH2+]CC(=O)NC(N)=O ZINC001134138327 830898437 /nfs/dbraw/zinc/89/84/37/830898437.db2.gz GIWWUBRBROULSL-BDAKNGLRSA-N 1 0 320.353 -0.432 20 30 DBEDRO COc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)on1 ZINC001134135061 830899257 /nfs/dbraw/zinc/89/92/57/830899257.db2.gz RIXAZVVLYSUXMD-ZJUUUORDSA-N 1 0 323.353 -0.191 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cncnc1)[NH2+]CC(=O)NCC#N ZINC001134153271 830902207 /nfs/dbraw/zinc/90/22/07/830902207.db2.gz XDQXBFFEZUXFES-MNOVXSKESA-N 1 0 304.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001134163502 830902664 /nfs/dbraw/zinc/90/26/64/830902664.db2.gz BMJKYUBUWOPVSM-CHWSQXEVSA-N 1 0 307.394 -0.045 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(F)c(OC)c1 ZINC001134178787 830905877 /nfs/dbraw/zinc/90/58/77/830905877.db2.gz QPRRRTWMNAHSMG-UHFFFAOYSA-N 1 0 307.325 -0.097 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134198186 830908338 /nfs/dbraw/zinc/90/83/38/830908338.db2.gz UNXFRXJSYGFFAE-MNOVXSKESA-N 1 0 322.413 -0.209 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cncnc1 ZINC001134218275 830910391 /nfs/dbraw/zinc/91/03/91/830910391.db2.gz BJBGPWUGPKNVLM-CHWSQXEVSA-N 1 0 317.393 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cncnc1 ZINC001134218276 830910395 /nfs/dbraw/zinc/91/03/95/830910395.db2.gz BJBGPWUGPKNVLM-OLZOCXBDSA-N 1 0 317.393 -0.359 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240617 830913455 /nfs/dbraw/zinc/91/34/55/830913455.db2.gz TWICVRYAEBWWMN-NWDGAFQWSA-N 1 0 324.425 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240236 830913537 /nfs/dbraw/zinc/91/35/37/830913537.db2.gz OEHHUEWPBPWATR-NEPJUHHUSA-N 1 0 322.409 -0.913 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)nn1CC ZINC001134267122 830915714 /nfs/dbraw/zinc/91/57/14/830915714.db2.gz CMMOQFBKBZMOGN-LBPRGKRZSA-N 1 0 305.382 -0.331 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(CC)n1 ZINC001134266011 830915973 /nfs/dbraw/zinc/91/59/73/830915973.db2.gz RXEQPTGRAAGGTJ-RYUDHWBXSA-N 1 0 320.397 -0.466 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134269778 830916987 /nfs/dbraw/zinc/91/69/87/830916987.db2.gz JNZAOYJOYSOOQQ-GHMZBOCLSA-N 1 0 306.370 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134288406 830917738 /nfs/dbraw/zinc/91/77/38/830917738.db2.gz HUWVENLWFIVJBW-WDEREUQCSA-N 1 0 306.370 -0.949 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1ccnnc1 ZINC001134284433 830918216 /nfs/dbraw/zinc/91/82/16/830918216.db2.gz ZTRFSYVVLGUUKI-UHFFFAOYSA-N 1 0 304.354 -0.442 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1n[nH]cc1C ZINC001134303247 830920871 /nfs/dbraw/zinc/92/08/71/830920871.db2.gz QAKIPFHDXGYMID-NEPJUHHUSA-N 1 0 305.382 -0.046 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1(O)CCC1 ZINC001134307740 830922257 /nfs/dbraw/zinc/92/22/57/830922257.db2.gz OICOSRUVLJEKEG-STQMWFEESA-N 1 0 309.410 -0.086 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnnn1CC ZINC001134321272 830922974 /nfs/dbraw/zinc/92/29/74/830922974.db2.gz GNBZXPOFMWKTIJ-VXGBXAGGSA-N 1 0 320.397 -0.466 20 30 DBEDRO CCn1nncc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134322082 830923247 /nfs/dbraw/zinc/92/32/47/830923247.db2.gz OPGHKSBNKOUKLE-QWRGUYRKSA-N 1 0 321.385 -0.576 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nn(C)cc1C ZINC001134333374 830923878 /nfs/dbraw/zinc/92/38/78/830923878.db2.gz NNBRTMAUUTYUHZ-STQMWFEESA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnnc2ccccc21 ZINC001134348797 830924689 /nfs/dbraw/zinc/92/46/89/830924689.db2.gz ZVSNWUKHLMQEIO-UHFFFAOYSA-N 1 0 311.345 -0.301 20 30 DBEDRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001134352495 830925706 /nfs/dbraw/zinc/92/57/06/830925706.db2.gz KXNFTMKZSWHNOD-LLVKDONJSA-N 1 0 324.406 -0.298 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134353116 830926270 /nfs/dbraw/zinc/92/62/70/830926270.db2.gz VWVPNUYDYQMGKW-KGLIPLIRSA-N 1 0 300.399 -0.092 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134353115 830926536 /nfs/dbraw/zinc/92/65/36/830926536.db2.gz VWVPNUYDYQMGKW-KBPBESRZSA-N 1 0 300.399 -0.092 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356189 830927274 /nfs/dbraw/zinc/92/72/74/830927274.db2.gz NVECVYVRBXDQRX-GHMZBOCLSA-N 1 0 322.413 -0.169 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356191 830927451 /nfs/dbraw/zinc/92/74/51/830927451.db2.gz NVECVYVRBXDQRX-QWRGUYRKSA-N 1 0 322.413 -0.169 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134355338 830927715 /nfs/dbraw/zinc/92/77/15/830927715.db2.gz FICIQHJMHUGSLB-MNOVXSKESA-N 1 0 320.397 -0.722 20 30 DBEDRO COc1cccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1C ZINC001134387708 830932915 /nfs/dbraw/zinc/93/29/15/830932915.db2.gz RHXLZZVAUPDREP-UHFFFAOYSA-N 1 0 304.350 -0.037 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C)[nH]c1C ZINC001134423516 830936353 /nfs/dbraw/zinc/93/63/53/830936353.db2.gz JTDPWSLZGMHUAG-UHFFFAOYSA-N 1 0 321.381 -0.037 20 30 DBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461114 830939057 /nfs/dbraw/zinc/93/90/57/830939057.db2.gz PGCUEJNXIPJYGZ-ZETCQYMHSA-N 1 0 319.159 -0.801 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134508469 830942763 /nfs/dbraw/zinc/94/27/63/830942763.db2.gz CLHZXWJEFSURKM-RYUDHWBXSA-N 1 0 303.428 -0.226 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134517901 830944679 /nfs/dbraw/zinc/94/46/79/830944679.db2.gz WFTGYHGLGDGRMC-QWHCGFSZSA-N 1 0 305.382 -0.322 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541570 830948689 /nfs/dbraw/zinc/94/86/89/830948689.db2.gz TWBMGXIHVMBOGZ-OLZOCXBDSA-N 1 0 320.393 -0.557 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541571 830948939 /nfs/dbraw/zinc/94/89/39/830948939.db2.gz TWBMGXIHVMBOGZ-QWHCGFSZSA-N 1 0 320.393 -0.557 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557833 830951062 /nfs/dbraw/zinc/95/10/62/830951062.db2.gz RHWSTWUOKMPOHO-STQMWFEESA-N 1 0 315.439 -0.082 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557516 830951297 /nfs/dbraw/zinc/95/12/97/830951297.db2.gz PFYJQVONKYFZFT-QWHCGFSZSA-N 1 0 315.439 -0.082 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC001134581597 830952526 /nfs/dbraw/zinc/95/25/26/830952526.db2.gz GYRQWPYHUULDQF-ZDUSSCGKSA-N 1 0 320.324 -0.525 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(C(C)C)n1 ZINC001134596747 830953499 /nfs/dbraw/zinc/95/34/99/830953499.db2.gz RIKRLSFKIHJWPZ-LBPRGKRZSA-N 1 0 305.382 -0.079 20 30 DBEDRO C[C@@H]1CCC[C@H](OCC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001134619668 830957763 /nfs/dbraw/zinc/95/77/63/830957763.db2.gz YTOLVMCWLMKFDF-OLZOCXBDSA-N 1 0 310.398 -0.073 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)C(C)(C)C(N)=O)[NH2+]CC(=O)NCC#N ZINC001134657499 830962822 /nfs/dbraw/zinc/96/28/22/830962822.db2.gz KVEVSMNLSPHISL-ZJUUUORDSA-N 1 0 311.386 -0.989 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134657822 830963680 /nfs/dbraw/zinc/96/36/80/830963680.db2.gz NDAORISSLWLKHW-WDEREUQCSA-N 1 0 312.414 -0.327 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)OCCOC)C1=O ZINC001134663656 830964541 /nfs/dbraw/zinc/96/45/41/830964541.db2.gz QGEPVJZUELWXJO-OLZOCXBDSA-N 1 0 313.398 -0.469 20 30 DBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665504 830965880 /nfs/dbraw/zinc/96/58/80/830965880.db2.gz NTMXUOMZPLVJSN-LLVKDONJSA-N 1 0 308.382 -0.242 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134673001 830967552 /nfs/dbraw/zinc/96/75/52/830967552.db2.gz HRKHEJFCPGPIHT-RYUDHWBXSA-N 1 0 301.387 -0.566 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134674093 830968480 /nfs/dbraw/zinc/96/84/80/830968480.db2.gz VEGMVEWWICFRPL-LBPRGKRZSA-N 1 0 318.381 -0.049 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001134676447 830968713 /nfs/dbraw/zinc/96/87/13/830968713.db2.gz OTDBEQIHPKPXKK-MNOVXSKESA-N 1 0 319.365 -0.582 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)NCC ZINC001134696871 830969305 /nfs/dbraw/zinc/96/93/05/830969305.db2.gz PDPUKCICEUOBQR-UHFFFAOYSA-N 1 0 313.402 -0.908 20 30 DBEDRO C=CCCCCC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714298 830970296 /nfs/dbraw/zinc/97/02/96/830970296.db2.gz JFGVCFSPBKNELY-UHFFFAOYSA-N 1 0 324.381 -0.141 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769025 830975990 /nfs/dbraw/zinc/97/59/90/830975990.db2.gz IEXPMVNGNYXUOR-NEPJUHHUSA-N 1 0 312.414 -0.312 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787225 830977904 /nfs/dbraw/zinc/97/79/04/830977904.db2.gz JAXIPTJBNYPHAM-ZIAGYGMSSA-N 1 0 308.426 -0.343 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001134816476 830978675 /nfs/dbraw/zinc/97/86/75/830978675.db2.gz DLNUSLSIEVVZFS-UONOGXRCSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001134816477 830978717 /nfs/dbraw/zinc/97/87/17/830978717.db2.gz DLNUSLSIEVVZFS-ZIAGYGMSSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001134816655 830979153 /nfs/dbraw/zinc/97/91/53/830979153.db2.gz GNVGFYGZVKVVHE-ZIAGYGMSSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC(=C)C)NC(C)=O ZINC001134821283 830979191 /nfs/dbraw/zinc/97/91/91/830979191.db2.gz MXJMVTNWSHBWPL-OCCSQVGLSA-N 1 0 324.425 -0.146 20 30 DBEDRO Cc1nc(C(C)C)ncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134859923 830983348 /nfs/dbraw/zinc/98/33/48/830983348.db2.gz FFSYVLZOGPYQKK-UHFFFAOYSA-N 1 0 318.381 -0.132 20 30 DBEDRO Cc1nnccc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134869445 830984232 /nfs/dbraw/zinc/98/42/32/830984232.db2.gz XAYXVSSYCQRLMX-WDEREUQCSA-N 1 0 318.381 -0.089 20 30 DBEDRO Cc1nnccc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134869443 830984540 /nfs/dbraw/zinc/98/45/40/830984540.db2.gz XAYXVSSYCQRLMX-MNOVXSKESA-N 1 0 318.381 -0.089 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134871019 830985853 /nfs/dbraw/zinc/98/58/53/830985853.db2.gz DSHKYCXAJIZCEV-UHFFFAOYSA-N 1 0 310.398 -0.747 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134874240 830985866 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DBEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182407246 833673814 /nfs/dbraw/zinc/67/38/14/833673814.db2.gz VZGILIVCWDUCNM-VXGBXAGGSA-N 1 0 308.382 -0.320 20 30 DBEDRO Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001182432215 833675597 /nfs/dbraw/zinc/67/55/97/833675597.db2.gz SSBLJMHRKRKUBG-LLVKDONJSA-N 1 0 302.338 -0.771 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182442949 833675606 /nfs/dbraw/zinc/67/56/06/833675606.db2.gz UUJGICOEKCPKLP-LLVKDONJSA-N 1 0 306.370 -0.852 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001182440818 833675842 /nfs/dbraw/zinc/67/58/42/833675842.db2.gz FJCWBIRQNMLHLG-QWHCGFSZSA-N 1 0 317.393 -0.329 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001182432022 833675850 /nfs/dbraw/zinc/67/58/50/833675850.db2.gz OLLGHWJFOPSNIH-LSDHHAIUSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H](NCc2ncnn2CCF)C1 ZINC001182496837 833678879 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COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001268310012 835657410 /nfs/dbraw/zinc/65/74/10/835657410.db2.gz ZTAKWMOORBZKLW-LLVKDONJSA-N 1 0 317.349 -0.712 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001268311840 835658373 /nfs/dbraw/zinc/65/83/73/835658373.db2.gz PQLSNNWLIPOLQW-CYBMUJFWSA-N 1 0 317.349 -0.712 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001268315292 835658900 /nfs/dbraw/zinc/65/89/00/835658900.db2.gz CKQDRWPCAWXYLE-NSHDSACASA-N 1 0 319.365 -0.413 20 30 DBEDRO Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)c(C)s1 ZINC001268314332 835658940 /nfs/dbraw/zinc/65/89/40/835658940.db2.gz YTTGQNZGSZIKGU-NSHDSACASA-N 1 0 324.406 -0.315 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1[nH]c(C)cc1C ZINC001268315216 835659082 /nfs/dbraw/zinc/65/90/82/835659082.db2.gz NANWVNXTIMQGBL-LBPRGKRZSA-N 1 0 306.366 -0.939 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001268315603 835659640 /nfs/dbraw/zinc/65/96/40/835659640.db2.gz ORBILRREHYMKIH-CQSZACIVSA-N 1 0 322.409 -0.032 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1ccc(C)n1 ZINC001268317022 835659717 /nfs/dbraw/zinc/65/97/17/835659717.db2.gz OOJZAFIODNZXEA-GJZGRUSLSA-N 1 0 322.409 -0.141 20 30 DBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001268315416 835659792 /nfs/dbraw/zinc/65/97/92/835659792.db2.gz VYGMTOUESHGMIF-GFCCVEGCSA-N 1 0 304.354 -0.229 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001268315751 835659946 /nfs/dbraw/zinc/65/99/46/835659946.db2.gz XTMZUQJTTGCUPW-LLVKDONJSA-N 1 0 302.338 -0.933 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)cc1 ZINC001268316138 835660116 /nfs/dbraw/zinc/66/01/16/835660116.db2.gz IAJKWVCEABBKAL-KBPBESRZSA-N 1 0 301.346 -0.763 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C(F)(F)F ZINC001268319649 835661742 /nfs/dbraw/zinc/66/17/42/835661742.db2.gz KFGNOANCXAFOPJ-RKDXNWHRSA-N 1 0 309.288 -0.999 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C)cc1F ZINC001268320325 835661751 /nfs/dbraw/zinc/66/17/51/835661751.db2.gz HGHXABHNCWAGLZ-LBPRGKRZSA-N 1 0 321.352 -0.436 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cncc(N2CCCC2)n1 ZINC001268322037 835662564 /nfs/dbraw/zinc/66/25/64/835662564.db2.gz CNVICKQLZPZDSY-LBPRGKRZSA-N 1 0 305.382 -0.057 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001268323707 835663229 /nfs/dbraw/zinc/66/32/29/835663229.db2.gz OOYOKRMXXIRUTG-AWEZNQCLSA-N 1 0 313.361 -0.029 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001268323250 835663555 /nfs/dbraw/zinc/66/35/55/835663555.db2.gz MCIHHLVHPGWELP-CQSZACIVSA-N 1 0 313.361 -0.029 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C)[nH]c1C ZINC001268322776 835663570 /nfs/dbraw/zinc/66/35/70/835663570.db2.gz FEKKKJVRNJKUEM-QWHCGFSZSA-N 1 0 320.393 -0.550 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1Cc2ccccc21 ZINC001268324189 835664246 /nfs/dbraw/zinc/66/42/46/835664246.db2.gz SPFPFCLGSUMNIM-JSGCOSHPSA-N 1 0 316.361 -0.967 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+][C@H]2CCCNC2=O)c1 ZINC001268324262 835664349 /nfs/dbraw/zinc/66/43/49/835664349.db2.gz RHKDZYXUHTXAJH-KGLIPLIRSA-N 1 0 316.361 -0.978 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2oncc2C)C1=O ZINC001268327591 835666081 /nfs/dbraw/zinc/66/60/81/835666081.db2.gz JNHUMLOXGGPCQF-RYUDHWBXSA-N 1 0 322.365 -0.550 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001268326663 835666088 /nfs/dbraw/zinc/66/60/88/835666088.db2.gz MBPYNNDDWHCLRQ-VXGBXAGGSA-N 1 0 309.370 -0.819 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001268329108 835667405 /nfs/dbraw/zinc/66/74/05/835667405.db2.gz RXIURUNFBWTHCP-QMMMGPOBSA-N 1 0 319.287 -0.463 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001268329296 835667998 /nfs/dbraw/zinc/66/79/98/835667998.db2.gz UAUHAORDUUMVRJ-ZETCQYMHSA-N 1 0 305.260 -0.853 20 30 DBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001268329482 835668096 /nfs/dbraw/zinc/66/80/96/835668096.db2.gz UWTJTBLFEKIAAZ-LLVKDONJSA-N 1 0 305.338 -0.309 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cncn1C ZINC001268332798 835669356 /nfs/dbraw/zinc/66/93/56/835669356.db2.gz QGTSXICZOYQEII-CQSZACIVSA-N 1 0 308.382 -0.931 20 30 DBEDRO C#Cc1ccccc1CC(=O)NC[C@H](O)C[NH2+][C@H](CC)C(N)=O ZINC001268331825 835669470 /nfs/dbraw/zinc/66/94/70/835669470.db2.gz KRXLBBJSFJVOJH-HUUCEWRRSA-N 1 0 317.389 -0.459 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 ZINC001268334100 835671013 /nfs/dbraw/zinc/67/10/13/835671013.db2.gz BMOBAOJEYPEVCT-NSHDSACASA-N 1 0 303.318 -0.706 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001268336984 835671872 /nfs/dbraw/zinc/67/18/72/835671872.db2.gz XRXPTWWBLZJBFY-AWEZNQCLSA-N 1 0 319.361 -0.884 20 30 DBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1c[nH]c(C#N)c1 ZINC001268359683 835675729 /nfs/dbraw/zinc/67/57/29/835675729.db2.gz SCFNQGCATIZZMA-SNVBAGLBSA-N 1 0 302.338 -0.376 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001268374034 835679747 /nfs/dbraw/zinc/67/97/47/835679747.db2.gz FJUWIUOAKMFAEL-SECBINFHSA-N 1 0 309.370 -0.176 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001268374913 835680099 /nfs/dbraw/zinc/68/00/99/835680099.db2.gz YBYVHPNYVIHNKX-LLVKDONJSA-N 1 0 321.381 -0.324 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001268377499 835681326 /nfs/dbraw/zinc/68/13/26/835681326.db2.gz CERMVDAWBCKWCD-STQMWFEESA-N 1 0 324.425 -0.359 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nnnn1C ZINC001268404514 835685794 /nfs/dbraw/zinc/68/57/94/835685794.db2.gz NRMIPFFIOUGYDK-TUAOUCFPSA-N 1 0 308.386 -0.214 20 30 DBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001268420045 835688326 /nfs/dbraw/zinc/68/83/26/835688326.db2.gz CGOHEOHXADQSKF-ZDUSSCGKSA-N 1 0 315.439 -0.776 20 30 DBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cnn2cc[nH]c12 ZINC001268418998 835688388 /nfs/dbraw/zinc/68/83/88/835688388.db2.gz ILLMJRQVZQGGKT-JTQLQIEISA-N 1 0 317.353 -0.600 20 30 DBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268415298 835688649 /nfs/dbraw/zinc/68/86/49/835688649.db2.gz OPSTYNOTASWMAF-GFCCVEGCSA-N 1 0 324.381 -0.985 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O ZINC001268427756 835690361 /nfs/dbraw/zinc/69/03/61/835690361.db2.gz HORBHERXVXTOFO-GXTWGEPZSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001268438951 835692253 /nfs/dbraw/zinc/69/22/53/835692253.db2.gz LKWSLVAUKXTBER-QWHCGFSZSA-N 1 0 322.409 -0.510 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)c1cnn(C)c1N ZINC001268445112 835694713 /nfs/dbraw/zinc/69/47/13/835694713.db2.gz LEKQVNPEJAFEHF-LLVKDONJSA-N 1 0 322.413 -0.255 20 30 DBEDRO CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C#CC1CC1 ZINC001268449588 835697098 /nfs/dbraw/zinc/69/70/98/835697098.db2.gz JQLPCLIEPLESFG-UHFFFAOYSA-N 1 0 301.412 -0.613 20 30 DBEDRO C#CCNC(=O)CN1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001268456047 835698047 /nfs/dbraw/zinc/69/80/47/835698047.db2.gz SXDAQDGRRRRNCK-HUUCEWRRSA-N 1 0 318.421 -0.447 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)c1c(C)ncn1C ZINC001268457706 835698944 /nfs/dbraw/zinc/69/89/44/835698944.db2.gz NJEGVGQUFBBECR-CYBMUJFWSA-N 1 0 319.409 -0.082 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cc1cncs1 ZINC001268457778 835699049 /nfs/dbraw/zinc/69/90/49/835699049.db2.gz QUCNJMPDDHBWQQ-UHFFFAOYSA-N 1 0 308.407 -0.127 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)c1n[nH]nc1C ZINC001268469380 835701477 /nfs/dbraw/zinc/70/14/77/835701477.db2.gz LZPHEBNVFVPEEB-NSHDSACASA-N 1 0 308.386 -0.144 20 30 DBEDRO CCN(CC[NH2+]Cc1ccc(OC)c(C#N)c1)C(=O)C(N)=O ZINC001268475751 835704011 /nfs/dbraw/zinc/70/40/11/835704011.db2.gz KEOHKHQGAGAOCG-UHFFFAOYSA-N 1 0 304.350 -0.010 20 30 DBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268502941 835711179 /nfs/dbraw/zinc/71/11/79/835711179.db2.gz NEUNELBWGUOTBC-GFCCVEGCSA-N 1 0 309.366 -0.873 20 30 DBEDRO N#Cc1cc(C(=O)NC/C=C\C[NH2+][C@H]2CCC(=O)NC2=O)c[nH]1 ZINC001268529645 835718789 /nfs/dbraw/zinc/71/87/89/835718789.db2.gz DBFBLVCUBAHDCX-BIOMNHJASA-N 1 0 315.333 -0.433 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1nccn1CC ZINC001268534759 835720877 /nfs/dbraw/zinc/72/08/77/835720877.db2.gz WTXHICZAEUQRDE-WAYWQWQTSA-N 1 0 303.366 -0.472 20 30 DBEDRO CC(C)C#CC(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O ZINC001268536252 835721443 /nfs/dbraw/zinc/72/14/43/835721443.db2.gz IQNNGZJZIKLXNB-SNAWJCMRSA-N 1 0 301.412 -0.543 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)c1nn(C)cc1C ZINC001268540016 835722660 /nfs/dbraw/zinc/72/26/60/835722660.db2.gz BFFVVZSFNSNDNM-FMFIFOJESA-N 1 0 317.393 -0.258 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1ccncc1C ZINC001268538214 835722762 /nfs/dbraw/zinc/72/27/62/835722762.db2.gz 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C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC001486106844 1013679052 /nfs/dbraw/zinc/67/90/52/1013679052.db2.gz WJWSYQYFFSAKKN-AAEUAGOBSA-N 1 0 305.382 -0.167 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC001486108217 1013680121 /nfs/dbraw/zinc/68/01/21/1013680121.db2.gz MSTFNAVEKOZMBG-MNOVXSKESA-N 1 0 306.370 -0.690 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2coc(C)n2)C1 ZINC001486109262 1013681305 /nfs/dbraw/zinc/68/13/05/1013681305.db2.gz QDYNKGXMYMSYOZ-CMPLNLGQSA-N 1 0 304.350 -0.075 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001486114339 1013683632 /nfs/dbraw/zinc/68/36/32/1013683632.db2.gz NAAMTYXEZVQNHI-JQWIXIFHSA-N 1 0 319.365 -0.323 20 30 DBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCS(N)(=O)=O)C1 ZINC001486120474 1013685529 /nfs/dbraw/zinc/68/55/29/1013685529.db2.gz BHSPXZDTKCUZHG-NEPJUHHUSA-N 1 0 301.412 -0.343 20 30 DBEDRO CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)[C@H]2C1 ZINC001486155364 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316.365 -0.396 20 30 DBEDRO CC1(C)CN(C(=O)c2cc[nH]n2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001486223785 1013719901 /nfs/dbraw/zinc/71/99/01/1013719901.db2.gz CSMWBTWKNHJWNH-LLVKDONJSA-N 1 0 304.354 -0.510 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC)C(C)(C)C2)nn1 ZINC001486243559 1013726481 /nfs/dbraw/zinc/72/64/81/1013726481.db2.gz FIGOFYMKMBUUHT-LBPRGKRZSA-N 1 0 320.397 -0.350 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc[nH]2)CC1(C)C ZINC001486247626 1013729178 /nfs/dbraw/zinc/72/91/78/1013729178.db2.gz JAENKBGLFVBHFT-GFCCVEGCSA-N 1 0 305.382 -0.176 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC1(C)C ZINC001486251001 1013729241 /nfs/dbraw/zinc/72/92/41/1013729241.db2.gz VCQLYVCDIUALAK-GFCCVEGCSA-N 1 0 315.439 -0.272 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC001486250402 1013730194 /nfs/dbraw/zinc/73/01/94/1013730194.db2.gz VMDQFFPYTMTIGK-CYBMUJFWSA-N 1 0 305.382 -0.246 20 30 DBEDRO CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001486245415 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PTLJYGQOYFFUJB-ZDUSSCGKSA-N 1 0 317.393 -0.091 20 30 DBEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(N)=O)C1 ZINC001480262533 1010597688 /nfs/dbraw/zinc/59/76/88/1010597688.db2.gz UJDMLDYIFGHULV-LBPRGKRZSA-N 1 0 323.397 -0.938 20 30 DBEDRO C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001480277336 1010601934 /nfs/dbraw/zinc/60/19/34/1010601934.db2.gz TZTGQNFQWSBIIA-CHWSQXEVSA-N 1 0 307.398 -0.001 20 30 DBEDRO C=CCn1cc(C(=O)N2CCC[C@H](C[NH2+][C@@H](C)C(N)=O)C2)nn1 ZINC001480297045 1010604867 /nfs/dbraw/zinc/60/48/67/1010604867.db2.gz CLDKEPPLJMCNDA-NWDGAFQWSA-N 1 0 320.397 -0.220 20 30 DBEDRO C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001480315379 1010608546 /nfs/dbraw/zinc/60/85/46/1010608546.db2.gz HBERZZHOWUFDJS-CYBMUJFWSA-N 1 0 308.386 -0.154 20 30 DBEDRO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001480330213 1010611039 /nfs/dbraw/zinc/61/10/39/1010611039.db2.gz LGDSVNXABRNFEV-AWEZNQCLSA-N 1 0 319.409 -0.116 20 30 DBEDRO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001497170314 1017299433 /nfs/dbraw/zinc/29/94/33/1017299433.db2.gz KYXZJIOKHFHNMK-ONGXEEELSA-N 1 0 317.349 -0.210 20 30 DBEDRO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001497170313 1017299590 /nfs/dbraw/zinc/29/95/90/1017299590.db2.gz KYXZJIOKHFHNMK-MWLCHTKSSA-N 1 0 317.349 -0.210 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1cccnc1 ZINC001497170400 1017300343 /nfs/dbraw/zinc/30/03/43/1017300343.db2.gz MCXCLDFSQXPRCO-ZDUSSCGKSA-N 1 0 302.378 -0.142 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C ZINC001480365404 1010619338 /nfs/dbraw/zinc/61/93/38/1010619338.db2.gz FJNNBCDBCQUJHJ-CYBMUJFWSA-N 1 0 315.439 -0.128 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CS(=O)(=O)N(C)C ZINC001480365405 1010619851 /nfs/dbraw/zinc/61/98/51/1010619851.db2.gz FJNNBCDBCQUJHJ-ZDUSSCGKSA-N 1 0 315.439 -0.128 20 30 DBEDRO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001480383850 1010622263 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319.365 -0.199 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@H](C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001480435953 1010637775 /nfs/dbraw/zinc/63/77/75/1010637775.db2.gz MIDNISMXQWWJRV-QWRGUYRKSA-N 1 0 304.416 -0.478 20 30 DBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]CCN1C(=O)CNC1=O ZINC001480445239 1010642205 /nfs/dbraw/zinc/64/22/05/1010642205.db2.gz AXSAWDSBVDRRIE-VIFPVBQESA-N 1 0 318.337 -0.854 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001480445315 1010642306 /nfs/dbraw/zinc/64/23/06/1010642306.db2.gz BMZSHBVAACXIAU-QMMMGPOBSA-N 1 0 306.326 -0.950 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497186415 1017304397 /nfs/dbraw/zinc/30/43/97/1017304397.db2.gz OFAPRLLYBJBVFS-VXGBXAGGSA-N 1 0 309.366 -0.684 20 30 DBEDRO CCS(=O)(=O)NCC[NH2+]CC[C@@H](C)NC(=O)C#CC1CC1 ZINC001497186910 1017304667 /nfs/dbraw/zinc/30/46/67/1017304667.db2.gz YNSXTVSKVDTXKZ-GFCCVEGCSA-N 1 0 315.439 -0.177 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)c2cn(C)nn2)C1=O 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N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccccc1O ZINC001497533454 1017408992 /nfs/dbraw/zinc/40/89/92/1017408992.db2.gz DVRZSHPURTUTOT-ONEGZZNKSA-N 1 0 302.334 -0.092 20 30 DBEDRO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001497549634 1017417829 /nfs/dbraw/zinc/41/78/29/1017417829.db2.gz SQBADMKWJHCSRN-LLGAQUFESA-N 1 0 308.382 -0.297 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cc[nH]c(=O)c1 ZINC001497560559 1017420924 /nfs/dbraw/zinc/42/09/24/1017420924.db2.gz WCWLAFFZWPZPRG-ARJAWSKDSA-N 1 0 304.350 -0.035 20 30 DBEDRO N#Cc1cc(C(=O)NC/C=C\C[NH2+]CCN2CCNC2=O)c[nH]1 ZINC001497562661 1017421886 /nfs/dbraw/zinc/42/18/86/1017421886.db2.gz MKZBHSPGVCAXFX-UPHRSURJSA-N 1 0 316.365 -0.213 20 30 DBEDRO COc1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)on1 ZINC001497564415 1017422686 /nfs/dbraw/zinc/42/26/86/1017422686.db2.gz XMHWNFNUKMGPHZ-NSCUHMNNSA-N 1 0 307.310 -0.801 20 30 DBEDRO CC(C)C#CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1 ZINC001497578205 1017428946 /nfs/dbraw/zinc/42/89/46/1017428946.db2.gz HYTWMYMYGKWELI-ONEGZZNKSA-N 1 0 307.394 -0.233 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602370 1017440369 /nfs/dbraw/zinc/44/03/69/1017440369.db2.gz XIAKTINHHOXTJJ-KXLSMFKISA-N 1 0 320.437 -0.177 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602368 1017441480 /nfs/dbraw/zinc/44/14/80/1017441480.db2.gz XIAKTINHHOXTJJ-BEWKBBBFSA-N 1 0 320.437 -0.177 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cc(C)nn1CC ZINC001497685360 1017466671 /nfs/dbraw/zinc/46/66/71/1017466671.db2.gz JVJUQCOLNMIWBL-VOTSOKGWSA-N 1 0 317.393 -0.164 20 30 DBEDRO C#Cc1ccc(C(=O)NC/C=C/C[NH2+]C[C@H](O)COC)cn1 ZINC001497725189 1017480425 /nfs/dbraw/zinc/48/04/25/1017480425.db2.gz JPXXFNGDRAQSDE-RGDDUWESSA-N 1 0 303.362 -0.054 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC(=O)N1C ZINC001497738396 1017483151 /nfs/dbraw/zinc/48/31/51/1017483151.db2.gz KIOOZSWFOCOZLD-DSYXLKISSA-N 1 0 322.409 -0.439 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001497738400 1017483253 /nfs/dbraw/zinc/48/32/53/1017483253.db2.gz KIOOZSWFOCOZLD-ZFDPJTLLSA-N 1 0 322.409 -0.439 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnc(C)cn1 ZINC001497782702 1017494435 /nfs/dbraw/zinc/49/44/35/1017494435.db2.gz FVSRVTCFAUUUAE-NEPJUHHUSA-N 1 0 303.366 -0.369 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001497786683 1017496218 /nfs/dbraw/zinc/49/62/18/1017496218.db2.gz OPVLYDNIGDUZGI-NEPJUHHUSA-N 1 0 306.366 -0.281 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CCn1ccccc1=O ZINC001497825573 1017513459 /nfs/dbraw/zinc/51/34/59/1017513459.db2.gz QJYLEFRPYIGYDS-CQSZACIVSA-N 1 0 305.378 -0.018 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001497829780 1017515028 /nfs/dbraw/zinc/51/50/28/1017515028.db2.gz JHHXHLDEAPNJAQ-RDBSUJKOSA-N 1 0 306.410 -0.543 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001497834522 1017517804 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C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001497994731 1017571821 /nfs/dbraw/zinc/57/18/21/1017571821.db2.gz MTKMHVYEMJNBDQ-WBMJQRKESA-N 1 0 324.425 -0.619 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)COC ZINC001498002560 1017575268 /nfs/dbraw/zinc/57/52/68/1017575268.db2.gz NXDWKPDHKKHOBW-VHSXEESVSA-N 1 0 300.359 -0.873 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001498038524 1017586204 /nfs/dbraw/zinc/58/62/04/1017586204.db2.gz AEWHFBVWMNSXNS-VHSXEESVSA-N 1 0 307.354 -0.847 20 30 DBEDRO CC(C)Cn1nccc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001498046238 1017589132 /nfs/dbraw/zinc/58/91/32/1017589132.db2.gz HSOWWBONULBEJM-LBPRGKRZSA-N 1 0 320.397 -0.113 20 30 DBEDRO COc1cc(C)cnc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001498056249 1017597709 /nfs/dbraw/zinc/59/77/09/1017597709.db2.gz WJIDEONURUZTFK-NSHDSACASA-N 1 0 319.365 -0.254 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1n[nH]c2c1CCC2 ZINC001498064691 1017603098 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C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001498198643 1017674706 /nfs/dbraw/zinc/67/47/06/1017674706.db2.gz WKKXPMYYOXHAQX-NWDGAFQWSA-N 1 0 304.412 -0.140 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1nn(CC)nc1C ZINC001498208578 1017680373 /nfs/dbraw/zinc/68/03/73/1017680373.db2.gz HVNIHFMPYAWBHM-JTQLQIEISA-N 1 0 306.370 -0.936 20 30 DBEDRO C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001498260503 1017700266 /nfs/dbraw/zinc/70/02/66/1017700266.db2.gz ZEUAASPUOUTJOC-NEPJUHHUSA-N 1 0 310.398 -0.749 20 30 DBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001498280788 1017712597 /nfs/dbraw/zinc/71/25/97/1017712597.db2.gz MEYXONAPYNDMKQ-LBPRGKRZSA-N 1 0 318.443 -0.816 20 30 DBEDRO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CC(=O)NCC#N ZINC001498280833 1017713956 /nfs/dbraw/zinc/71/39/56/1017713956.db2.gz MKGKKZUUUREVRP-ZIAGYGMSSA-N 1 0 323.441 -0.065 20 30 DBEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1(n2cnnn2)CCOCC1 ZINC001498400231 1017778014 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NTRMKHGJFNMJHV-GFCCVEGCSA-N 1 0 323.401 -0.760 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1ncnn1 ZINC001170797266 833360735 /nfs/dbraw/zinc/36/07/35/833360735.db2.gz XYXNHNHPWOOATE-LBPRGKRZSA-N 1 0 323.401 -0.760 20 30 DBEDRO CCn1cc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001170810774 833360932 /nfs/dbraw/zinc/36/09/32/833360932.db2.gz LJDAHZQWBHAGLY-UHFFFAOYSA-N 1 0 306.370 -0.819 20 30 DBEDRO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001118539678 829101899 /nfs/dbraw/zinc/10/18/99/829101899.db2.gz XFEOIPPKOMEISF-CQSZACIVSA-N 1 0 309.410 -0.105 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cnn(CC)c1 ZINC001170820704 833361245 /nfs/dbraw/zinc/36/12/45/833361245.db2.gz UNGXYLHPMLIKSJ-CYBMUJFWSA-N 1 0 319.409 -0.321 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 ZINC001170867772 833361657 /nfs/dbraw/zinc/36/16/57/833361657.db2.gz MOMFKYQFCDEUEY-INIZCTEOSA-N 1 0 324.425 -0.311 20 30 DBEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@]12C[C@H]1COC2 ZINC001170888046 833362107 /nfs/dbraw/zinc/36/21/07/833362107.db2.gz NWYFLNCEILLSAM-XEZPLFJOSA-N 1 0 322.409 -0.073 20 30 DBEDRO CCC[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)S(N)(=O)=O ZINC001118646221 829114904 /nfs/dbraw/zinc/11/49/04/829114904.db2.gz OLTXUVAGRDREMS-SNVBAGLBSA-N 1 0 302.400 -0.452 20 30 DBEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1C#N ZINC001118752660 829129445 /nfs/dbraw/zinc/12/94/45/829129445.db2.gz RXESHFWDKLEKBH-RKDXNWHRSA-N 1 0 304.354 -0.117 20 30 DBEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)nn1 ZINC001118767883 829132159 /nfs/dbraw/zinc/13/21/59/829132159.db2.gz ZRBBSPTVBUNDRT-ABAIWWIYSA-N 1 0 318.381 -0.580 20 30 DBEDRO C#CCNC(=O)CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001118901945 829150630 /nfs/dbraw/zinc/15/06/30/829150630.db2.gz DNIIRAYCKVKSTB-UHFFFAOYSA-N 1 0 304.354 -0.847 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cncn1C ZINC001171245126 833368164 /nfs/dbraw/zinc/36/81/64/833368164.db2.gz WVVMEUBISLXGDJ-GFCCVEGCSA-N 1 0 307.398 -0.251 20 30 DBEDRO C=CC[C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC001118924952 829154873 /nfs/dbraw/zinc/15/48/73/829154873.db2.gz OAEUVGMXLJSACV-AWEZNQCLSA-N 1 0 308.426 -0.178 20 30 DBEDRO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171300103 833368825 /nfs/dbraw/zinc/36/88/25/833368825.db2.gz OKTCZUIHBLHJRN-NEPJUHHUSA-N 1 0 308.382 -0.128 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)Oc1ccccn1 ZINC001171383490 833369459 /nfs/dbraw/zinc/36/94/59/833369459.db2.gz JFFIPUFJKCTDSL-CYBMUJFWSA-N 1 0 318.377 -0.306 20 30 DBEDRO CNC(=O)c1ccc(C(=O)NCCC[NH2+]CC#CCOC)cn1 ZINC001171444756 833369899 /nfs/dbraw/zinc/36/98/99/833369899.db2.gz XTIIRHYIPGITCR-UHFFFAOYSA-N 1 0 318.377 -0.200 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(N(C)C)nn1 ZINC001171430658 833369984 /nfs/dbraw/zinc/36/99/84/833369984.db2.gz ODEJBGGNNZQMMK-UHFFFAOYSA-N 1 0 318.381 -0.999 20 30 DBEDRO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001171562582 833371391 /nfs/dbraw/zinc/37/13/91/833371391.db2.gz JSZUHUYAEIEIGX-CYBMUJFWSA-N 1 0 324.425 -0.473 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccc(C#C)nc1 ZINC001171595211 833371715 /nfs/dbraw/zinc/37/17/15/833371715.db2.gz YKUWTAXZZSCVPH-ZDUSSCGKSA-N 1 0 312.373 -0.090 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001171643638 833372733 /nfs/dbraw/zinc/37/27/33/833372733.db2.gz PLGLMUNNLUHIAT-JSGCOSHPSA-N 1 0 322.409 -0.769 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001171657016 833373115 /nfs/dbraw/zinc/37/31/15/833373115.db2.gz DWRADYVILGNFCB-LLVKDONJSA-N 1 0 308.386 -0.015 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001171703791 833373462 /nfs/dbraw/zinc/37/34/62/833373462.db2.gz UJLLYGHQOSBUDB-GFCCVEGCSA-N 1 0 306.366 -0.153 20 30 DBEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)c1cncn1C ZINC001171691166 833373489 /nfs/dbraw/zinc/37/34/89/833373489.db2.gz KMQOJYLTIYZEGP-GFCCVEGCSA-N 1 0 320.397 -0.062 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171757987 833374291 /nfs/dbraw/zinc/37/42/91/833374291.db2.gz RUQZJQCUGZKXDI-GFCCVEGCSA-N 1 0 322.409 -0.864 20 30 DBEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CO)C(N)=O)C[C@H]1C#N ZINC001172973035 833377014 /nfs/dbraw/zinc/37/70/14/833377014.db2.gz DKNHKZPCSDJHND-VWYCJHECSA-N 1 0 312.370 -0.286 20 30 DBEDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001119058419 829210927 /nfs/dbraw/zinc/21/09/27/829210927.db2.gz PXRKNCUDDXLTHV-CQSZACIVSA-N 1 0 321.425 -0.357 20 30 DBEDRO N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H](CO)C(N)=O)CC2)cc1 ZINC001173425543 833377387 /nfs/dbraw/zinc/37/73/87/833377387.db2.gz XGHHSXUIFFSJEY-AWEZNQCLSA-N 1 0 316.361 -0.401 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001174942941 833384404 /nfs/dbraw/zinc/38/44/04/833384404.db2.gz JDBCMVXIKVQCBY-CHWSQXEVSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001174661048 833380532 /nfs/dbraw/zinc/38/05/32/833380532.db2.gz TZGLWQVYQUKXHO-STQMWFEESA-N 1 0 322.409 -0.864 20 30 DBEDRO C#CCC[NH2+]CCCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001174667685 833380998 /nfs/dbraw/zinc/38/09/98/833380998.db2.gz YQTGVXUJTNESAM-CYBMUJFWSA-N 1 0 301.412 -0.423 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCNC2=O)CC1 ZINC001119322390 829248477 /nfs/dbraw/zinc/24/84/77/829248477.db2.gz LNISLWKUUFHUGO-LLVKDONJSA-N 1 0 308.382 -0.011 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174942944 833384722 /nfs/dbraw/zinc/38/47/22/833384722.db2.gz JDBCMVXIKVQCBY-STQMWFEESA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001174942954 833384845 /nfs/dbraw/zinc/38/48/45/833384845.db2.gz JHOVXNDSGHZRNC-LBPRGKRZSA-N 1 0 310.398 -0.605 20 30 DBEDRO C#CCOCCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119415668 829259317 /nfs/dbraw/zinc/25/93/17/829259317.db2.gz XOTYIJKVIZKUMI-MRXNPFEDSA-N 1 0 307.394 -0.255 20 30 DBEDRO C#CCOCCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001119414651 829259336 /nfs/dbraw/zinc/25/93/36/829259336.db2.gz JYLSTCKPLSITRL-UHFFFAOYSA-N 1 0 322.390 -0.748 20 30 DBEDRO C#CCOCCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119415667 829259438 /nfs/dbraw/zinc/25/94/38/829259438.db2.gz XOTYIJKVIZKUMI-INIZCTEOSA-N 1 0 307.394 -0.255 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1c(C)nn(C)c1F ZINC001174859892 833383757 /nfs/dbraw/zinc/38/37/57/833383757.db2.gz VNZFRHKPQJZXOC-UHFFFAOYSA-N 1 0 311.361 -0.121 20 30 DBEDRO Cc1nn(C)c(F)c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001174866445 833383770 /nfs/dbraw/zinc/38/37/70/833383770.db2.gz IFMNMPBFYKIGJV-UHFFFAOYSA-N 1 0 310.333 -0.783 20 30 DBEDRO COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001174972899 833385089 /nfs/dbraw/zinc/38/50/89/833385089.db2.gz XQXLCHMNMKAQAC-CHWSQXEVSA-N 1 0 310.398 -0.418 20 30 DBEDRO COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001174972907 833385207 /nfs/dbraw/zinc/38/52/07/833385207.db2.gz XQXLCHMNMKAQAC-STQMWFEESA-N 1 0 310.398 -0.418 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001174997003 833385619 /nfs/dbraw/zinc/38/56/19/833385619.db2.gz LNERXCXFEGTXNS-GFCCVEGCSA-N 1 0 322.409 -0.734 20 30 DBEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001119692947 829291771 /nfs/dbraw/zinc/29/17/71/829291771.db2.gz RSYGTIONMNMJBV-STQMWFEESA-N 1 0 307.398 -0.889 20 30 DBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H]1C[NH3+] ZINC001119702877 829294275 /nfs/dbraw/zinc/29/42/75/829294275.db2.gz CZAORNIMRSGNGT-YRGRVCCFSA-N 1 0 319.409 -0.762 20 30 DBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001119702876 829294322 /nfs/dbraw/zinc/29/43/22/829294322.db2.gz CZAORNIMRSGNGT-BZPMIXESSA-N 1 0 319.409 -0.762 20 30 DBEDRO C#CCN(C(=O)C(=O)NCC[S@](C)=O)C1CC[NH+](C)CC1 ZINC001119765834 829301426 /nfs/dbraw/zinc/30/14/26/829301426.db2.gz ZXDNYLPDBHXXFL-NRFANRHFSA-N 1 0 313.423 -0.963 20 30 DBEDRO N#Cc1csc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001119799343 829305324 /nfs/dbraw/zinc/30/53/24/829305324.db2.gz VIDSJZRJHQGAHY-VIFPVBQESA-N 1 0 319.390 -0.016 20 30 DBEDRO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001175502337 833391146 /nfs/dbraw/zinc/39/11/46/833391146.db2.gz HSPMLIWYQWSMIQ-RYUDHWBXSA-N 1 0 308.382 -0.128 20 30 DBEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001175581798 833392889 /nfs/dbraw/zinc/39/28/89/833392889.db2.gz TVDKGIQRYPEJEU-OCCSQVGLSA-N 1 0 324.425 -0.346 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001175581940 833393015 /nfs/dbraw/zinc/39/30/15/833393015.db2.gz WBYAKTCGDBNMHK-YPMHNXCESA-N 1 0 310.398 -0.736 20 30 DBEDRO C#CC[NH2+]C1(CNC(=O)CN2C(=O)CN(C)C2=O)CCCCC1 ZINC001120109538 829335331 /nfs/dbraw/zinc/33/53/31/829335331.db2.gz CDQKWMSMCAOIQU-UHFFFAOYSA-N 1 0 320.393 -0.078 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001175696904 833394908 /nfs/dbraw/zinc/39/49/08/833394908.db2.gz YYAXROZDHJDHQN-GFCCVEGCSA-N 1 0 322.413 -0.005 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001175720048 833395491 /nfs/dbraw/zinc/39/54/91/833395491.db2.gz SXACYZZHKKZJDE-CYBMUJFWSA-N 1 0 320.393 -0.176 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001175787311 833396317 /nfs/dbraw/zinc/39/63/17/833396317.db2.gz UGVGKPDPKFEQAE-LLVKDONJSA-N 1 0 308.386 -0.015 20 30 DBEDRO CC[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)CC1 ZINC001120431202 829369998 /nfs/dbraw/zinc/36/99/98/829369998.db2.gz NBCIWWBEVRTJEJ-HNNXBMFYSA-N 1 0 308.382 -0.318 20 30 DBEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)C[C@]2(C)C1 ZINC001120439249 829373632 /nfs/dbraw/zinc/37/36/32/829373632.db2.gz OIHMIMFDORATNV-XUJVJEKNSA-N 1 0 306.366 -0.853 20 30 DBEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001120447728 829376343 /nfs/dbraw/zinc/37/63/43/829376343.db2.gz RLLVHCHBJKSUAM-HNNXBMFYSA-N 1 0 310.398 -0.072 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCCNC(=O)c2ccn(C)n2)C1=O ZINC001176080786 833399892 /nfs/dbraw/zinc/39/98/92/833399892.db2.gz KYYIUNYOSYIHCA-CYBMUJFWSA-N 1 0 305.382 -0.084 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001176097155 833400676 /nfs/dbraw/zinc/40/06/76/833400676.db2.gz VSCGAIMQJNROGU-GFCCVEGCSA-N 1 0 320.397 -0.639 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ccnc1C ZINC001176147108 833401169 /nfs/dbraw/zinc/40/11/69/833401169.db2.gz JAXPZRPZCBZEAB-GFCCVEGCSA-N 1 0 305.382 -0.575 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)COCC)C2)C1 ZINC001120563704 829396060 /nfs/dbraw/zinc/39/60/60/829396060.db2.gz RTNXIHCCQVUXEQ-UHFFFAOYSA-N 1 0 307.394 -0.211 20 30 DBEDRO CO[C@H](C)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120732155 829403563 /nfs/dbraw/zinc/40/35/63/829403563.db2.gz FMRBKQDUDUWBQT-VQZBUAOQSA-N 1 0 308.382 -0.322 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC(N)=O)C2)C1 ZINC001120874717 829408307 /nfs/dbraw/zinc/40/83/07/829408307.db2.gz OYUPPOHCYISTOX-CUMPHSRVSA-N 1 0 320.393 -0.983 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121096936 829429760 /nfs/dbraw/zinc/42/97/60/829429760.db2.gz HFUHQDYPQCBXGI-SYGUMVHVSA-N 1 0 307.394 -0.085 20 30 DBEDRO C#CCOCCC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001121102240 829432011 /nfs/dbraw/zinc/43/20/11/829432011.db2.gz AUTHSEZDPLEWLS-XJIRZWNVSA-N 1 0 319.405 -0.068 20 30 DBEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)Cn1cncn1 ZINC001176476761 833407331 /nfs/dbraw/zinc/40/73/31/833407331.db2.gz SHHMPTNOICBLLV-LBPRGKRZSA-N 1 0 321.385 -0.818 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001176487896 833407865 /nfs/dbraw/zinc/40/78/65/833407865.db2.gz XKHZSLGOBBWBKZ-NEPJUHHUSA-N 1 0 308.382 -0.128 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001176547902 833408786 /nfs/dbraw/zinc/40/87/86/833408786.db2.gz RARAXASMMMTSCG-LLVKDONJSA-N 1 0 306.366 -0.003 20 30 DBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001176547903 833409190 /nfs/dbraw/zinc/40/91/90/833409190.db2.gz RARAXASMMMTSCG-NSHDSACASA-N 1 0 306.366 -0.003 20 30 DBEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 ZINC001121240151 829451209 /nfs/dbraw/zinc/45/12/09/829451209.db2.gz GBSLAKOXKHPJFF-OLZOCXBDSA-N 1 0 303.366 -0.064 20 30 DBEDRO Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)c(C#N)cn1 ZINC001121243411 829452860 /nfs/dbraw/zinc/45/28/60/829452860.db2.gz VPESPBGKUPWPAG-DZGCQCFKSA-N 1 0 317.393 -0.333 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCOC[C@@H]1C ZINC001276215743 833411983 /nfs/dbraw/zinc/41/19/83/833411983.db2.gz ZKJODJMSMFFIPI-KBPBESRZSA-N 1 0 309.410 -0.154 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC001276215750 833411989 /nfs/dbraw/zinc/41/19/89/833411989.db2.gz ZKJODJMSMFFIPI-UONOGXRCSA-N 1 0 309.410 -0.154 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001276190663 833410572 /nfs/dbraw/zinc/41/05/72/833410572.db2.gz UCVYQBDHQJUCFK-QWHCGFSZSA-N 1 0 324.425 -0.264 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1noc2c1COCC2 ZINC001176606444 833410682 /nfs/dbraw/zinc/41/06/82/833410682.db2.gz XHJYZCKRIFGMKL-UHFFFAOYSA-N 1 0 320.349 -0.794 20 30 DBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)Cn3ncn(C)c3=O)C2)C1 ZINC001121333346 829464707 /nfs/dbraw/zinc/46/47/07/829464707.db2.gz IWJUPJFHYQMNRG-UHFFFAOYSA-N 1 0 317.393 -0.378 20 30 DBEDRO C=CC[NH2+]C1CC2(CC(NC(=O)CNS(=O)(=O)NC)C2)C1 ZINC001121474851 829486877 /nfs/dbraw/zinc/48/68/77/829486877.db2.gz MLWPYGGVSZBVFD-UHFFFAOYSA-N 1 0 316.427 -0.757 20 30 DBEDRO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176639207 833414085 /nfs/dbraw/zinc/41/40/85/833414085.db2.gz PNCUEFUTYSNCHU-STQMWFEESA-N 1 0 315.439 -0.034 20 30 DBEDRO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176639199 833414164 /nfs/dbraw/zinc/41/41/64/833414164.db2.gz PNCUEFUTYSNCHU-CHWSQXEVSA-N 1 0 315.439 -0.034 20 30 DBEDRO N#Cc1ccc(N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001121581460 829494638 /nfs/dbraw/zinc/49/46/38/829494638.db2.gz PRTVBYKGLYLJBP-GFCCVEGCSA-N 1 0 304.354 -0.667 20 30 DBEDRO Cc1cc(N[C@H](CO)CNC(=O)C[NH+]2CCCC2)c(C#N)cn1 ZINC001121583197 829494732 /nfs/dbraw/zinc/49/47/32/829494732.db2.gz YSSREACPSRONHH-AWEZNQCLSA-N 1 0 317.393 -0.332 20 30 DBEDRO Cc1cc(N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001121589604 829494787 /nfs/dbraw/zinc/49/47/87/829494787.db2.gz GSTDMCXNVSUJJO-JSGCOSHPSA-N 1 0 317.393 -0.476 20 30 DBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2C#N)C1 ZINC001121590115 829496060 /nfs/dbraw/zinc/49/60/60/829496060.db2.gz IKEYRORJYDBORT-OLZOCXBDSA-N 1 0 303.366 -0.206 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2nccnc2C#N)C1 ZINC001121592113 829497318 /nfs/dbraw/zinc/49/73/18/829497318.db2.gz YMYIYQQZGXMNCL-WDEREUQCSA-N 1 0 304.354 -0.811 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1ccncc1C#N ZINC001121660132 829501087 /nfs/dbraw/zinc/50/10/87/829501087.db2.gz VUDNSGRURFDEQS-ZDUSSCGKSA-N 1 0 305.382 -0.394 20 30 DBEDRO Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001121667711 829501800 /nfs/dbraw/zinc/50/18/00/829501800.db2.gz DADIHGRIYWWXSS-CYBMUJFWSA-N 1 0 320.397 -0.114 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 ZINC001121667685 829501843 /nfs/dbraw/zinc/50/18/43/829501843.db2.gz CRKPIDYCKFMIAF-GFCCVEGCSA-N 1 0 306.370 -0.423 20 30 DBEDRO Cc1cc(N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)c(C#N)cn1 ZINC001121668675 829502185 /nfs/dbraw/zinc/50/21/85/829502185.db2.gz JDHSXOWLMPTLHB-AWEZNQCLSA-N 1 0 319.409 -0.087 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 ZINC001121668369 829502356 /nfs/dbraw/zinc/50/23/56/829502356.db2.gz HFZZLNXQLNQPBG-LBPRGKRZSA-N 1 0 306.370 -0.421 20 30 DBEDRO C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001276269356 833415813 /nfs/dbraw/zinc/41/58/13/833415813.db2.gz SSCJXXKJLDERTB-QWHCGFSZSA-N 1 0 315.439 -0.034 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 ZINC001121670120 829503524 /nfs/dbraw/zinc/50/35/24/829503524.db2.gz ROMJOTCWHMHYIA-GFCCVEGCSA-N 1 0 306.370 -0.423 20 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/nfs/dbraw/zinc/51/81/82/829518182.db2.gz RIPCWVLDSPGGHD-GXTWGEPZSA-N 1 0 320.397 -0.177 20 30 DBEDRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001121848372 829519381 /nfs/dbraw/zinc/51/93/81/829519381.db2.gz WWYIXEAZYRMQGX-CYBMUJFWSA-N 1 0 320.397 -0.031 20 30 DBEDRO C[NH+](C)[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)C1CC1 ZINC001122152939 829552006 /nfs/dbraw/zinc/55/20/06/829552006.db2.gz LTJJCUOTFSMXBK-AAEUAGOBSA-N 1 0 318.381 -0.423 20 30 DBEDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001122190358 829557538 /nfs/dbraw/zinc/55/75/38/829557538.db2.gz OPXRNDVKKLCZME-GFCCVEGCSA-N 1 0 320.397 -0.032 20 30 DBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C1CN(CC(=O)N2CCC2)C1 ZINC001276381693 833423685 /nfs/dbraw/zinc/42/36/85/833423685.db2.gz OLNIKJJOIZBMKE-QWHCGFSZSA-N 1 0 307.394 -0.307 20 30 DBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001122340713 829572286 /nfs/dbraw/zinc/57/22/86/829572286.db2.gz BQOICSANSVWOAY-HIFRSBDPSA-N 1 0 317.393 -0.252 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1cnn(C)c1 ZINC001176875809 833429279 /nfs/dbraw/zinc/42/92/79/833429279.db2.gz KCRXSDKJBQRAKX-UHFFFAOYSA-N 1 0 305.382 -0.802 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOC ZINC001122417082 829583011 /nfs/dbraw/zinc/58/30/11/829583011.db2.gz OCMBSIJTCIHDQH-SNVBAGLBSA-N 1 0 300.359 -0.871 20 30 DBEDRO C[NH+](C)CCCC(=O)NC[C@H](CO)Nc1ccc(C#N)nn1 ZINC001122416076 829583030 /nfs/dbraw/zinc/58/30/30/829583030.db2.gz COTWSWIPLPSRSN-GFCCVEGCSA-N 1 0 306.370 -0.421 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001176851131 833426177 /nfs/dbraw/zinc/42/61/77/833426177.db2.gz TVNUALSOELITBW-CYBMUJFWSA-N 1 0 322.409 -0.767 20 30 DBEDRO C[NH+](C)CC1(C(=O)NC[C@@H](CO)Nc2ccnc(C#N)n2)CC1 ZINC001122508975 829592293 /nfs/dbraw/zinc/59/22/93/829592293.db2.gz VHBSKHKNMJRTMX-NSHDSACASA-N 1 0 318.381 -0.999 20 30 DBEDRO C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 ZINC001122527513 829594101 /nfs/dbraw/zinc/59/41/01/829594101.db2.gz OYSIHFWEZWKWJW-RYUDHWBXSA-N 1 0 318.381 -0.421 20 30 DBEDRO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)C1 ZINC001122526865 829594176 /nfs/dbraw/zinc/59/41/76/829594176.db2.gz MSHIOSCYFUTVMH-YPMHNXCESA-N 1 0 318.381 -0.421 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(F)F ZINC001122573602 829598863 /nfs/dbraw/zinc/59/88/63/829598863.db2.gz AOJXYKAHSALRSH-MRVPVSSYSA-N 1 0 306.313 -0.252 20 30 DBEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001276439636 833428012 /nfs/dbraw/zinc/42/80/12/833428012.db2.gz HWQJPUIXDOURKG-LLVKDONJSA-N 1 0 318.443 -0.605 20 30 DBEDRO CC(=O)NCC(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001122667960 829608425 /nfs/dbraw/zinc/60/84/25/829608425.db2.gz PDSDMJFYFAGSAR-UHFFFAOYSA-N 1 0 304.350 -0.069 20 30 DBEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CNC(C)=O ZINC001122711108 829612434 /nfs/dbraw/zinc/61/24/34/829612434.db2.gz XAOUCRMMYPZLEM-LBPRGKRZSA-N 1 0 312.414 -0.359 20 30 DBEDRO CC#CC[NH+]1CC([C@H](C)NC(=O)Cn2nc(C)n(C)c2=O)C1 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C[NH+](C)CCOCC(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001128559708 830096696 /nfs/dbraw/zinc/09/66/96/830096696.db2.gz BTODUGFEDXUCJO-UHFFFAOYSA-N 1 0 320.397 -0.583 20 30 DBEDRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001128601310 830101456 /nfs/dbraw/zinc/10/14/56/830101456.db2.gz QMDVXRKKBXEXQE-UHFFFAOYSA-N 1 0 324.406 -0.297 20 30 DBEDRO CN(CC(=O)NCC[NH2+]Cc1ccccc1C#N)S(C)(=O)=O ZINC001128604358 830103476 /nfs/dbraw/zinc/10/34/76/830103476.db2.gz WHYIDVVQQYBJCX-UHFFFAOYSA-N 1 0 324.406 -0.345 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CN(C)C(=O)C2CC2)C1=O ZINC001128624386 830108266 /nfs/dbraw/zinc/10/82/66/830108266.db2.gz ZTTKTFQBVDQZCA-CYBMUJFWSA-N 1 0 322.409 -0.653 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001128678536 830119577 /nfs/dbraw/zinc/11/95/77/830119577.db2.gz AIMWRHKVZWAART-CQSZACIVSA-N 1 0 309.410 -0.154 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128678553 830119630 /nfs/dbraw/zinc/11/96/30/830119630.db2.gz AODVMDKHXKYRHP-RYUDHWBXSA-N 1 0 310.398 -0.749 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCNC(=O)C1CC1 ZINC001128702093 830124426 /nfs/dbraw/zinc/12/44/26/830124426.db2.gz ZPKFZQWHYQANDZ-LBPRGKRZSA-N 1 0 324.425 -0.311 20 30 DBEDRO CNC(=O)NCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001128790766 830131465 /nfs/dbraw/zinc/13/14/65/830131465.db2.gz ZQPNXNHOUAPVJP-UHFFFAOYSA-N 1 0 307.329 -0.168 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(COC)CCOCC1 ZINC001128850035 830135196 /nfs/dbraw/zinc/13/51/96/830135196.db2.gz NVVXGIZBONOQNC-UHFFFAOYSA-N 1 0 313.398 -0.562 20 30 DBEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128860646 830136670 /nfs/dbraw/zinc/13/66/70/830136670.db2.gz KGRGBLGOKKCASX-NEPJUHHUSA-N 1 0 306.370 -0.539 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nn2c(c1C)OCCC2 ZINC001128885368 830138997 /nfs/dbraw/zinc/13/89/97/830138997.db2.gz HPJYAIIGGVUDLH-UHFFFAOYSA-N 1 0 321.381 -0.404 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn3c2CCC3)C1=O ZINC001128927265 830141661 /nfs/dbraw/zinc/14/16/61/830141661.db2.gz KOTDFLXTUSKIIS-ZDUSSCGKSA-N 1 0 317.393 -0.064 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001128929073 830141890 /nfs/dbraw/zinc/14/18/90/830141890.db2.gz ALTYXSHEFBMFQZ-VNHYZAJKSA-N 1 0 323.397 -0.671 20 30 DBEDRO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001128939441 830143040 /nfs/dbraw/zinc/14/30/40/830143040.db2.gz QVUKCERZZQZQOD-MJBXVCDLSA-N 1 0 305.382 -0.196 20 30 DBEDRO C#CCOCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001128999398 830149038 /nfs/dbraw/zinc/14/90/38/830149038.db2.gz WVVPVODAOQSBSU-MCIONIFRSA-N 1 0 321.381 -0.960 20 30 DBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129154658 830155915 /nfs/dbraw/zinc/15/59/15/830155915.db2.gz VTCOXIDGPUWLSP-XQQFMLRXSA-N 1 0 318.381 -0.846 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1[nH]ncc1C(F)(F)F ZINC001129181697 830158261 /nfs/dbraw/zinc/15/82/61/830158261.db2.gz LZEGTXMSWOZXSP-UHFFFAOYSA-N 1 0 318.259 -0.612 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001129207373 830159207 /nfs/dbraw/zinc/15/92/07/830159207.db2.gz GKOXUXPSPARZFE-LBPRGKRZSA-N 1 0 317.393 -0.411 20 30 DBEDRO CC#CCN1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337762 830173318 /nfs/dbraw/zinc/17/33/18/830173318.db2.gz WUAAQXZMSUVUPL-CABCVRRESA-N 1 0 318.425 -0.015 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2ccccc2n1 ZINC001129479005 830182710 /nfs/dbraw/zinc/18/27/10/830182710.db2.gz GCFTYDRTDWSUKO-UHFFFAOYSA-N 1 0 312.333 -0.411 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001129568299 830192092 /nfs/dbraw/zinc/19/20/92/830192092.db2.gz BLRYTNCWGCKMDJ-KGLIPLIRSA-N 1 0 313.365 -0.310 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cn(C)nc1C ZINC001129600563 830195885 /nfs/dbraw/zinc/19/58/85/830195885.db2.gz MUPYCOLFFHZBJV-GFCCVEGCSA-N 1 0 307.398 -0.332 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1n1ccnn1 ZINC001129618299 830197004 /nfs/dbraw/zinc/19/70/04/830197004.db2.gz RLWGPEVYTDDRKO-OLZOCXBDSA-N 1 0 300.322 -0.055 20 30 DBEDRO C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129656274 830199935 /nfs/dbraw/zinc/19/99/35/830199935.db2.gz NILWTXILUISOCC-MCIONIFRSA-N 1 0 323.397 -0.407 20 30 DBEDRO C=CCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129666630 830200885 /nfs/dbraw/zinc/20/08/85/830200885.db2.gz DADAMUHEKHJASE-UTUOFQBUSA-N 1 0 306.370 -0.540 20 30 DBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001129681680 830201421 /nfs/dbraw/zinc/20/14/21/830201421.db2.gz VWSGLRKXOLSKOG-KGLIPLIRSA-N 1 0 323.397 -0.141 20 30 DBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129681328 830201699 /nfs/dbraw/zinc/20/16/99/830201699.db2.gz OWWQPWCBMADKBH-UPJWGTAASA-N 1 0 309.370 -0.797 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129677644 830201821 /nfs/dbraw/zinc/20/18/21/830201821.db2.gz JTNHTJSUOZFQLA-MJBXVCDLSA-N 1 0 305.382 -0.075 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1n1ccnn1 ZINC001129703490 830203373 /nfs/dbraw/zinc/20/33/73/830203373.db2.gz FDNQXHUZWQTKEV-KGLIPLIRSA-N 1 0 313.365 -0.012 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 ZINC001129748344 830206135 /nfs/dbraw/zinc/20/61/35/830206135.db2.gz YOELMUPTRCWVOP-OCCSQVGLSA-N 1 0 313.365 -0.310 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001129770168 830207680 /nfs/dbraw/zinc/20/76/80/830207680.db2.gz CGNGJRLMSVGPNK-KGLIPLIRSA-N 1 0 316.409 -0.431 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1n1ccnn1 ZINC001129762844 830208689 /nfs/dbraw/zinc/20/86/89/830208689.db2.gz QNWRGUGQTXOUMR-CABCVRRESA-N 1 0 315.377 -0.010 20 30 DBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@@H]1n1ccnn1 ZINC001129782761 830209376 /nfs/dbraw/zinc/20/93/76/830209376.db2.gz OHSWGYCOPYVPHE-TUAOUCFPSA-N 1 0 321.385 -0.748 20 30 DBEDRO C#CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CCC)[C@@H](n2ccnn2)C1 ZINC001129773946 830209443 /nfs/dbraw/zinc/20/94/43/830209443.db2.gz DVRJWAOZTFQWLH-OLZOCXBDSA-N 1 0 318.381 -0.831 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cncc(COC)c1 ZINC001129779434 830210412 /nfs/dbraw/zinc/21/04/12/830210412.db2.gz HVOXQQKYPSTATF-UHFFFAOYSA-N 1 0 306.366 -0.150 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1n1ccnn1 ZINC001129789096 830211395 /nfs/dbraw/zinc/21/13/95/830211395.db2.gz UIJNTVMRHYCUPK-VNHYZAJKSA-N 1 0 303.366 -0.420 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2OCCO[C@H]2C)C1=O ZINC001129807093 830213311 /nfs/dbraw/zinc/21/33/11/830213311.db2.gz ZAVNDEDUFVHHGN-XQQFMLRXSA-N 1 0 311.382 -0.717 20 30 DBEDRO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129876445 830222375 /nfs/dbraw/zinc/22/23/75/830222375.db2.gz QPZLEHVMEHCJNC-NEPJUHHUSA-N 1 0 320.397 -0.293 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(CC)CCNC1=O ZINC001129875785 830222488 /nfs/dbraw/zinc/22/24/88/830222488.db2.gz YRTKFKFMCYJBGQ-XHDPSFHLSA-N 1 0 310.398 -0.701 20 30 DBEDRO C=C(C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129879193 830223600 /nfs/dbraw/zinc/22/36/00/830223600.db2.gz WUEMNFAFKJEIDV-OLZOCXBDSA-N 1 0 320.397 -0.278 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001129878309 830223744 /nfs/dbraw/zinc/22/37/44/830223744.db2.gz LQALMALQOQKUEP-MRXNPFEDSA-N 1 0 309.410 -0.106 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc2n1CCOC2 ZINC001129897695 830225859 /nfs/dbraw/zinc/22/58/59/830225859.db2.gz NCRXNLZDMMCLTQ-LLVKDONJSA-N 1 0 321.381 -0.577 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COc1cc(C)on1 ZINC001129915232 830228302 /nfs/dbraw/zinc/22/83/02/830228302.db2.gz GMZDAEZVQXKLKT-LLVKDONJSA-N 1 0 308.338 -0.794 20 30 DBEDRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001129919590 830228509 /nfs/dbraw/zinc/22/85/09/830228509.db2.gz ZHEMQQSBWWNAOM-OLZOCXBDSA-N 1 0 319.413 -0.127 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 ZINC001129925214 830229425 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cc1C ZINC001133659654 830802904 /nfs/dbraw/zinc/80/29/04/830802904.db2.gz FRNIIUPNGZGJQY-NSHDSACASA-N 1 0 304.350 -0.447 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001133655109 830803696 /nfs/dbraw/zinc/80/36/96/830803696.db2.gz XJAHHSBULMNPAJ-UHFFFAOYSA-N 1 0 300.269 -0.694 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cc(C)on1 ZINC001133673219 830806660 /nfs/dbraw/zinc/80/66/60/830806660.db2.gz BPIDMHACIPTDMC-GFCCVEGCSA-N 1 0 306.366 -0.241 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1C ZINC001133708160 830812457 /nfs/dbraw/zinc/81/24/57/830812457.db2.gz QNOPFXMQLREIIX-VXGBXAGGSA-N 1 0 319.409 -0.036 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CSCC#N ZINC001133735357 830813875 /nfs/dbraw/zinc/81/38/75/830813875.db2.gz CSZVXHNURWWBGB-GHMZBOCLSA-N 1 0 311.411 -0.244 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133741416 830814979 /nfs/dbraw/zinc/81/49/79/830814979.db2.gz NPPBSARFLJTXJX-VXGBXAGGSA-N 1 0 310.398 -0.913 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133740144 830815226 /nfs/dbraw/zinc/81/52/26/830815226.db2.gz BDLHJCAKZDZLIO-VXGBXAGGSA-N 1 0 312.414 -0.360 20 30 DBEDRO NC(=O)[C@@H]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)O1 ZINC001133774152 830824291 /nfs/dbraw/zinc/82/42/91/830824291.db2.gz RMUWRNZMNGDWFG-LSDHHAIUSA-N 1 0 315.373 -0.223 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cn(C)nc1Cl ZINC001133793559 830827422 /nfs/dbraw/zinc/82/74/22/830827422.db2.gz POKSBRVVAOKZBM-UHFFFAOYSA-N 1 0 311.773 -0.929 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC12CC(OCC)C2 ZINC001133796479 830828354 /nfs/dbraw/zinc/82/83/54/830828354.db2.gz CBBPUMUZQMOUJR-UYJPIKCFSA-N 1 0 307.394 -0.353 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc2ncn(C)c2n1 ZINC001133803862 830828409 /nfs/dbraw/zinc/82/84/09/830828409.db2.gz IRTPTMNNBWSIEN-UHFFFAOYSA-N 1 0 316.365 -0.410 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001133831092 830831753 /nfs/dbraw/zinc/83/17/53/830831753.db2.gz RLOXIGQGCUHUSJ-QWRGUYRKSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133834822 830834079 /nfs/dbraw/zinc/83/40/79/830834079.db2.gz CYTGDJCSQUCHLC-WDEREUQCSA-N 1 0 319.427 -0.794 20 30 DBEDRO Cc1cnn(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC001133843983 830836250 /nfs/dbraw/zinc/83/62/50/830836250.db2.gz LNBYIHSVEFHMHE-OLZOCXBDSA-N 1 0 320.397 -0.296 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(CF)CCOCC1 ZINC001133862136 830840812 /nfs/dbraw/zinc/84/08/12/830840812.db2.gz ATDPANFPTMRTAW-GFCCVEGCSA-N 1 0 313.373 -0.404 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccnn1C ZINC001133870371 830844197 /nfs/dbraw/zinc/84/41/97/830844197.db2.gz CMYZBMQNMSKGNY-GHMZBOCLSA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133881040 830849250 /nfs/dbraw/zinc/84/92/50/830849250.db2.gz YQBHEBMNIXQVKN-JSGCOSHPSA-N 1 0 314.389 -0.360 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001133881042 830849759 /nfs/dbraw/zinc/84/97/59/830849759.db2.gz YQBHEBMNIXQVKN-TZMCWYRMSA-N 1 0 314.389 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001133893870 830850649 /nfs/dbraw/zinc/85/06/49/830850649.db2.gz VGIKFQRQWCELLF-CHWSQXEVSA-N 1 0 319.409 -0.415 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133913742 830853490 /nfs/dbraw/zinc/85/34/90/830853490.db2.gz WAFAGVJPANYUSG-RYUDHWBXSA-N 1 0 321.443 -0.389 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001133916287 830854378 /nfs/dbraw/zinc/85/43/78/830854378.db2.gz FWANKVHTIQIBCH-QWRGUYRKSA-N 1 0 305.382 -0.046 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133913743 830854980 /nfs/dbraw/zinc/85/49/80/830854980.db2.gz WAFAGVJPANYUSG-VXGBXAGGSA-N 1 0 321.443 -0.389 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001133946037 830862386 /nfs/dbraw/zinc/86/23/86/830862386.db2.gz QBGRWZDMXNUJBX-NEPJUHHUSA-N 1 0 310.398 -0.865 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CC ZINC001133969606 830867462 /nfs/dbraw/zinc/86/74/62/830867462.db2.gz NEULFELZFGLAPW-NWDGAFQWSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1ccon1 ZINC001133987004 830869869 /nfs/dbraw/zinc/86/98/69/830869869.db2.gz CBDZEYSYXGNTAA-NWDGAFQWSA-N 1 0 306.366 -0.161 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(CC)ncnc1CC ZINC001133985926 830869917 /nfs/dbraw/zinc/86/99/17/830869917.db2.gz QEVPAIMZOQVGAC-UHFFFAOYSA-N 1 0 317.393 -0.330 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1ccon1 ZINC001133987007 830869935 /nfs/dbraw/zinc/86/99/35/830869935.db2.gz CBDZEYSYXGNTAA-VXGBXAGGSA-N 1 0 306.366 -0.161 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1ccon1 ZINC001133987002 830870044 /nfs/dbraw/zinc/87/00/44/830870044.db2.gz CBDZEYSYXGNTAA-NEPJUHHUSA-N 1 0 306.366 -0.161 20 30 DBEDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nnn1C ZINC001133993093 830870505 /nfs/dbraw/zinc/87/05/05/830870505.db2.gz CTMSIAAIMAVHCZ-NXEZZACHSA-N 1 0 321.385 -0.750 20 30 DBEDRO Cc1c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nnn1C ZINC001133993096 830870921 /nfs/dbraw/zinc/87/09/21/830870921.db2.gz CTMSIAAIMAVHCZ-ZJUUUORDSA-N 1 0 321.385 -0.750 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1nnc[nH]1 ZINC001134040960 830882657 /nfs/dbraw/zinc/88/26/57/830882657.db2.gz ALDNHGXNPJXQHK-WDEREUQCSA-N 1 0 321.385 -0.750 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134044084 830883199 /nfs/dbraw/zinc/88/31/99/830883199.db2.gz UXENNYIHSSDCIM-NWDGAFQWSA-N 1 0 322.413 -0.088 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001134053289 830884127 /nfs/dbraw/zinc/88/41/27/830884127.db2.gz QWGZDLHBBHJQBH-XQQFMLRXSA-N 1 0 316.423 -0.282 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134098711 830888161 /nfs/dbraw/zinc/88/81/61/830888161.db2.gz HEKIIWOWFCOIAA-LBPRGKRZSA-N 1 0 308.386 -0.466 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001134129952 830895148 /nfs/dbraw/zinc/89/51/48/830895148.db2.gz ABZJMENXCHQLHZ-QWHCGFSZSA-N 1 0 320.397 -0.710 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001134130258 830895603 /nfs/dbraw/zinc/89/56/03/830895603.db2.gz FJFVKEVXALGWLS-CHWSQXEVSA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134130424 830896341 /nfs/dbraw/zinc/89/63/41/830896341.db2.gz HMDSRQKUPLXAKB-RYUDHWBXSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001134130802 830896381 /nfs/dbraw/zinc/89/63/81/830896381.db2.gz MQTVCAXJKHBVQE-KBPBESRZSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001134130696 830896429 /nfs/dbraw/zinc/89/64/29/830896429.db2.gz LJKGDMZEDTZVMU-QWRGUYRKSA-N 1 0 321.381 -0.110 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001134131359 830896467 /nfs/dbraw/zinc/89/64/67/830896467.db2.gz VFMVOTQTIGBSBU-OLZOCXBDSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001134131014 830896689 /nfs/dbraw/zinc/89/66/89/830896689.db2.gz PKQVTIILIMXQPZ-NEPJUHHUSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134130422 830896937 /nfs/dbraw/zinc/89/69/37/830896937.db2.gz HMDSRQKUPLXAKB-NEPJUHHUSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001134131382 830896942 /nfs/dbraw/zinc/89/69/42/830896942.db2.gz VMSLIJONZACIGA-CHWSQXEVSA-N 1 0 324.425 -0.477 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001134143868 830900432 /nfs/dbraw/zinc/90/04/32/830900432.db2.gz TVJSIHXVYAROLK-RYUDHWBXSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001134153098 830902178 /nfs/dbraw/zinc/90/21/78/830902178.db2.gz VMLDFPPVEBXDFV-NEPJUHHUSA-N 1 0 303.366 -0.288 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1ccnn1 ZINC001134193835 830907213 /nfs/dbraw/zinc/90/72/13/830907213.db2.gz PMXUZNLRSSNJGR-NWDGAFQWSA-N 1 0 321.385 -0.819 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134228952 830911226 /nfs/dbraw/zinc/91/12/26/830911226.db2.gz RJWDDUOVRUCETB-CHWSQXEVSA-N 1 0 319.409 -0.035 20 30 DBEDRO Cc1ccnc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134243570 830913524 /nfs/dbraw/zinc/91/35/24/830913524.db2.gz CALNCQKBYXHXBT-NEPJUHHUSA-N 1 0 318.381 -0.089 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240135 830913703 /nfs/dbraw/zinc/91/37/03/830913703.db2.gz MMRQLVORXDOVHJ-STQMWFEESA-N 1 0 309.410 -0.013 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134260183 830914457 /nfs/dbraw/zinc/91/44/57/830914457.db2.gz IMJHTFKFKNSOOX-WDEREUQCSA-N 1 0 306.370 -0.949 20 30 DBEDRO Cc1nnc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)o1 ZINC001134269073 830915629 /nfs/dbraw/zinc/91/56/29/830915629.db2.gz CYFSBRSRNQVIQY-ZJUUUORDSA-N 1 0 322.369 -0.567 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1noc2c1CCCC2 ZINC001134267080 830915699 /nfs/dbraw/zinc/91/56/99/830915699.db2.gz AYMYYDGUYXDDOP-UHFFFAOYSA-N 1 0 305.338 -0.487 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134269781 830916609 /nfs/dbraw/zinc/91/66/09/830916609.db2.gz JNZAOYJOYSOOQQ-WDEREUQCSA-N 1 0 306.370 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1n[nH]cc1C ZINC001134303249 830920692 /nfs/dbraw/zinc/92/06/92/830920692.db2.gz QAKIPFHDXGYMID-RYUDHWBXSA-N 1 0 305.382 -0.046 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134303200 830921078 /nfs/dbraw/zinc/92/10/78/830921078.db2.gz PIVVIEKETNDMBS-MNOVXSKESA-N 1 0 308.386 -0.396 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134303201 830921176 /nfs/dbraw/zinc/92/11/76/830921176.db2.gz PIVVIEKETNDMBS-QWRGUYRKSA-N 1 0 308.386 -0.396 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC12CC2 ZINC001134324092 830923040 /nfs/dbraw/zinc/92/30/40/830923040.db2.gz UFMVBQCCYPVQLI-MNOVXSKESA-N 1 0 308.382 -0.107 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2cnccc2n1 ZINC001134324361 830923178 /nfs/dbraw/zinc/92/31/78/830923178.db2.gz ZYALYNBTHLTKJJ-UHFFFAOYSA-N 1 0 312.333 -0.411 20 30 DBEDRO Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001134332876 830924022 /nfs/dbraw/zinc/92/40/22/830924022.db2.gz IQWREBAKDVTSIR-VXGBXAGGSA-N 1 0 318.381 -0.089 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356192 830927854 /nfs/dbraw/zinc/92/78/54/830927854.db2.gz NVECVYVRBXDQRX-WDEREUQCSA-N 1 0 322.413 -0.169 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001134373071 830929984 /nfs/dbraw/zinc/92/99/84/830929984.db2.gz QVHPDJXCTCASIY-RYUDHWBXSA-N 1 0 308.386 -0.377 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398855 830933855 /nfs/dbraw/zinc/93/38/55/830933855.db2.gz IEYNTTSWCOZZHX-MNOVXSKESA-N 1 0 306.370 -0.727 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401781 830934370 /nfs/dbraw/zinc/93/43/70/830934370.db2.gz WNEKYCLMWDNBAP-QWRGUYRKSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134487041 830939461 /nfs/dbraw/zinc/93/94/61/830939461.db2.gz GVUBRBBAHUWSJK-SNVBAGLBSA-N 1 0 313.789 -0.067 20 30 DBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487671 830940862 /nfs/dbraw/zinc/94/08/62/830940862.db2.gz XQEORWMMOMNZFA-LLVKDONJSA-N 1 0 306.432 -0.557 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134502766 830941894 /nfs/dbraw/zinc/94/18/94/830941894.db2.gz GLLQHIZVDXIKFD-QWHCGFSZSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn2cc(C)cnc12 ZINC001134534718 830947502 /nfs/dbraw/zinc/94/75/02/830947502.db2.gz LZKZOZGRSZSJTC-UHFFFAOYSA-N 1 0 314.349 -0.893 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539803 830947895 /nfs/dbraw/zinc/94/78/95/830947895.db2.gz FJKLBIXHDNECAK-VXGBXAGGSA-N 1 0 306.366 -0.947 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1c[nH]cn1 ZINC001134545942 830950140 /nfs/dbraw/zinc/95/01/40/830950140.db2.gz UCPDYIOIUUVWPQ-RYUDHWBXSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CCC)c1 ZINC001134543866 830950299 /nfs/dbraw/zinc/95/02/99/830950299.db2.gz LTNROMRWHCLJCV-GFCCVEGCSA-N 1 0 305.382 -0.250 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(N(C)C)c1 ZINC001134600614 830954796 /nfs/dbraw/zinc/95/47/96/830954796.db2.gz YXRNXSRJPUIMOU-UHFFFAOYSA-N 1 0 303.366 -0.784 20 30 DBEDRO Cc1ncn(C)c1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134652026 830961377 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C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001135297992 831047651 /nfs/dbraw/zinc/04/76/51/831047651.db2.gz CHNIAROTPBNUKZ-UHFFFAOYSA-N 1 0 317.271 -0.503 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1ccnc1C ZINC001135305417 831048439 /nfs/dbraw/zinc/04/84/39/831048439.db2.gz VCFCNZUOAYZONX-CYBMUJFWSA-N 1 0 319.409 -0.185 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135325203 831051973 /nfs/dbraw/zinc/05/19/73/831051973.db2.gz JZLMATKRZLEACR-NWDGAFQWSA-N 1 0 306.366 -0.094 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135339263 831053251 /nfs/dbraw/zinc/05/32/51/831053251.db2.gz BRVWQBGWUJOSEK-WDEREUQCSA-N 1 0 311.386 -0.893 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135341094 831055386 /nfs/dbraw/zinc/05/53/86/831055386.db2.gz YDZGCJFMCJUNIB-VXGBXAGGSA-N 1 0 312.414 -0.231 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341419 831055515 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C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H](C)C#N)C(=O)NC(N)=O ZINC001178058482 833489216 /nfs/dbraw/zinc/48/92/16/833489216.db2.gz FWLGKDNWWVERAV-WDEREUQCSA-N 1 0 311.386 -0.004 20 30 DBEDRO Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)no1 ZINC001178072826 833490518 /nfs/dbraw/zinc/49/05/18/833490518.db2.gz CYNBHHKFGRZGAX-QWRGUYRKSA-N 1 0 305.338 -0.185 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178085164 833491595 /nfs/dbraw/zinc/49/15/95/833491595.db2.gz PBYISYMKDMHYNK-LBPRGKRZSA-N 1 0 310.398 -0.734 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC001178124285 833494121 /nfs/dbraw/zinc/49/41/21/833494121.db2.gz JQCZEGGYFRYGSP-STQMWFEESA-N 1 0 302.378 -0.033 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC001178113395 833494412 /nfs/dbraw/zinc/49/44/12/833494412.db2.gz CSZPEKMRHCGISW-IHRRRGAJSA-N 1 0 317.393 -0.400 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cccn2)[C@H]1C ZINC001178131698 833495173 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322.409 -0.818 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCCO2)[C@H]1C ZINC001178174456 833496344 /nfs/dbraw/zinc/49/63/44/833496344.db2.gz HHLYPEPDUARGEY-IHRRRGAJSA-N 1 0 307.394 -0.116 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnns2)[C@H]1C ZINC001178189019 833497055 /nfs/dbraw/zinc/49/70/55/833497055.db2.gz SJLUVKOFBBBZCX-UWVGGRQHSA-N 1 0 307.379 -0.520 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cnns2)[C@H]1C ZINC001178210843 833497576 /nfs/dbraw/zinc/49/75/76/833497576.db2.gz BWPBFNXDFVRREW-VWYCJHECSA-N 1 0 321.406 -0.131 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178233798 833499070 /nfs/dbraw/zinc/49/90/70/833499070.db2.gz BKLNYMSEZBJULP-RYUDHWBXSA-N 1 0 302.396 -0.740 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC(=O)NCC ZINC001178267110 833499634 /nfs/dbraw/zinc/49/96/34/833499634.db2.gz XUDYZRBGMUJZHK-UHFFFAOYSA-N 1 0 324.425 -0.472 20 30 DBEDRO COCC#CC[NH2+]CCCCCCNC(=O)CN1CN=NC1=O ZINC001178267115 833499760 /nfs/dbraw/zinc/49/97/60/833499760.db2.gz XZMNKQQGPQTXDF-UHFFFAOYSA-N 1 0 323.397 -0.100 20 30 DBEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC001178324165 833501944 /nfs/dbraw/zinc/50/19/44/833501944.db2.gz JZWVEWBTYVTYLE-STQMWFEESA-N 1 0 322.409 -0.510 20 30 DBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178332165 833502005 /nfs/dbraw/zinc/50/20/05/833502005.db2.gz HHSJDEOUJMZMBL-DCAQKATOSA-N 1 0 312.370 -0.649 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(=O)C(C)(C)C ZINC001178364299 833503237 /nfs/dbraw/zinc/50/32/37/833503237.db2.gz SLSBAIVCPUZNNK-QWRGUYRKSA-N 1 0 308.382 -0.180 20 30 DBEDRO COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001178366522 833503256 /nfs/dbraw/zinc/50/32/56/833503256.db2.gz JSIMKPKKMWBMKM-AVGNSLFASA-N 1 0 310.398 -0.122 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C ZINC001178383608 833504492 /nfs/dbraw/zinc/50/44/92/833504492.db2.gz BXQBVXUWOWEWKL-AVGNSLFASA-N 1 0 322.409 -0.771 20 30 DBEDRO CC(C)[C@@H](O)C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178384233 833504704 /nfs/dbraw/zinc/50/47/04/833504704.db2.gz NVFLIXOUTCMRFP-CQSZACIVSA-N 1 0 312.414 -0.091 20 30 DBEDRO Cc1ncoc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178422532 833506674 /nfs/dbraw/zinc/50/66/74/833506674.db2.gz QEISBJPJYYJRCV-QWRGUYRKSA-N 1 0 305.338 -0.185 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@H]1COC(=O)C1 ZINC001178467771 833508218 /nfs/dbraw/zinc/50/82/18/833508218.db2.gz OFOFHLWCDXWFNJ-TUAOUCFPSA-N 1 0 322.365 -0.842 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCCO1 ZINC001178468227 833508253 /nfs/dbraw/zinc/50/82/53/833508253.db2.gz YADJHTFVIIBSOC-AVGNSLFASA-N 1 0 308.382 -0.226 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cccnc2)[C@H]1C ZINC001178472894 833508293 /nfs/dbraw/zinc/50/82/93/833508293.db2.gz FMNSUCXLPYMGKM-ZFWWWQNUSA-N 1 0 314.389 -0.048 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@](C)(O)C1CC1 ZINC001178486063 833508946 /nfs/dbraw/zinc/50/89/46/833508946.db2.gz XRFQYZHDBWDERE-RBOXIYTFSA-N 1 0 322.409 -0.244 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001178508749 833509546 /nfs/dbraw/zinc/50/95/46/833509546.db2.gz RULHLNAEGQEXIS-STQMWFEESA-N 1 0 322.409 -0.771 20 30 DBEDRO CNC(=O)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178517294 833510283 /nfs/dbraw/zinc/51/02/83/833510283.db2.gz OWKSCFAAMMWMFH-RYUDHWBXSA-N 1 0 323.397 -0.879 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1OCCCO1 ZINC001178551753 833513757 /nfs/dbraw/zinc/51/37/57/833513757.db2.gz OPMWUIRGHJXYMK-RYUDHWBXSA-N 1 0 324.381 -0.642 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178573099 833514982 /nfs/dbraw/zinc/51/49/82/833514982.db2.gz YSSGIJIPWMPEGU-BHDSKKPTSA-N 1 0 312.370 -0.913 20 30 DBEDRO C#CCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178587215 833516136 /nfs/dbraw/zinc/51/61/36/833516136.db2.gz CZVFHKQKEFDDGD-SRVKXCTJSA-N 1 0 308.382 -0.048 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2nnc(C)o2)[C@H]1C ZINC001178615008 833516540 /nfs/dbraw/zinc/51/65/40/833516540.db2.gz DLZXFJSNGYAETB-JQWIXIFHSA-N 1 0 319.365 -0.751 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnnn2CC)[C@H]1C ZINC001178621564 833517372 /nfs/dbraw/zinc/51/73/72/833517372.db2.gz IOPLBGZGAHGBIC-RYUDHWBXSA-N 1 0 318.381 -0.760 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001178660332 833519361 /nfs/dbraw/zinc/51/93/61/833519361.db2.gz UDOCYBQDMMLLKW-SRVKXCTJSA-N 1 0 308.382 -0.192 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001178653316 833519402 /nfs/dbraw/zinc/51/94/02/833519402.db2.gz RJSTYSBNHCAGET-STQMWFEESA-N 1 0 320.393 -0.223 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OCC#C)[C@H]1C ZINC001178679096 833519869 /nfs/dbraw/zinc/51/98/69/833519869.db2.gz YONPKHHIXUUQEF-MJBXVCDLSA-N 1 0 305.378 -0.647 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001178678848 833519939 /nfs/dbraw/zinc/51/99/39/833519939.db2.gz UOZJHPJPDUJBDY-MJBXVCDLSA-N 1 0 322.409 -0.371 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]1C ZINC001178678174 833519944 /nfs/dbraw/zinc/51/99/44/833519944.db2.gz AULFAWMXPSSGHF-XQQFMLRXSA-N 1 0 316.423 -0.352 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCOCC#C)[C@H]1C ZINC001178681778 833520076 /nfs/dbraw/zinc/52/00/76/833520076.db2.gz MJDVOYDZRXJNBN-KBPBESRZSA-N 1 0 305.378 -0.645 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178689649 833520893 /nfs/dbraw/zinc/52/08/93/833520893.db2.gz UNKVJQVUDBRHNP-MELADBBJSA-N 1 0 307.394 -0.164 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccns1 ZINC001178798855 833525230 /nfs/dbraw/zinc/52/52/30/833525230.db2.gz PTDJRUGOIQQZLS-UWVGGRQHSA-N 1 0 307.379 -0.025 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)[C@H]1C ZINC001178907652 833528064 /nfs/dbraw/zinc/52/80/64/833528064.db2.gz LTEYJHRLFUAWTJ-KBPBESRZSA-N 1 0 323.393 -0.926 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1OCCO[C@H]1C ZINC001178921220 833528632 /nfs/dbraw/zinc/52/86/32/833528632.db2.gz CXSYDKPMWYHFJM-MNXVOIDGSA-N 1 0 324.381 -0.991 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c(C)ncn2C)[C@H]1C ZINC001178940543 833529618 /nfs/dbraw/zinc/52/96/18/833529618.db2.gz KQAMPCYMCRMQTB-STQMWFEESA-N 1 0 317.393 -0.329 20 30 DBEDRO Cc1ncn(C)c1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178940982 833529624 /nfs/dbraw/zinc/52/96/24/833529624.db2.gz RKIQPFYSZGPEMU-RYUDHWBXSA-N 1 0 318.381 -0.439 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C ZINC001178957005 833531207 /nfs/dbraw/zinc/53/12/07/833531207.db2.gz HROZYLFFKKHPSG-MELADBBJSA-N 1 0 307.394 -0.116 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001178981824 833532357 /nfs/dbraw/zinc/53/23/57/833532357.db2.gz FJHQDNPKPPJIFE-FXUDXRNXSA-N 1 0 323.437 -0.066 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC001179024943 833533387 /nfs/dbraw/zinc/53/33/87/833533387.db2.gz DCLKXBIJGBDLBN-KBPBESRZSA-N 1 0 306.410 -0.637 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC001179045309 833535402 /nfs/dbraw/zinc/53/54/02/833535402.db2.gz GPQNTMOJXIDQKO-DCAQKATOSA-N 1 0 306.370 -0.312 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C)CC(N)=O ZINC001179226490 833538981 /nfs/dbraw/zinc/53/89/81/833538981.db2.gz WBLXNBBMZFAYIN-CYBMUJFWSA-N 1 0 324.425 -0.487 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2coc(OC)n2)[C@H]1C ZINC001179244725 833540369 /nfs/dbraw/zinc/54/03/69/833540369.db2.gz DJMRVDAQLBMAAJ-QWRGUYRKSA-N 1 0 320.349 -0.375 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001179320488 833543103 /nfs/dbraw/zinc/54/31/03/833543103.db2.gz UUWWOOULFRAESI-NHAGDIPZSA-N 1 0 322.409 -0.215 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001179355641 833544234 /nfs/dbraw/zinc/54/42/34/833544234.db2.gz JXFFAFLVJSHKHN-DKBOKBLXSA-N 1 0 305.378 -0.793 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCCCCNC(=O)C1(C(N)=O)CC1 ZINC001179430746 833546301 /nfs/dbraw/zinc/54/63/01/833546301.db2.gz OPKWUCOWNPDPOS-UHFFFAOYSA-N 1 0 324.425 -0.180 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccnnc1 ZINC001179594042 833552229 /nfs/dbraw/zinc/55/22/29/833552229.db2.gz GHPGBUPPCOLAEU-JQWIXIFHSA-N 1 0 302.338 -0.691 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC001179608748 833552629 /nfs/dbraw/zinc/55/26/29/833552629.db2.gz YVIMNTKOBJCOBM-AAEUAGOBSA-N 1 0 305.382 -0.167 20 30 DBEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667311 833554242 /nfs/dbraw/zinc/55/42/42/833554242.db2.gz YWOBKZDACYXHIA-UBHSHLNASA-N 1 0 324.425 -0.088 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C ZINC001179735305 833556446 /nfs/dbraw/zinc/55/64/46/833556446.db2.gz JZRHVMREWKPPCG-STQMWFEESA-N 1 0 318.377 -0.471 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC001179740448 833557199 /nfs/dbraw/zinc/55/71/99/833557199.db2.gz RRNDPHDGQUOKEF-DCAQKATOSA-N 1 0 304.354 -0.865 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)c1nnc[nH]1 ZINC001179853839 833561436 /nfs/dbraw/zinc/56/14/36/833561436.db2.gz VYTIFGMJMIRDNQ-LBPRGKRZSA-N 1 0 320.397 -0.178 20 30 DBEDRO CCn1cnc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)c1 ZINC001179933937 833564528 /nfs/dbraw/zinc/56/45/28/833564528.db2.gz OCHSHCONJLZMJL-RYUDHWBXSA-N 1 0 318.381 -0.265 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C ZINC001180037474 833567510 /nfs/dbraw/zinc/56/75/10/833567510.db2.gz PSWFUVMIHXVSEN-AEGPPILISA-N 1 0 307.394 -0.164 20 30 DBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001180089293 833569054 /nfs/dbraw/zinc/56/90/54/833569054.db2.gz WNBCOINJQZYOJI-STQMWFEESA-N 1 0 323.393 -0.083 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccn(C)n1 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ZINC001267991346 835617127 /nfs/dbraw/zinc/61/71/27/835617127.db2.gz LQFIBEKIUDCKQQ-LLVKDONJSA-N 1 0 305.382 -0.567 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cncc1C ZINC001267995083 835617437 /nfs/dbraw/zinc/61/74/37/835617437.db2.gz BTHXRTLWSODDFL-JSGCOSHPSA-N 1 0 319.409 -0.329 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ocnc1CC ZINC001268001894 835618056 /nfs/dbraw/zinc/61/80/56/835618056.db2.gz LJKSIHGVZYCIOD-LLVKDONJSA-N 1 0 306.366 -0.058 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1cncn1C ZINC001268008676 835618863 /nfs/dbraw/zinc/61/88/63/835618863.db2.gz BLBUTDGGUNRTQY-CHWSQXEVSA-N 1 0 319.409 -0.558 20 30 DBEDRO C=CCn1cc(C(=O)NC[C@H](C)C[NH2+][C@@H]2CCNC2=O)nn1 ZINC001268005572 835619204 /nfs/dbraw/zinc/61/92/04/835619204.db2.gz OOYNPXFCQFNOCK-GHMZBOCLSA-N 1 0 306.370 -0.692 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](C[C@H](O)COC)C2)CC1 ZINC001268043869 835625376 /nfs/dbraw/zinc/62/53/76/835625376.db2.gz RQKTWHINXUFBQL-CABCVRRESA-N 1 0 324.421 -0.044 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1n[nH]cc1C ZINC001268062784 835626895 /nfs/dbraw/zinc/62/68/95/835626895.db2.gz HBTJBYMUIRCTGZ-NWDGAFQWSA-N 1 0 305.382 -0.094 20 30 DBEDRO CC(C)C#CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001268061684 835626996 /nfs/dbraw/zinc/62/69/96/835626996.db2.gz YIEQSHIURDDYOV-AWEZNQCLSA-N 1 0 309.410 -0.059 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)n1cncn1 ZINC001268061950 835627210 /nfs/dbraw/zinc/62/72/10/835627210.db2.gz SDINYPCEHXHYPC-RYUDHWBXSA-N 1 0 308.386 -0.422 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1ccn(C)n1 ZINC001268062826 835627436 /nfs/dbraw/zinc/62/74/36/835627436.db2.gz HJHYYUFEFZNXCN-CHWSQXEVSA-N 1 0 319.409 -0.463 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1n[nH]cc1C ZINC001268062787 835627674 /nfs/dbraw/zinc/62/76/74/835627674.db2.gz HBTJBYMUIRCTGZ-VXGBXAGGSA-N 1 0 305.382 -0.094 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1ccn(C)n1 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ATLHGEQHJKJXDR-PHIMTYICSA-N 1 0 318.381 -0.527 20 30 DBEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001480238212 1010587572 /nfs/dbraw/zinc/58/75/72/1010587572.db2.gz PTAYWVBXGIAIEM-PHIMTYICSA-N 1 0 306.370 -0.420 20 30 DBEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001480248070 1010588401 /nfs/dbraw/zinc/58/84/01/1010588401.db2.gz IBYXTCAMGKPAFI-QWHCGFSZSA-N 1 0 322.409 -0.523 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC001480249627 1010588564 /nfs/dbraw/zinc/58/85/64/1010588564.db2.gz XUAATBSCSCWLCX-OLZOCXBDSA-N 1 0 307.398 -0.001 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC001480249629 1010588944 /nfs/dbraw/zinc/58/89/44/1010588944.db2.gz XUAATBSCSCWLCX-STQMWFEESA-N 1 0 307.398 -0.001 20 30 DBEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001480248068 1010590427 /nfs/dbraw/zinc/59/04/27/1010590427.db2.gz IBYXTCAMGKPAFI-CHWSQXEVSA-N 1 0 322.409 -0.523 20 30 DBEDRO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001480253677 1010594308 /nfs/dbraw/zinc/59/43/08/1010594308.db2.gz YTNNFAYXCSZQHS-ZIAGYGMSSA-N 1 0 309.410 -0.011 20 30 DBEDRO CC[C@@H](C(=O)NC[C@@H]1CCCN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263248 1010597951 /nfs/dbraw/zinc/59/79/51/1010597951.db2.gz MEKHZSKWYOMOIW-KBPBESRZSA-N 1 0 323.441 -0.205 20 30 DBEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001480267180 1010598137 /nfs/dbraw/zinc/59/81/37/1010598137.db2.gz IAYVRYHOQUGOAU-GFCCVEGCSA-N 1 0 320.397 -0.522 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001480274522 1010600004 /nfs/dbraw/zinc/60/00/04/1010600004.db2.gz NKRFSPKUNBPNOF-CYBMUJFWSA-N 1 0 310.398 -0.747 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001480274523 1010600781 /nfs/dbraw/zinc/60/07/81/1010600781.db2.gz NKRFSPKUNBPNOF-ZDUSSCGKSA-N 1 0 310.398 -0.747 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001480276420 1010601757 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C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC(=O)NC)C1 ZINC001480613738 1010716875 /nfs/dbraw/zinc/71/68/75/1010716875.db2.gz OEKJURGFEDMUNP-GFCCVEGCSA-N 1 0 310.398 -0.605 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001480611185 1010717428 /nfs/dbraw/zinc/71/74/28/1010717428.db2.gz AGHADJVEWZYHSC-YPMHNXCESA-N 1 0 322.409 -0.606 20 30 DBEDRO COC1(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001480614041 1010717718 /nfs/dbraw/zinc/71/77/18/1010717718.db2.gz DVHLXEKYZWMZPZ-GFCCVEGCSA-N 1 0 308.382 -0.224 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC001480613405 1010717803 /nfs/dbraw/zinc/71/78/03/1010717803.db2.gz NZICEFABSOEVEC-OLZOCXBDSA-N 1 0 317.393 -0.155 20 30 DBEDRO C#CCCCCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480618664 1010718847 /nfs/dbraw/zinc/71/88/47/1010718847.db2.gz MVKHSCOTUPFLHF-LBPRGKRZSA-N 1 0 308.382 -0.045 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnn(C)c2C)C1 ZINC001480615605 1010719281 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CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001568530775 1024925865 /nfs/dbraw/zinc/92/58/65/1024925865.db2.gz JFQNVMHHAYMVBZ-QWHCGFSZSA-N 1 0 318.377 -0.153 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1nonc1C ZINC001568546124 1024927890 /nfs/dbraw/zinc/92/78/90/1024927890.db2.gz VMWDQFNWMKDTFS-RYUDHWBXSA-N 1 0 319.365 -0.384 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001568538574 1024928645 /nfs/dbraw/zinc/92/86/45/1024928645.db2.gz ZTTDJZBHDSFZAK-WCQYABFASA-N 1 0 318.381 -0.534 20 30 DBEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001568551891 1024934693 /nfs/dbraw/zinc/93/46/93/1024934693.db2.gz WZRIUTATHGYUAU-UHFFFAOYSA-N 1 0 308.382 -0.107 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)nc1 ZINC001568552747 1024934774 /nfs/dbraw/zinc/93/47/74/1024934774.db2.gz OPKDAFNYRKSBMY-CMPLNLGQSA-N 1 0 324.356 -0.408 20 30 DBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001568552383 1024935643 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C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC001319348527 806371813 /nfs/dbraw/zinc/37/18/13/806371813.db2.gz UQEIXFMKKNHZDY-LLVKDONJSA-N 1 0 304.354 -0.197 20 30 DBEDRO CC#CC[NH2+]C1(CNC(=O)CN2CCC(=O)NC2=O)CCCC1 ZINC001319385390 806373068 /nfs/dbraw/zinc/37/30/68/806373068.db2.gz LTFGPHLWEWQIBS-UHFFFAOYSA-N 1 0 320.393 -0.030 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1cnn(C)c1 ZINC001319431821 806376936 /nfs/dbraw/zinc/37/69/36/806376936.db2.gz WMXFFUXFLSCYDE-OLZOCXBDSA-N 1 0 319.409 -0.463 20 30 DBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001319467851 806382488 /nfs/dbraw/zinc/38/24/88/806382488.db2.gz WUTVNCHFEZFEQV-ZIAGYGMSSA-N 1 0 309.410 -0.059 20 30 DBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000863824744 806377553 /nfs/dbraw/zinc/37/75/53/806377553.db2.gz IALYLXKCJCKJFT-LBPRGKRZSA-N 1 0 303.428 -0.108 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccncc1F ZINC001319438797 806379219 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N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CSCC#N ZINC001320115240 806441331 /nfs/dbraw/zinc/44/13/31/806441331.db2.gz AHCCIPMPYUEWFL-RYUDHWBXSA-N 1 0 323.422 -0.243 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cnc(C)[nH]1 ZINC001320128572 806442557 /nfs/dbraw/zinc/44/25/57/806442557.db2.gz MDTOKKRQXDUXRW-CHWSQXEVSA-N 1 0 317.393 -0.044 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC001320183040 806446726 /nfs/dbraw/zinc/44/67/26/806446726.db2.gz JJEPBXOVFOXWSS-MNOVXSKESA-N 1 0 306.370 -0.563 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)cc1 ZINC001320189001 806447630 /nfs/dbraw/zinc/44/76/30/806447630.db2.gz OZCGPUBAYZFTEK-BXUZGUMPSA-N 1 0 321.352 -0.356 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cncs2)C1=O ZINC001320199831 806448566 /nfs/dbraw/zinc/44/85/66/806448566.db2.gz CMTPQXNVUJMNSX-WDEREUQCSA-N 1 0 324.406 -0.390 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)c2cncs2)C1=O ZINC001320199825 806448762 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C#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001100936514 827048257 /nfs/dbraw/zinc/04/82/57/827048257.db2.gz PHCHTCWZZDIUJC-UHFFFAOYSA-N 1 0 316.361 -0.365 20 30 DBEDRO C=CC[NH2+]C1CC(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001100943006 827048785 /nfs/dbraw/zinc/04/87/85/827048785.db2.gz SPGGTFLYMPYUNY-UHFFFAOYSA-N 1 0 308.382 -0.013 20 30 DBEDRO C=CCOCC[NH2+]C1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001100956058 827050421 /nfs/dbraw/zinc/05/04/21/827050421.db2.gz MZPVQNMGXHQKEL-UHFFFAOYSA-N 1 0 324.381 -0.775 20 30 DBEDRO C=C(Cl)C[NH2+]C1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001100956047 827051070 /nfs/dbraw/zinc/05/10/70/827051070.db2.gz MGZJLLPZXYSYGO-UHFFFAOYSA-N 1 0 314.773 -0.225 20 30 DBEDRO C#CCC[NH2+]C1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001100959490 827051761 /nfs/dbraw/zinc/05/17/61/827051761.db2.gz WGSHLPNWDJTXAX-MCIGGMRASA-N 1 0 306.366 -0.518 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cncn2)C1 ZINC001100959411 827052384 /nfs/dbraw/zinc/05/23/84/827052384.db2.gz UGYZCVZSNUCKIR-HIFPTAJRSA-N 1 0 320.397 -0.547 20 30 DBEDRO C#CCC[NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001100977998 827055963 /nfs/dbraw/zinc/05/59/63/827055963.db2.gz FOZIDMLZOGAWQQ-UHFFFAOYSA-N 1 0 304.350 -0.393 20 30 DBEDRO C=CC[NH2+]C1CC(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001100980725 827057307 /nfs/dbraw/zinc/05/73/07/827057307.db2.gz DANLJMXBIYUJBO-UHFFFAOYSA-N 1 0 315.439 -0.613 20 30 DBEDRO Cn1ccc(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)n1 ZINC001100982018 827057927 /nfs/dbraw/zinc/05/79/27/827057927.db2.gz JTSSSGPXGSJYJM-UHFFFAOYSA-N 1 0 304.354 -0.842 20 30 DBEDRO C=C(Cl)C[NH2+]C1CC(CNC(=O)CS(=O)(=O)NC)C1 ZINC001100994432 827060258 /nfs/dbraw/zinc/06/02/58/827060258.db2.gz RGPXYDCAIYUGPZ-UHFFFAOYSA-N 1 0 309.819 -0.228 20 30 DBEDRO C=C(C)C[NH+]1CCC(CO)(NC(=O)CS(=O)(=O)NC)CC1 ZINC001274941698 833142272 /nfs/dbraw/zinc/14/22/72/833142272.db2.gz RAIRVWOGHGFSCK-UHFFFAOYSA-N 1 0 319.427 -0.945 20 30 DBEDRO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001101004952 827061231 /nfs/dbraw/zinc/06/12/31/827061231.db2.gz PEWCXFYXTBKCLQ-YMAMQOFZSA-N 1 0 307.394 -0.259 20 30 DBEDRO COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001101037429 827065745 /nfs/dbraw/zinc/06/57/45/827065745.db2.gz MIXRBDZTTNBWIT-SLTAFYQDSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C)OCC=C)C1 ZINC001101058783 827068936 /nfs/dbraw/zinc/06/89/36/827068936.db2.gz UQNDFGPKRVZFIU-HSBZDZAISA-N 1 0 307.394 -0.189 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCCC(N)=O)C1 ZINC001101069091 827069366 /nfs/dbraw/zinc/06/93/66/827069366.db2.gz HHPNYWFQIQUMHO-UHFFFAOYSA-N 1 0 310.398 -0.571 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCCC(N)=O)C1 ZINC001101072459 827070679 /nfs/dbraw/zinc/07/06/79/827070679.db2.gz LYGZZMJOHQKOOB-HIFPTAJRSA-N 1 0 324.425 -0.183 20 30 DBEDRO COCC#CC[NH2+]C1CC(CNC(=O)[C@H](C)N2CCOCC2)C1 ZINC001101080309 827072224 /nfs/dbraw/zinc/07/22/24/827072224.db2.gz JENJVCDBZGOWFI-FHERZECASA-N 1 0 323.437 -0.159 20 30 DBEDRO C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)CC(N)=O)c2)C1 ZINC001101091476 827072911 /nfs/dbraw/zinc/07/29/11/827072911.db2.gz CDJWDAPRODTRQY-AWEZNQCLSA-N 1 0 316.361 -0.341 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCNS(C)(=O)=O ZINC001275003963 833145693 /nfs/dbraw/zinc/14/56/93/833145693.db2.gz HHBFNGAPAZHXGI-ZDUSSCGKSA-N 1 0 315.439 -0.080 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)CNS(=O)(=O)NC ZINC001163284303 833144772 /nfs/dbraw/zinc/14/47/72/833144772.db2.gz ZDUQPQNNALCXJP-NSHDSACASA-N 1 0 306.432 -0.509 20 30 DBEDRO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COCCO3)C[C@]2(C)C1 ZINC001101131168 827079668 /nfs/dbraw/zinc/07/96/68/827079668.db2.gz QDUGQVVKVPUWSA-INMHGKMJSA-N 1 0 322.405 -0.168 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(=O)[nH]c1 ZINC001275006991 833146155 /nfs/dbraw/zinc/14/61/55/833146155.db2.gz HMGSWDGNONYLDC-MNOVXSKESA-N 1 0 304.350 -0.367 20 30 DBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)OC)C[C@]2(C)C1 ZINC001101153724 827080831 /nfs/dbraw/zinc/08/08/31/827080831.db2.gz BHWOQCSOPFUSID-KEYYUXOJSA-N 1 0 321.421 -0.059 20 30 DBEDRO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C(C)=O)C[C@]2(C)C1 ZINC001101136429 827081164 /nfs/dbraw/zinc/08/11/64/827081164.db2.gz TWZUONDSDFJEOR-WBVHZDCISA-N 1 0 321.421 -0.105 20 30 DBEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC001101173075 827083652 /nfs/dbraw/zinc/08/36/52/827083652.db2.gz IVGOCUHDCWKKEZ-ZENOOKHLSA-N 1 0 302.378 -0.324 20 30 DBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001275030605 833146962 /nfs/dbraw/zinc/14/69/62/833146962.db2.gz WKKXPMYYOXHAQX-VXGBXAGGSA-N 1 0 304.412 -0.140 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001163317989 833147128 /nfs/dbraw/zinc/14/71/28/833147128.db2.gz KNFOEDXQZKBENK-CHWSQXEVSA-N 1 0 324.425 -0.311 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001163318373 833147154 /nfs/dbraw/zinc/14/71/54/833147154.db2.gz WGVBSJJJFVZNBZ-STQMWFEESA-N 1 0 322.409 -0.864 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cncc(C)c1 ZINC001163324604 833147168 /nfs/dbraw/zinc/14/71/68/833147168.db2.gz KZTMOLHIDPTTCT-UHFFFAOYSA-N 1 0 302.378 -0.222 20 30 DBEDRO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001101220211 827089067 /nfs/dbraw/zinc/08/90/67/827089067.db2.gz WAJBRQYRYXIEHC-IOASZLSFSA-N 1 0 321.377 -0.475 20 30 DBEDRO C#CCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101216467 827089172 /nfs/dbraw/zinc/08/91/72/827089172.db2.gz DWFFQMIWQXPJGZ-WBMJQRKESA-N 1 0 320.393 -0.235 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC001275048272 833147727 /nfs/dbraw/zinc/14/77/27/833147727.db2.gz GHXNSWJAFCGHOE-ZDUSSCGKSA-N 1 0 320.397 -0.449 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NC)C[C@@]2(C)C1 ZINC001101230935 827090960 /nfs/dbraw/zinc/09/09/60/827090960.db2.gz PGHLZKDAXNSDMN-ZENOOKHLSA-N 1 0 307.394 -0.449 20 30 DBEDRO C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)NC(=O)COC)C[C@]2(C)C1 ZINC001101247771 827091485 /nfs/dbraw/zinc/09/14/85/827091485.db2.gz RWDKRXQDADYERZ-VBQJREDUSA-N 1 0 321.421 -0.059 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001275038155 833147913 /nfs/dbraw/zinc/14/79/13/833147913.db2.gz GXWOQCKYWSKNFV-NWDGAFQWSA-N 1 0 304.412 -0.589 20 30 DBEDRO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3ncnn3)C[C@]2(C)C1 ZINC001101240965 827092076 /nfs/dbraw/zinc/09/20/76/827092076.db2.gz KFXHAKOWXTUHKB-HIFRSBDPSA-N 1 0 318.381 -0.897 20 30 DBEDRO C#CCOCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@]2(C)C1 ZINC001101236271 827092226 /nfs/dbraw/zinc/09/22/26/827092226.db2.gz PXCNFVXOQKGHLI-VBQJREDUSA-N 1 0 321.421 -0.059 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN1CCCC1=O ZINC001275070696 833148733 /nfs/dbraw/zinc/14/87/33/833148733.db2.gz JDWABSIZTDPSIN-RYUDHWBXSA-N 1 0 310.398 -0.606 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001163349764 833148981 /nfs/dbraw/zinc/14/89/81/833148981.db2.gz BZHKQBXXTUZBKJ-CQSZACIVSA-N 1 0 308.382 -0.147 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cc(C)nn1C ZINC001275085128 833150031 /nfs/dbraw/zinc/15/00/31/833150031.db2.gz FTPMOOQYYCRCSY-RYUDHWBXSA-N 1 0 305.382 -0.426 20 30 DBEDRO C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)c1nccn12 ZINC001101641294 827128221 /nfs/dbraw/zinc/12/82/21/827128221.db2.gz MNNCAIBILGVNEV-NSHDSACASA-N 1 0 303.366 -0.094 20 30 DBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1CCOCC1 ZINC001101666000 827130627 /nfs/dbraw/zinc/13/06/27/827130627.db2.gz QDRIGBJLJBLUMJ-TZMCWYRMSA-N 1 0 322.409 -0.263 20 30 DBEDRO CN(CCNc1ccnc(C#N)n1)C(=O)C1CC[NH+](C)CC1 ZINC001101671897 827132254 /nfs/dbraw/zinc/13/22/54/827132254.db2.gz LLPZRRWROMLZIG-UHFFFAOYSA-N 1 0 302.382 -0.018 20 30 DBEDRO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H](C)C1 ZINC001101694536 827135923 /nfs/dbraw/zinc/13/59/23/827135923.db2.gz BVNBSKPOQBODBA-YRGRVCCFSA-N 1 0 324.425 -0.503 20 30 DBEDRO COCC#CC[N@H+]1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101716512 827139640 /nfs/dbraw/zinc/13/96/40/827139640.db2.gz BTJGNNNDCANGGW-CHWSQXEVSA-N 1 0 306.370 -0.993 20 30 DBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)OCC)[C@H](C)C1 ZINC001101752138 827143958 /nfs/dbraw/zinc/14/39/58/827143958.db2.gz NJWHPYMBRPGLEQ-MGPQQGTHSA-N 1 0 309.410 -0.155 20 30 DBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCCO1 ZINC001101759400 827145484 /nfs/dbraw/zinc/14/54/84/827145484.db2.gz PDOOLGXHDKYKKT-MCIONIFRSA-N 1 0 322.409 -0.121 20 30 DBEDRO Cc1ocnc1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001101775542 827146540 /nfs/dbraw/zinc/14/65/40/827146540.db2.gz DTVFYKPWHCXDEN-ZYHUDNBSSA-N 1 0 319.365 -0.080 20 30 DBEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnsn1 ZINC001101767981 827146905 /nfs/dbraw/zinc/14/69/05/827146905.db2.gz RVRXMIMHVQRBMG-NXEZZACHSA-N 1 0 322.394 -0.524 20 30 DBEDRO CC(C)OCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001101789973 827148287 /nfs/dbraw/zinc/14/82/87/827148287.db2.gz NYDYOIMTMYTGFM-CHWSQXEVSA-N 1 0 310.398 -0.265 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KWNHYLGXDHEFPM-GFCCVEGCSA-N 1 0 304.354 -0.667 20 30 DBEDRO CCCC[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001276256424 833414712 /nfs/dbraw/zinc/41/47/12/833414712.db2.gz WUKAMLQUCLJRIG-GFCCVEGCSA-N 1 0 308.382 -0.141 20 30 DBEDRO Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001121591822 829495381 /nfs/dbraw/zinc/49/53/81/829495381.db2.gz WPMMFBOHNBIYJP-AAEUAGOBSA-N 1 0 318.381 -0.503 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2ncccc2C#N)C1 ZINC001121590116 829495459 /nfs/dbraw/zinc/49/54/59/829495459.db2.gz IKEYRORJYDBORT-QWHCGFSZSA-N 1 0 303.366 -0.206 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)C1 ZINC001121591708 829495556 /nfs/dbraw/zinc/49/55/56/829495556.db2.gz VBRVVCZXUJKFMW-NWDGAFQWSA-N 1 0 321.356 -0.067 20 30 DBEDRO COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001121654151 829500191 /nfs/dbraw/zinc/50/01/91/829500191.db2.gz SNSGIUBXDFBTDV-HTVNSPLZSA-N 1 0 320.393 -0.665 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1nccnc1C#N ZINC001121660190 829500979 /nfs/dbraw/zinc/50/09/79/829500979.db2.gz WHIDBJCADOJRDN-LLVKDONJSA-N 1 0 306.370 -0.421 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1ccnc(C#N)n1 ZINC001121658902 829501171 /nfs/dbraw/zinc/50/11/71/829501171.db2.gz MISHLXJXYVACQT-LLVKDONJSA-N 1 0 306.370 -0.999 20 30 DBEDRO C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001121654546 829501449 /nfs/dbraw/zinc/50/14/49/829501449.db2.gz WZVOEJOAGCFIFC-KSISSFPLSA-N 1 0 322.409 -0.113 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001121670794 829502942 /nfs/dbraw/zinc/50/29/42/829502942.db2.gz UWSUJOBLXVJXPM-LBPRGKRZSA-N 1 0 306.370 -0.423 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)CC1 ZINC001121717755 829506106 /nfs/dbraw/zinc/50/61/06/829506106.db2.gz JPBVOSWNTLHNGM-ZDUSSCGKSA-N 1 0 318.381 -0.421 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@H](CO)Nc2ccc(C#N)nn2)CC1 ZINC001121718961 829506838 /nfs/dbraw/zinc/50/68/38/829506838.db2.gz UOPLWKUQQJEFKB-CYBMUJFWSA-N 1 0 318.381 -0.421 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2ccncc2C#N)CC1 ZINC001121718943 829507047 /nfs/dbraw/zinc/50/70/47/829507047.db2.gz UGSWSBBZJJYZSA-AWEZNQCLSA-N 1 0 317.393 -0.394 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001176827569 833420913 /nfs/dbraw/zinc/42/09/13/833420913.db2.gz WPLUOFLJIGUNEO-CQSZACIVSA-N 1 0 319.409 -0.105 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 ZINC001121807340 829514042 /nfs/dbraw/zinc/51/40/42/829514042.db2.gz SIYDTPCSMIIRAL-ZDUSSCGKSA-N 1 0 321.381 -0.580 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 ZINC001121806213 829514133 /nfs/dbraw/zinc/51/41/33/829514133.db2.gz JASQZLBBYWZIHH-CQSZACIVSA-N 1 0 321.381 -0.580 20 30 DBEDRO N#Cc1cnc(N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001121807421 829514585 /nfs/dbraw/zinc/51/45/85/829514585.db2.gz UXOQHJSXGHAZBT-GFCCVEGCSA-N 1 0 316.365 -0.667 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccncc2C#N)C1 ZINC001121806678 829514686 /nfs/dbraw/zinc/51/46/86/829514686.db2.gz MWSFBBLZUVTMJA-JSGCOSHPSA-N 1 0 317.393 -0.394 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 ZINC001121807836 829515132 /nfs/dbraw/zinc/51/51/32/829515132.db2.gz YXHXMDNLVIFYQG-YPMHNXCESA-N 1 0 318.381 -0.421 20 30 DBEDRO CC[C@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)[NH+](C)C ZINC001121812103 829515326 /nfs/dbraw/zinc/51/53/26/829515326.db2.gz KBKYYXBXOOQHLD-NWDGAFQWSA-N 1 0 306.370 -0.423 20 30 DBEDRO N#Cc1nccnc1N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001121807446 829515356 /nfs/dbraw/zinc/51/53/56/829515356.db2.gz VHWAXQYKUGUDJU-NSHDSACASA-N 1 0 316.365 -0.667 20 30 DBEDRO CC[C@@H](C(=O)NC[C@H](CO)Nc1cc(C)ncc1C#N)[NH+](C)C ZINC001121812431 829515586 /nfs/dbraw/zinc/51/55/86/829515586.db2.gz NGNAUQZQKKAYAL-HIFRSBDPSA-N 1 0 319.409 -0.087 20 30 DBEDRO CC[C@H](C(=O)NC[C@@H](CO)Nc1cc(C)ncc1C#N)[NH+](C)C ZINC001121812430 829515663 /nfs/dbraw/zinc/51/56/63/829515663.db2.gz NGNAUQZQKKAYAL-DZGCQCFKSA-N 1 0 319.409 -0.087 20 30 DBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)NS(C)(=O)=O)C2)C1 ZINC001121829249 829517417 /nfs/dbraw/zinc/51/74/17/829517417.db2.gz QYRZTAPBGPEWSZ-ZZIMEFBRSA-N 1 0 313.423 -0.426 20 30 DBEDRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001121846759 829518233 /nfs/dbraw/zinc/51/82/33/829518233.db2.gz AZNBGXYKEQRUKO-CQSZACIVSA-N 1 0 319.409 -0.004 20 30 DBEDRO CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1ccncc1C#N)[NH+](C)C ZINC001121841162 829518269 /nfs/dbraw/zinc/51/82/69/829518269.db2.gz YJLLCSIFWWBREN-HIFRSBDPSA-N 1 0 319.409 -0.150 20 30 DBEDRO CC(C)[C@@H](C(=O)NC[C@@H](CO)Nc1ccnc(C#N)n1)[NH+](C)C ZINC001121839861 829518381 /nfs/dbraw/zinc/51/83/81/829518381.db2.gz OEPPAULFQHPASB-FZMZJTMJSA-N 1 0 320.397 -0.755 20 30 DBEDRO C[NH+](C)CCCCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001121848041 829519189 /nfs/dbraw/zinc/51/91/89/829519189.db2.gz UGZQLTJMNMCOOI-ZDUSSCGKSA-N 1 0 320.397 -0.031 20 30 DBEDRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Nc1nccnc1C#N ZINC001121847608 829519223 /nfs/dbraw/zinc/51/92/23/829519223.db2.gz RAMWALVYEXXEBH-GFCCVEGCSA-N 1 0 320.397 -0.031 20 30 DBEDRO C[NH+](C)CCCCC(=O)NC[C@H](CO)Nc1ccnc(C#N)n1 ZINC001121847592 829519582 /nfs/dbraw/zinc/51/95/82/829519582.db2.gz QOOJWYOQTUOAGI-GFCCVEGCSA-N 1 0 320.397 -0.609 20 30 DBEDRO C=CCN(C(=O)C[C@]1(O)CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC001121852346 829519589 /nfs/dbraw/zinc/51/95/89/829519589.db2.gz ULCWXNWCKCRXAX-GXTWGEPZSA-N 1 0 316.423 -0.307 20 30 DBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001176739564 833417881 /nfs/dbraw/zinc/41/78/81/833417881.db2.gz WSJRLBMALCVMLN-CYBMUJFWSA-N 1 0 320.397 -0.708 20 30 DBEDRO CCC[N@H+](C)CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001121887741 829523513 /nfs/dbraw/zinc/52/35/13/829523513.db2.gz JMDXTYQYMKQKOY-GFCCVEGCSA-N 1 0 306.370 -0.421 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)c3nnc[nH]3)C2)C1 ZINC001121924241 829529098 /nfs/dbraw/zinc/52/90/98/829529098.db2.gz SUROUTNMGIIMQW-UHFFFAOYSA-N 1 0 318.381 -0.263 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)CNC(=O)c1ccccn1 ZINC001176812640 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C#CC[NH2+]C[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)CC[C@H]1C ZINC001132865565 830709572 /nfs/dbraw/zinc/70/95/72/830709572.db2.gz OZWFUPAHEDQWMB-OLZOCXBDSA-N 1 0 315.439 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nc(Cl)cs1 ZINC001132873011 830710593 /nfs/dbraw/zinc/71/05/93/830710593.db2.gz WDKKHIYSURBNSB-UHFFFAOYSA-N 1 0 300.771 -0.135 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001132926595 830717055 /nfs/dbraw/zinc/71/70/55/830717055.db2.gz HEOLNYKLUFYTQI-GFCCVEGCSA-N 1 0 319.409 -0.152 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132926519 830717187 /nfs/dbraw/zinc/71/71/87/830717187.db2.gz CAGXKWKINCPQAA-UHFFFAOYSA-N 1 0 303.322 -0.367 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001132931714 830718093 /nfs/dbraw/zinc/71/80/93/830718093.db2.gz CIOUYMIINKGTIA-UONOGXRCSA-N 1 0 319.409 -0.321 20 30 DBEDRO C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001132944881 830720397 /nfs/dbraw/zinc/72/03/97/830720397.db2.gz AVWBYTJXSQQURU-WDEREUQCSA-N 1 0 319.369 -0.868 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@H]1C ZINC001132946554 830720565 /nfs/dbraw/zinc/72/05/65/830720565.db2.gz TVHPFXPRPFBNBZ-NEPJUHHUSA-N 1 0 320.397 -0.205 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001133030480 830734726 /nfs/dbraw/zinc/73/47/26/830734726.db2.gz CRKRXUMMWHTOQW-KGLIPLIRSA-N 1 0 308.426 -0.322 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001133031689 830735404 /nfs/dbraw/zinc/73/54/04/830735404.db2.gz RPUOOCZKAFQBTA-UONOGXRCSA-N 1 0 306.410 -0.874 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(F)ccc1F ZINC001133037710 830736329 /nfs/dbraw/zinc/73/63/29/830736329.db2.gz YZPZAZYXZFTVQO-UHFFFAOYSA-N 1 0 309.316 -0.038 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C ZINC001133087623 830740497 /nfs/dbraw/zinc/74/04/97/830740497.db2.gz RHFWJOKHUCKUAL-QWHCGFSZSA-N 1 0 315.439 -0.238 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C2)nn1 ZINC001133153958 830748025 /nfs/dbraw/zinc/74/80/25/830748025.db2.gz AMNKPTUIQJBXNR-NWDGAFQWSA-N 1 0 320.397 -0.363 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001133165198 830748179 /nfs/dbraw/zinc/74/81/79/830748179.db2.gz CRHACRALRROXKR-YPMHNXCESA-N 1 0 305.378 -0.253 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001133173405 830748820 /nfs/dbraw/zinc/74/88/20/830748820.db2.gz DVXVCLSGISPQEK-QWHCGFSZSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001133178676 830749026 /nfs/dbraw/zinc/74/90/26/830749026.db2.gz VXUZXGCXFIUUFC-RYUDHWBXSA-N 1 0 318.381 -0.758 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001133185597 830750075 /nfs/dbraw/zinc/75/00/75/830750075.db2.gz GAZHSJJSOAEZGE-RYUDHWBXSA-N 1 0 308.382 -0.202 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2nonc2c1 ZINC001133220103 830759135 /nfs/dbraw/zinc/75/91/35/830759135.db2.gz GEBQNJUEYVLTPB-JTQLQIEISA-N 1 0 315.333 -0.320 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@@H]1C ZINC001133297298 830764960 /nfs/dbraw/zinc/76/49/60/830764960.db2.gz IVDXCPJHMWDBHL-NWDGAFQWSA-N 1 0 315.377 -0.104 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@@H]1C ZINC001133300982 830764993 /nfs/dbraw/zinc/76/49/93/830764993.db2.gz BPLGFWYCKUWJAC-QWHCGFSZSA-N 1 0 305.378 -0.157 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133301895 830765321 /nfs/dbraw/zinc/76/53/21/830765321.db2.gz MFWDCIROUGUEHP-KBPBESRZSA-N 1 0 324.425 -0.231 20 30 DBEDRO CCCOc1cccnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133297222 830765337 /nfs/dbraw/zinc/76/53/37/830765337.db2.gz KDIQEMCZSHGOQT-UHFFFAOYSA-N 1 0 319.365 -0.170 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C ZINC001133306791 830765530 /nfs/dbraw/zinc/76/55/30/830765530.db2.gz QHHBSEOCNCVFEV-CHWSQXEVSA-N 1 0 320.393 -0.364 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133337451 830769391 /nfs/dbraw/zinc/76/93/91/830769391.db2.gz NSCYFHQRUZWAJO-CHWSQXEVSA-N 1 0 315.439 -0.367 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](OC)C(C)C ZINC001133342471 830769591 /nfs/dbraw/zinc/76/95/91/830769591.db2.gz JMKNNZRCSQCFKB-GFCCVEGCSA-N 1 0 314.386 -0.625 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1conc1CC ZINC001133489759 830780615 /nfs/dbraw/zinc/78/06/15/830780615.db2.gz XDGKXDBOWYRKGB-UHFFFAOYSA-N 1 0 323.353 -0.432 20 30 DBEDRO Cc1cnc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cn1 ZINC001133579067 830789044 /nfs/dbraw/zinc/78/90/44/830789044.db2.gz XTNFRKYDWDQDMG-WDEREUQCSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(OCC)c1 ZINC001133601287 830791410 /nfs/dbraw/zinc/79/14/10/830791410.db2.gz XKCLYIKXWWOPCD-UHFFFAOYSA-N 1 0 304.350 -0.451 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610512 830791777 /nfs/dbraw/zinc/79/17/77/830791777.db2.gz GQNDXCUHNVKIFO-WDEREUQCSA-N 1 0 321.381 -0.029 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610602 830791886 /nfs/dbraw/zinc/79/18/86/830791886.db2.gz HNECYIADUHKIPL-UWVGGRQHSA-N 1 0 320.353 -0.692 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610510 830792081 /nfs/dbraw/zinc/79/20/81/830792081.db2.gz GQNDXCUHNVKIFO-MNOVXSKESA-N 1 0 321.381 -0.029 20 30 DBEDRO COCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccc1F ZINC001133617885 830793908 /nfs/dbraw/zinc/79/39/08/830793908.db2.gz BARMEUCQONBOMQ-UHFFFAOYSA-N 1 0 322.340 -0.069 20 30 DBEDRO C=C(C)CC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133619522 830795126 /nfs/dbraw/zinc/79/51/26/830795126.db2.gz XEUOBNCGDPNKAN-UHFFFAOYSA-N 1 0 301.372 -0.657 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCC1=O ZINC001133633160 830799814 /nfs/dbraw/zinc/79/98/14/830799814.db2.gz OMMJIZGHOSGOGC-STQMWFEESA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O ZINC001133633159 830799879 /nfs/dbraw/zinc/79/98/79/830799879.db2.gz OMMJIZGHOSGOGC-QWHCGFSZSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001133637165 830800588 /nfs/dbraw/zinc/80/05/88/830800588.db2.gz UGLMIQFBZALQHB-CHWSQXEVSA-N 1 0 318.377 -0.444 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001133660099 830802750 /nfs/dbraw/zinc/80/27/50/830802750.db2.gz QGZYOWCIMMOIDX-NSHDSACASA-N 1 0 305.382 -0.162 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cc(C(N)=O)co2)C1=O ZINC001133711937 830814219 /nfs/dbraw/zinc/81/42/19/830814219.db2.gz CHDRDRWESIGTNN-NSHDSACASA-N 1 0 320.349 -0.515 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CSCC#N ZINC001133736216 830814665 /nfs/dbraw/zinc/81/46/65/830814665.db2.gz LWUZZENUXLTISJ-VXGBXAGGSA-N 1 0 310.423 -0.135 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133741414 830814697 /nfs/dbraw/zinc/81/46/97/830814697.db2.gz NPPBSARFLJTXJX-NWDGAFQWSA-N 1 0 310.398 -0.913 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CSCC#N ZINC001133735663 830815076 /nfs/dbraw/zinc/81/50/76/830815076.db2.gz GBSDBOKWFVHFJP-VHSXEESVSA-N 1 0 311.415 -0.160 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CSCC#N ZINC001133736215 830815422 /nfs/dbraw/zinc/81/54/22/830815422.db2.gz LWUZZENUXLTISJ-RYUDHWBXSA-N 1 0 310.423 -0.135 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cncn1 ZINC001133759318 830820317 /nfs/dbraw/zinc/82/03/17/830820317.db2.gz ROKCJUGWDGEDKQ-NWDGAFQWSA-N 1 0 321.385 -0.819 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)s1 ZINC001133774340 830823624 /nfs/dbraw/zinc/82/36/24/830823624.db2.gz VXIOVMKPCGSJKO-NWDGAFQWSA-N 1 0 322.390 -0.142 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133790083 830825771 /nfs/dbraw/zinc/82/57/71/830825771.db2.gz NWFYLWNGNOGBOG-MNOVXSKESA-N 1 0 314.386 -0.483 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnns1 ZINC001133801641 830828281 /nfs/dbraw/zinc/82/82/81/830828281.db2.gz ARIMINVPADOERH-NXEZZACHSA-N 1 0 309.395 -0.226 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CC(OCC)C2 ZINC001133796478 830828393 /nfs/dbraw/zinc/82/83/93/830828393.db2.gz CBBPUMUZQMOUJR-MFOWVQHXSA-N 1 0 307.394 -0.353 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001133799408 830828528 /nfs/dbraw/zinc/82/85/28/830828528.db2.gz SVDJEYJLCUBUHY-IUCAKERBSA-N 1 0 310.383 -0.336 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001133812994 830830683 /nfs/dbraw/zinc/83/06/83/830830683.db2.gz KUJQSAYOXHIOJZ-UHFFFAOYSA-N 1 0 306.370 -0.898 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001133823434 830832433 /nfs/dbraw/zinc/83/24/33/830832433.db2.gz GGLIHGMNEHQMRN-UHFFFAOYSA-N 1 0 313.361 -0.288 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133834820 830834462 /nfs/dbraw/zinc/83/44/62/830834462.db2.gz CYTGDJCSQUCHLC-QWRGUYRKSA-N 1 0 319.427 -0.794 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CCC ZINC001133839417 830836709 /nfs/dbraw/zinc/83/67/09/830836709.db2.gz GKVPLADJRWFERK-CHWSQXEVSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccncc1Cl ZINC001133853271 830839365 /nfs/dbraw/zinc/83/93/65/830839365.db2.gz HOQUNUAWFXVYNB-UHFFFAOYSA-N 1 0 308.769 -0.267 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1ccnc(OC)c1 ZINC001133880160 830848365 /nfs/dbraw/zinc/84/83/65/830848365.db2.gz PDSSMXQCRIDGDH-UHFFFAOYSA-N 1 0 306.366 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC(=O)NCC ZINC001133904038 830851658 /nfs/dbraw/zinc/85/16/58/830851658.db2.gz BFZUWLBCLXVUQG-CHWSQXEVSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001133916285 830854851 /nfs/dbraw/zinc/85/48/51/830854851.db2.gz FWANKVHTIQIBCH-GHMZBOCLSA-N 1 0 305.382 -0.046 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133928823 830858319 /nfs/dbraw/zinc/85/83/19/830858319.db2.gz JNFCLFLZWQVZTQ-SDDRHHMPSA-N 1 0 310.398 -0.893 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1N ZINC001133953375 830864244 /nfs/dbraw/zinc/86/42/44/830864244.db2.gz IFAPMUXDTSZGCD-NXEZZACHSA-N 1 0 319.369 -0.815 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001133952852 830864855 /nfs/dbraw/zinc/86/48/55/830864855.db2.gz FMWRAWQGSOAGAR-MNOVXSKESA-N 1 0 320.397 -0.153 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 ZINC001133974551 830868771 /nfs/dbraw/zinc/86/87/71/830868771.db2.gz NHNKTEYDZFXXDI-GHMZBOCLSA-N 1 0 306.370 -0.535 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001133975449 830868920 /nfs/dbraw/zinc/86/89/20/830868920.db2.gz ZQOXQNJCVNNSGK-RYUDHWBXSA-N 1 0 305.382 -0.426 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001133975447 830868974 /nfs/dbraw/zinc/86/89/74/830868974.db2.gz ZQOXQNJCVNNSGK-NEPJUHHUSA-N 1 0 305.382 -0.426 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133988800 830869527 /nfs/dbraw/zinc/86/95/27/830869527.db2.gz HNHAJKJASSWVSM-UHFFFAOYSA-N 1 0 322.369 -0.642 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001133985130 830870079 /nfs/dbraw/zinc/87/00/79/830870079.db2.gz WMWHGPUFESTVFP-STQMWFEESA-N 1 0 324.425 -0.065 20 30 DBEDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)nnn1C ZINC001133993094 830870835 /nfs/dbraw/zinc/87/08/35/830870835.db2.gz CTMSIAAIMAVHCZ-UWVGGRQHSA-N 1 0 321.385 -0.750 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001134002223 830871515 /nfs/dbraw/zinc/87/15/15/830871515.db2.gz OQUCBUHPRGBDTH-UHFFFAOYSA-N 1 0 320.397 -0.341 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134007685 830872750 /nfs/dbraw/zinc/87/27/50/830872750.db2.gz HSVAPXHPUJCVDF-NSHDSACASA-N 1 0 314.349 -0.813 20 30 DBEDRO C[C@@H](OCc1ccncc1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134024602 830879270 /nfs/dbraw/zinc/87/92/70/830879270.db2.gz DAYPBGRAZFTTIP-GFCCVEGCSA-N 1 0 319.365 -0.668 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134036554 830880868 /nfs/dbraw/zinc/88/08/68/830880868.db2.gz CIUQCUUQKNFWRH-UHFFFAOYSA-N 1 0 320.397 -0.356 20 30 DBEDRO Cc1cc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001134055632 830883667 /nfs/dbraw/zinc/88/36/67/830883667.db2.gz KRVRNMUOMXHQFK-QWRGUYRKSA-N 1 0 320.397 -0.227 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134061818 830885113 /nfs/dbraw/zinc/88/51/13/830885113.db2.gz FTXCEIREKZFBJT-OLZOCXBDSA-N 1 0 311.382 -0.858 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc[nH]c(=O)c1 ZINC001134073455 830885256 /nfs/dbraw/zinc/88/52/56/830885256.db2.gz RTQKWDCFBYPYON-WDEREUQCSA-N 1 0 319.365 -0.087 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134061893 830885595 /nfs/dbraw/zinc/88/55/95/830885595.db2.gz IOFMXBTXNYXPOJ-MCIONIFRSA-N 1 0 308.382 -0.459 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)ncn1 ZINC001134095732 830887066 /nfs/dbraw/zinc/88/70/66/830887066.db2.gz XWGKUEIJQYONJN-PWSUYJOCSA-N 1 0 318.381 -0.089 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134128058 830895216 /nfs/dbraw/zinc/89/52/16/830895216.db2.gz UUSSXJVDXVJAQY-CABCVRRESA-N 1 0 311.426 -0.159 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001134130205 830895983 /nfs/dbraw/zinc/89/59/83/830895983.db2.gz DSRPBMJRKQYNHQ-VXGBXAGGSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001134131385 830896084 /nfs/dbraw/zinc/89/60/84/830896084.db2.gz VMSLIJONZACIGA-STQMWFEESA-N 1 0 324.425 -0.477 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001134130803 830896313 /nfs/dbraw/zinc/89/63/13/830896313.db2.gz MQTVCAXJKHBVQE-KGLIPLIRSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cncn1C ZINC001134130915 830896335 /nfs/dbraw/zinc/89/63/35/830896335.db2.gz OFEICPRTBVLAHY-OLZOCXBDSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134130423 830896902 /nfs/dbraw/zinc/89/69/02/830896902.db2.gz HMDSRQKUPLXAKB-NWDGAFQWSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001134143869 830900721 /nfs/dbraw/zinc/90/07/21/830900721.db2.gz TVJSIHXVYAROLK-VXGBXAGGSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NCC ZINC001134143866 830900870 /nfs/dbraw/zinc/90/08/70/830900870.db2.gz TVJSIHXVYAROLK-NEPJUHHUSA-N 1 0 310.398 -0.865 20 30 DBEDRO COc1cccc(OCC(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001134145065 830900874 /nfs/dbraw/zinc/90/08/74/830900874.db2.gz OYCPRYAAYDXKSH-UHFFFAOYSA-N 1 0 320.349 -0.580 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1=CCOCC1 ZINC001134159720 830901944 /nfs/dbraw/zinc/90/19/44/830901944.db2.gz DBDFRPSTBPSWED-VXGBXAGGSA-N 1 0 308.382 -0.154 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134152447 830902199 /nfs/dbraw/zinc/90/21/99/830902199.db2.gz OKVKJNPOPXDTLP-GHMZBOCLSA-N 1 0 320.397 -0.762 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ncccc1O ZINC001134189125 830905963 /nfs/dbraw/zinc/90/59/63/830905963.db2.gz JMYVUZLXAQUCCC-GHMZBOCLSA-N 1 0 319.365 -0.087 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cnn1 ZINC001134206380 830907932 /nfs/dbraw/zinc/90/79/32/830907932.db2.gz TUHJFEXQLWRCAZ-WDEREUQCSA-N 1 0 318.381 -0.089 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cnn1 ZINC001134206379 830908263 /nfs/dbraw/zinc/90/82/63/830908263.db2.gz TUHJFEXQLWRCAZ-QWRGUYRKSA-N 1 0 318.381 -0.089 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc(=O)n(C)o1 ZINC001134219568 830910153 /nfs/dbraw/zinc/91/01/53/830910153.db2.gz OUWQVAALSLSQCL-VHSXEESVSA-N 1 0 323.353 -0.895 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccnn1C ZINC001134223402 830911147 /nfs/dbraw/zinc/91/11/47/830911147.db2.gz FVTHOKGCTYEFGD-RYUDHWBXSA-N 1 0 320.397 -0.525 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccnn1C ZINC001134223401 830911473 /nfs/dbraw/zinc/91/14/73/830911473.db2.gz FVTHOKGCTYEFGD-NWDGAFQWSA-N 1 0 320.397 -0.525 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240619 830913803 /nfs/dbraw/zinc/91/38/03/830913803.db2.gz TWICVRYAEBWWMN-VXGBXAGGSA-N 1 0 324.425 -0.360 20 30 DBEDRO Cc1nnc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)o1 ZINC001134269072 830916019 /nfs/dbraw/zinc/91/60/19/830916019.db2.gz CYFSBRSRNQVIQY-VHSXEESVSA-N 1 0 322.369 -0.567 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)nn1CC ZINC001134267121 830916086 /nfs/dbraw/zinc/91/60/86/830916086.db2.gz CMMOQFBKBZMOGN-GFCCVEGCSA-N 1 0 305.382 -0.331 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291854 830919652 /nfs/dbraw/zinc/91/96/52/830919652.db2.gz JNAWDAIZGXMPJL-JTQLQIEISA-N 1 0 320.353 -0.804 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001134298821 830919678 /nfs/dbraw/zinc/91/96/78/830919678.db2.gz MPAMSVUIJZCKLI-QWRGUYRKSA-N 1 0 308.386 -0.396 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134319241 830921763 /nfs/dbraw/zinc/92/17/63/830921763.db2.gz YJVJCXFDEYFTCP-MNOVXSKESA-N 1 0 308.382 -0.272 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134344935 830923732 /nfs/dbraw/zinc/92/37/32/830923732.db2.gz NMEQBWXHMBATRR-NEPJUHHUSA-N 1 0 310.398 -0.026 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001134350986 830924834 /nfs/dbraw/zinc/92/48/34/830924834.db2.gz AGJNGWVEEFOPKZ-STQMWFEESA-N 1 0 318.439 -0.056 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352084 830925549 /nfs/dbraw/zinc/92/55/49/830925549.db2.gz MXGKZDFWBOSICT-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO C[C@@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001134352756 830925729 /nfs/dbraw/zinc/92/57/29/830925729.db2.gz NQUOMKYULWKAJR-LLVKDONJSA-N 1 0 324.406 -0.298 20 30 DBEDRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134354049 830927478 /nfs/dbraw/zinc/92/74/78/830927478.db2.gz ZMAGZHCQTKXBQD-NSHDSACASA-N 1 0 324.406 -0.298 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401782 830934246 /nfs/dbraw/zinc/93/42/46/830934246.db2.gz WNEKYCLMWDNBAP-WDEREUQCSA-N 1 0 308.386 -0.174 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426932 830936182 /nfs/dbraw/zinc/93/61/82/830936182.db2.gz IFVNIBVNLVTRQO-NWDGAFQWSA-N 1 0 316.423 -0.446 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001134459392 830937752 /nfs/dbraw/zinc/93/77/52/830937752.db2.gz YHNXJEJVNOOKRZ-UHFFFAOYSA-N 1 0 316.321 -0.772 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)s1 ZINC001134460796 830937840 /nfs/dbraw/zinc/93/78/40/830937840.db2.gz JZCJJRMOGKNJAT-JTQLQIEISA-N 1 0 321.362 -0.576 20 30 DBEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460720 830938073 /nfs/dbraw/zinc/93/80/73/830938073.db2.gz GOFWMUXGPMXRRJ-ZDUSSCGKSA-N 1 0 314.345 -0.658 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134503588 830942071 /nfs/dbraw/zinc/94/20/71/830942071.db2.gz PXTRMYMAZCRHLM-QWHCGFSZSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134508313 830942788 /nfs/dbraw/zinc/94/27/88/830942788.db2.gz AIBJEJUMMNUPGL-RYUDHWBXSA-N 1 0 303.428 -0.178 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134505432 830942843 /nfs/dbraw/zinc/94/28/43/830942843.db2.gz QCTYVOUYUXBLQA-VXGBXAGGSA-N 1 0 303.428 -0.178 20 30 DBEDRO Cc1c(Cl)c(C(=O)NCC[NH2+]CC(=O)NCC#N)nn1C ZINC001134508048 830942958 /nfs/dbraw/zinc/94/29/58/830942958.db2.gz QVCIXCQLYGXQGJ-UHFFFAOYSA-N 1 0 312.761 -0.659 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541753 830948780 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C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncoc2C)[C@H]1C ZINC001178234187 833499149 /nfs/dbraw/zinc/49/91/49/833499149.db2.gz IZQNMWBPUOCVBV-JQWIXIFHSA-N 1 0 304.350 -0.075 20 30 DBEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001178262360 833499645 /nfs/dbraw/zinc/49/96/45/833499645.db2.gz JCDWZRZFWKIWJI-ZDUSSCGKSA-N 1 0 322.409 -0.719 20 30 DBEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC ZINC001178263001 833499807 /nfs/dbraw/zinc/49/98/07/833499807.db2.gz WPXKBLUUUJAFBR-CYBMUJFWSA-N 1 0 324.425 -0.473 20 30 DBEDRO CNC(=O)CC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178290254 833500432 /nfs/dbraw/zinc/50/04/32/833500432.db2.gz TYENCFMNFMGERX-UHFFFAOYSA-N 1 0 311.386 -0.972 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC(=O)NC ZINC001178290000 833500512 /nfs/dbraw/zinc/50/05/12/833500512.db2.gz JCBPJQVGLJVMGP-UHFFFAOYSA-N 1 0 310.398 -0.862 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC(=O)NCC)[C@H]1C ZINC001178336055 833501898 /nfs/dbraw/zinc/50/18/98/833501898.db2.gz 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COCC#CC[NH2+][C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C ZINC001178378871 833504716 /nfs/dbraw/zinc/50/47/16/833504716.db2.gz IMWMCXTXIMAPMK-RYUDHWBXSA-N 1 0 303.366 -0.099 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCCCCNC(=O)c1ncn(C)n1 ZINC001178394948 833505126 /nfs/dbraw/zinc/50/51/26/833505126.db2.gz AZSRUSYPOSEQBW-UHFFFAOYSA-N 1 0 322.413 -0.003 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC001178395203 833505480 /nfs/dbraw/zinc/50/54/80/833505480.db2.gz DEZZGJUPGILMCM-DYEKYZERSA-N 1 0 318.377 -0.066 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178413877 833506908 /nfs/dbraw/zinc/50/69/08/833506908.db2.gz ADOHVYUAEDGCDR-KKUMJFAQSA-N 1 0 309.410 -0.454 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H]1C ZINC001178488900 833508856 /nfs/dbraw/zinc/50/88/56/833508856.db2.gz LQFTUJXQEBWFQX-MELADBBJSA-N 1 0 324.425 -0.802 20 30 DBEDRO COCC#CC[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178490161 833509019 /nfs/dbraw/zinc/50/90/19/833509019.db2.gz HSHXQKMLOMFNGB-UHFFFAOYSA-N 1 0 308.386 -0.411 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001178508605 833509458 /nfs/dbraw/zinc/50/94/58/833509458.db2.gz LJYSBQCTVZWWBY-KBPBESRZSA-N 1 0 317.393 -0.398 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(OC)no2)[C@H]1C ZINC001178508800 833509491 /nfs/dbraw/zinc/50/94/91/833509491.db2.gz WFWKSPABCSVKBR-QWRGUYRKSA-N 1 0 320.349 -0.375 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCCC)[C@@H]1C ZINC001178508392 833509595 /nfs/dbraw/zinc/50/95/95/833509595.db2.gz BNGABEMLFQBYAE-STQMWFEESA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC=C)[C@@H]1C ZINC001178508735 833509694 /nfs/dbraw/zinc/50/96/94/833509694.db2.gz RDTMLZNSHACYAJ-STQMWFEESA-N 1 0 320.393 -0.993 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001178555356 833513818 /nfs/dbraw/zinc/51/38/18/833513818.db2.gz LJFTYBRCVVXSOG-FZMZJTMJSA-N 1 0 322.409 -0.654 20 30 DBEDRO Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)cnn1 ZINC001178555429 833513845 /nfs/dbraw/zinc/51/38/45/833513845.db2.gz NRIDODWXIUJYLL-AAEUAGOBSA-N 1 0 316.365 -0.383 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1C ZINC001178560126 833514337 /nfs/dbraw/zinc/51/43/37/833514337.db2.gz XTSFNBWCKWQWDW-JSGCOSHPSA-N 1 0 315.377 -0.653 20 30 DBEDRO Cc1ccnc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)n1 ZINC001178577263 833514803 /nfs/dbraw/zinc/51/48/03/833514803.db2.gz VGGJWIQXPUSUDZ-RYUDHWBXSA-N 1 0 316.365 -0.383 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@](C)(O)C=C)[C@H]1C ZINC001178572575 833514823 /nfs/dbraw/zinc/51/48/23/833514823.db2.gz LVUJYXWWVBPALY-XEZPLFJOSA-N 1 0 307.394 -0.358 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC001178591066 833515953 /nfs/dbraw/zinc/51/59/53/833515953.db2.gz DBYQDXUQRGQVPF-AVGNSLFASA-N 1 0 309.410 -0.136 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC001178610838 833516393 /nfs/dbraw/zinc/51/63/93/833516393.db2.gz AHFVFQPUHKKXNC-SRVKXCTJSA-N 1 0 320.397 -0.302 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178595070 833516558 /nfs/dbraw/zinc/51/65/58/833516558.db2.gz NTJQMFUQPRKMFV-WOPDTQHZSA-N 1 0 318.381 -0.854 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC001178611544 833516835 /nfs/dbraw/zinc/51/68/35/833516835.db2.gz KYFIKLMDBKIOAS-WOPDTQHZSA-N 1 0 318.381 -0.854 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001178682251 833519853 /nfs/dbraw/zinc/51/98/53/833519853.db2.gz ZRLFUGKLUUCINF-KBPBESRZSA-N 1 0 307.394 -0.162 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178678282 833519965 /nfs/dbraw/zinc/51/99/65/833519965.db2.gz FMEQQHOJCZLDEW-SRVKXCTJSA-N 1 0 324.381 -0.941 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H]1C ZINC001178678366 833520011 /nfs/dbraw/zinc/52/00/11/833520011.db2.gz HVSVRPNQONLUDA-OBJOEFQTSA-N 1 0 305.382 -0.068 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001178678792 833520136 /nfs/dbraw/zinc/52/01/36/833520136.db2.gz RTDXRNSFLAOYIM-SRVKXCTJSA-N 1 0 321.381 -0.774 20 30 DBEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C)C(=O)NC(N)=O ZINC001178671984 833520287 /nfs/dbraw/zinc/52/02/87/833520287.db2.gz UWFYZEHKTGQBEG-SCVCMEIPSA-N 1 0 306.366 -0.438 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@H]1C ZINC001178689657 833520870 /nfs/dbraw/zinc/52/08/70/833520870.db2.gz UWUPVXPCGHDEPZ-AGIUHOORSA-N 1 0 310.398 -0.338 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]1C ZINC001178753398 833522053 /nfs/dbraw/zinc/52/20/53/833522053.db2.gz MGNWLUMHNCBSFJ-AGIUHOORSA-N 1 0 315.439 -0.084 20 30 DBEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC001178736339 833522368 /nfs/dbraw/zinc/52/23/68/833522368.db2.gz VTRMTBPQSGLHES-RYUDHWBXSA-N 1 0 320.397 -0.078 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]1C ZINC001178753595 833522651 /nfs/dbraw/zinc/52/26/51/833522651.db2.gz PKGAMTCMSCLHOG-AVGNSLFASA-N 1 0 315.439 -0.084 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H]1C ZINC001178870910 833527947 /nfs/dbraw/zinc/52/79/47/833527947.db2.gz SYIJFIAUJGHMMS-IHRRRGAJSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnc(C)o2)[C@H]1C ZINC001178877697 833528322 /nfs/dbraw/zinc/52/83/22/833528322.db2.gz GCQKISQIPVWDAF-FZMZJTMJSA-N 1 0 318.377 -0.146 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H]1C ZINC001178940972 833529538 /nfs/dbraw/zinc/52/95/38/833529538.db2.gz RCKNBBHMTUJLJY-MJBXVCDLSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)c1cn[nH]n1 ZINC001178933072 833529867 /nfs/dbraw/zinc/52/98/67/833529867.db2.gz RECPWVMOEIPVPD-GFCCVEGCSA-N 1 0 320.397 -0.178 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)[C@H]1C ZINC001179005111 833533012 /nfs/dbraw/zinc/53/30/12/833533012.db2.gz APWNBYWORHBTIN-XQQFMLRXSA-N 1 0 316.423 -0.352 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC001179045693 833535251 /nfs/dbraw/zinc/53/52/51/833535251.db2.gz PKMVAEZZMSELNN-VWYCJHECSA-N 1 0 304.354 -0.865 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1C ZINC001179037367 833535416 /nfs/dbraw/zinc/53/54/16/833535416.db2.gz UWYWRYKQLQTYRO-IHRRRGAJSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001179087005 833535866 /nfs/dbraw/zinc/53/58/66/833535866.db2.gz KTZIJSDNIDXQFM-RYUDHWBXSA-N 1 0 304.350 -0.449 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2ccon2)[C@H]1C ZINC001179141941 833537711 /nfs/dbraw/zinc/53/77/11/833537711.db2.gz VFXBKQBORGXUEY-JSGCOSHPSA-N 1 0 318.377 -0.064 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)[C@H]1C ZINC001179150557 833537761 /nfs/dbraw/zinc/53/77/61/833537761.db2.gz UZLTUUFCKKHLDR-KBPBESRZSA-N 1 0 317.393 -0.480 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCNC1=O ZINC001179230424 833539761 /nfs/dbraw/zinc/53/97/61/833539761.db2.gz MBEBSZSEBNOLBV-ZDUSSCGKSA-N 1 0 324.425 -0.309 20 30 DBEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001179248640 833540665 /nfs/dbraw/zinc/54/06/65/833540665.db2.gz MCGLDFOZTABGGT-RYUDHWBXSA-N 1 0 318.443 -0.415 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC001179355254 833544192 /nfs/dbraw/zinc/54/41/92/833544192.db2.gz DSJAVKDCHLYXNF-CTTWBBHYSA-N 1 0 319.405 -0.404 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001179363934 833544270 /nfs/dbraw/zinc/54/42/70/833544270.db2.gz BPFODBRGOZORIZ-XQQFMLRXSA-N 1 0 322.409 -0.654 20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)CCCS(N)(=O)=O ZINC001179426335 833546121 /nfs/dbraw/zinc/54/61/21/833546121.db2.gz VIMIXQHXTKHDNK-UHFFFAOYSA-N 1 0 303.428 -0.046 20 30 DBEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452706 833547731 /nfs/dbraw/zinc/54/77/31/833547731.db2.gz WXJGYZURZLLQNI-AVGNSLFASA-N 1 0 324.425 -0.136 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)[C@H]1C ZINC001179467770 833548300 /nfs/dbraw/zinc/54/83/00/833548300.db2.gz PSDXZQLDHYAFEM-RYUDHWBXSA-N 1 0 306.366 -0.032 20 30 DBEDRO CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179573649 833551257 /nfs/dbraw/zinc/55/12/57/833551257.db2.gz GWYQUUJESLGPPH-UHTWSYAYSA-N 1 0 323.397 -0.880 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC001179598447 833552098 /nfs/dbraw/zinc/55/20/98/833552098.db2.gz HGPMEUBLCVWRGS-OBJOEFQTSA-N 1 0 315.377 -0.193 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613565 833552902 /nfs/dbraw/zinc/55/29/02/833552902.db2.gz XNZQVRZDQDHCJC-SRVKXCTJSA-N 1 0 301.412 -0.474 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC001179617721 833552957 /nfs/dbraw/zinc/55/29/57/833552957.db2.gz MTYNUAZKLXHSFH-OBJOEFQTSA-N 1 0 317.393 -0.331 20 30 DBEDRO C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179696366 833555412 /nfs/dbraw/zinc/55/54/12/833555412.db2.gz VXUZUPCGNNUZER-LBPRGKRZSA-N 1 0 308.382 -0.126 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179699438 833555600 /nfs/dbraw/zinc/55/56/00/833555600.db2.gz XBIPFXXSCAJULT-AGIUHOORSA-N 1 0 324.425 -0.266 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179699336 833555696 /nfs/dbraw/zinc/55/56/96/833555696.db2.gz SDUBTJMLUDEGHL-IHRRRGAJSA-N 1 0 307.394 -0.116 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179714916 833556300 /nfs/dbraw/zinc/55/63/00/833556300.db2.gz QRVYRSRTXOOXNJ-SRVKXCTJSA-N 1 0 320.397 -0.302 20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001179736114 833557234 /nfs/dbraw/zinc/55/72/34/833557234.db2.gz UXHLPFLZNZICTE-UHFFFAOYSA-N 1 0 322.365 -0.694 20 30 DBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cccnn1 ZINC001179775560 833558581 /nfs/dbraw/zinc/55/85/81/833558581.db2.gz SVGAAIYXWLXOSI-QWRGUYRKSA-N 1 0 302.338 -0.691 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)[C@H]1C ZINC001179822537 833559792 /nfs/dbraw/zinc/55/97/92/833559792.db2.gz ZFJKSVQDIXIGRQ-STQMWFEESA-N 1 0 315.439 -0.130 20 30 DBEDRO Cc1conc1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179861081 833561323 /nfs/dbraw/zinc/56/13/23/833561323.db2.gz KPLMDINAWPVGDO-QWRGUYRKSA-N 1 0 305.338 -0.185 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)c1ncccn1 ZINC001179872794 833561523 /nfs/dbraw/zinc/56/15/23/833561523.db2.gz RXYVQFGWTUBQSX-UHFFFAOYSA-N 1 0 318.381 -0.004 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC001179916503 833563853 /nfs/dbraw/zinc/56/38/53/833563853.db2.gz JCAOBEJBTIRICY-RYUDHWBXSA-N 1 0 306.366 -0.517 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC001180058851 833567944 /nfs/dbraw/zinc/56/79/44/833567944.db2.gz FPNMXZQRDJAMMT-RYUDHWBXSA-N 1 0 320.393 -0.081 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001180104267 833569863 /nfs/dbraw/zinc/56/98/63/833569863.db2.gz ZOAKBXTXFNPVKE-LBPRGKRZSA-N 1 0 323.397 -0.829 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C ZINC001180136276 833570582 /nfs/dbraw/zinc/57/05/82/833570582.db2.gz VKOZJDQZEXFHHJ-JSGCOSHPSA-N 1 0 317.393 -0.480 20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001180224334 833573608 /nfs/dbraw/zinc/57/36/08/833573608.db2.gz WELWBSPMGZKKLQ-GFCCVEGCSA-N 1 0 308.382 -0.126 20 30 DBEDRO C=CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180268416 833577847 /nfs/dbraw/zinc/57/78/47/833577847.db2.gz ANQUKDRYKNYIAB-XQQFMLRXSA-N 1 0 308.382 -0.204 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCO2)C[C@H]1C ZINC001180496384 833586818 /nfs/dbraw/zinc/58/68/18/833586818.db2.gz RGWIXWBTPAGBCB-JKIFEVAISA-N 1 0 321.421 -0.011 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(F)F)C1 ZINC001180562873 833591635 /nfs/dbraw/zinc/59/16/35/833591635.db2.gz IQJDTYWRAVTQJQ-MRVPVSSYSA-N 1 0 304.297 -0.546 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180729051 833599279 /nfs/dbraw/zinc/59/92/79/833599279.db2.gz KCZOSJNZFZGCGX-CQSZACIVSA-N 1 0 322.409 -0.486 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001180817969 833604600 /nfs/dbraw/zinc/60/46/00/833604600.db2.gz WOMNVCLHNRWXAO-VXGBXAGGSA-N 1 0 324.381 -0.632 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001180817968 833605045 /nfs/dbraw/zinc/60/50/45/833605045.db2.gz WOMNVCLHNRWXAO-NEPJUHHUSA-N 1 0 324.381 -0.632 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC001180838765 833605666 /nfs/dbraw/zinc/60/56/66/833605666.db2.gz LZFJBHDFLMKISF-NWDGAFQWSA-N 1 0 304.350 -0.075 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC001180921686 833610927 /nfs/dbraw/zinc/61/09/27/833610927.db2.gz SQLQONBHQLWUDA-GHMZBOCLSA-N 1 0 321.406 -0.211 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C ZINC001180960414 833612335 /nfs/dbraw/zinc/61/23/35/833612335.db2.gz MAPXEYKDIMPFPJ-BFQNTYOBSA-N 1 0 324.425 -0.373 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180959415 833612482 /nfs/dbraw/zinc/61/24/82/833612482.db2.gz WVHSQPLBVWOWPS-CHWSQXEVSA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC001181011854 833614901 /nfs/dbraw/zinc/61/49/01/833614901.db2.gz GGFCEWHCASSWES-CYBMUJFWSA-N 1 0 300.362 -0.056 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001181005793 833614917 /nfs/dbraw/zinc/61/49/17/833614917.db2.gz DIAPTGSFIPOQJZ-CHWSQXEVSA-N 1 0 320.397 -0.451 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001181074596 833615422 /nfs/dbraw/zinc/61/54/22/833615422.db2.gz BQLDUELAZQKRGS-GFCCVEGCSA-N 1 0 303.366 -0.474 20 30 DBEDRO CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001181107218 833616909 /nfs/dbraw/zinc/61/69/09/833616909.db2.gz STSIAQMPKRHYJE-SNVBAGLBSA-N 1 0 305.425 -0.522 20 30 DBEDRO N#CCSCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001181107447 833617005 /nfs/dbraw/zinc/61/70/05/833617005.db2.gz XTTMNFXICNVOMM-GFCCVEGCSA-N 1 0 310.423 -0.040 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)C1=O ZINC001181130853 833618199 /nfs/dbraw/zinc/61/81/99/833618199.db2.gz HZFSNXQKLQQPHP-KGLIPLIRSA-N 1 0 322.409 -0.558 20 30 DBEDRO Cc1ncsc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181153806 833620061 /nfs/dbraw/zinc/62/00/61/833620061.db2.gz IEWQRFFIVMJPKT-SNVBAGLBSA-N 1 0 307.379 -0.105 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181138912 833620633 /nfs/dbraw/zinc/62/06/33/833620633.db2.gz ZFHPKAPPEHDZSW-WCQYABFASA-N 1 0 310.398 -0.654 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001181250749 833623574 /nfs/dbraw/zinc/62/35/74/833623574.db2.gz HDWBLZGJZRQUSO-NXEZZACHSA-N 1 0 307.379 -0.520 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001181287749 833625028 /nfs/dbraw/zinc/62/50/28/833625028.db2.gz PXKFCCWUBGFOIP-VXGBXAGGSA-N 1 0 303.366 -0.340 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181412944 833630657 /nfs/dbraw/zinc/63/06/57/833630657.db2.gz RZMVGBQYKAKKON-VXGBXAGGSA-N 1 0 324.381 -0.775 20 30 DBEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181469950 833632945 /nfs/dbraw/zinc/63/29/45/833632945.db2.gz WUCDXIBLTHIDAB-WDEREUQCSA-N 1 0 312.370 -0.647 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181652959 833638968 /nfs/dbraw/zinc/63/89/68/833638968.db2.gz SESQNMSKKJHYMJ-GHMZBOCLSA-N 1 0 307.354 -0.652 20 30 DBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181660945 833639285 /nfs/dbraw/zinc/63/92/85/833639285.db2.gz CNLFIPSXFLSKNP-WDEREUQCSA-N 1 0 307.354 -0.722 20 30 DBEDRO CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181698930 833640854 /nfs/dbraw/zinc/64/08/54/833640854.db2.gz SETSVQQDTUVWKR-WDEREUQCSA-N 1 0 302.400 -0.724 20 30 DBEDRO Cc1cncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001181811430 833645435 /nfs/dbraw/zinc/64/54/35/833645435.db2.gz CRKHMEONKDLYFL-CYBMUJFWSA-N 1 0 301.350 -0.166 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001181801882 833645461 /nfs/dbraw/zinc/64/54/61/833645461.db2.gz VIRSQAPNKDKWEL-WCQYABFASA-N 1 0 303.366 -0.719 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC001181917065 833648717 /nfs/dbraw/zinc/64/87/17/833648717.db2.gz LWJIVZWARBWIJZ-CYBMUJFWSA-N 1 0 300.362 -0.056 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001182121977 833657957 /nfs/dbraw/zinc/65/79/57/833657957.db2.gz UJLDVBHEFPTTRB-GFCCVEGCSA-N 1 0 304.325 -0.226 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC(=O)NC)C1 ZINC001182121898 833658042 /nfs/dbraw/zinc/65/80/42/833658042.db2.gz QIGJBYAMMKRAKR-CHWSQXEVSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001182134802 833659227 /nfs/dbraw/zinc/65/92/27/833659227.db2.gz XYZOAYOOGNCHPP-CQSZACIVSA-N 1 0 300.362 -0.088 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001182156066 833661236 /nfs/dbraw/zinc/66/12/36/833661236.db2.gz BVXMAFIXZNJOMN-ZYHUDNBSSA-N 1 0 304.350 -0.075 20 30 DBEDRO CCn1nccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182164407 833662399 /nfs/dbraw/zinc/66/23/99/833662399.db2.gz WEZQHNMYPZEMDG-LLVKDONJSA-N 1 0 304.354 -0.653 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC001182188287 833663916 /nfs/dbraw/zinc/66/39/16/833663916.db2.gz RFGXHAFZBFQSDK-CYBMUJFWSA-N 1 0 303.366 -0.109 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC001182188218 833663951 /nfs/dbraw/zinc/66/39/51/833663951.db2.gz OLYLIXFPUWNARK-TZMCWYRMSA-N 1 0 315.377 -0.273 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001182203455 833665078 /nfs/dbraw/zinc/66/50/78/833665078.db2.gz AZNHIQIHTDXCSV-GXTWGEPZSA-N 1 0 315.377 -0.653 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC001182204902 833665301 /nfs/dbraw/zinc/66/53/01/833665301.db2.gz VMGAOGOTDMMPDA-LLVKDONJSA-N 1 0 304.354 -0.827 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC001182221104 833665817 /nfs/dbraw/zinc/66/58/17/833665817.db2.gz XFWQOZWXNOGZMG-CHWSQXEVSA-N 1 0 317.393 -0.329 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001182329899 833669136 /nfs/dbraw/zinc/66/91/36/833669136.db2.gz VYLAIXIFXNFVSX-NWDGAFQWSA-N 1 0 320.397 -0.207 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001182311758 833669218 /nfs/dbraw/zinc/66/92/18/833669218.db2.gz XRAQQXQAUMHKOK-LLVKDONJSA-N 1 0 306.370 -0.596 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnnn2CC)C1 ZINC001182336000 833669731 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C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001184693750 833767420 /nfs/dbraw/zinc/76/74/20/833767420.db2.gz UIEUCLTWAOUIJC-HUUCEWRRSA-N 1 0 320.437 -0.532 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001184723370 833767928 /nfs/dbraw/zinc/76/79/28/833767928.db2.gz IKMDLIPSFVMGJH-NEPJUHHUSA-N 1 0 318.381 -0.758 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001184711808 833768218 /nfs/dbraw/zinc/76/82/18/833768218.db2.gz GWCTYDXDMZCJDH-RYUDHWBXSA-N 1 0 320.397 -0.205 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nc(C)no2)C1 ZINC001184731714 833768697 /nfs/dbraw/zinc/76/86/97/833768697.db2.gz RYYNEHPLRHENOW-GFCCVEGCSA-N 1 0 321.381 -0.197 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001184792872 833770258 /nfs/dbraw/zinc/77/02/58/833770258.db2.gz XEKSXCHVDNSYNW-KGLIPLIRSA-N 1 0 307.394 -0.162 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC001184799672 833770988 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CCCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H](C)C#N ZINC001268439505 835693548 /nfs/dbraw/zinc/69/35/48/835693548.db2.gz PXRXDSIDFQBCBF-NSHDSACASA-N 1 0 311.386 -0.180 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)c1nnn(C)c1C ZINC001268443146 835693716 /nfs/dbraw/zinc/69/37/16/835693716.db2.gz LFEDCQOZUZQTKK-NSHDSACASA-N 1 0 320.397 -0.687 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)Cc1ncc[nH]1 ZINC001268486682 835707869 /nfs/dbraw/zinc/70/78/69/835707869.db2.gz IKGGZTAZDRRPMD-LBPRGKRZSA-N 1 0 305.382 -0.472 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001268534473 835720395 /nfs/dbraw/zinc/72/03/95/835720395.db2.gz CWTBAMNHMVBQNF-HEKLCECKSA-N 1 0 322.365 -0.856 20 30 DBEDRO Cc1ccnc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)n1 ZINC001268534479 835720865 /nfs/dbraw/zinc/72/08/65/835720865.db2.gz VAOYZHQTTOINIY-IHWYPQMZSA-N 1 0 302.338 -0.700 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC ZINC001268552485 835728583 /nfs/dbraw/zinc/72/85/83/835728583.db2.gz MXOCGMUNYVOIGT-GXMNPTEKSA-N 1 0 306.410 -0.518 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1c(C)ncn1C ZINC001268552383 835728989 /nfs/dbraw/zinc/72/89/89/835728989.db2.gz OLYIMOGLMFXUDS-WAYWQWQTSA-N 1 0 305.382 -0.094 20 30 DBEDRO Cn1ncc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)c1Cl ZINC001268555660 835730049 /nfs/dbraw/zinc/73/00/49/835730049.db2.gz KTRIUYIEVFKURF-NSCUHMNNSA-N 1 0 324.772 -0.411 20 30 DBEDRO CCc1nn(C)cc1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001268556384 835730261 /nfs/dbraw/zinc/73/02/61/835730261.db2.gz WUFSTLPJRCTYHD-PLNGDYQASA-N 1 0 318.381 -0.502 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)c1cnco1 ZINC001268572585 835735190 /nfs/dbraw/zinc/73/51/90/835735190.db2.gz AKCMQGRLTMECQH-ONEGZZNKSA-N 1 0 321.337 -0.438 20 30 DBEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001268574464 835739590 /nfs/dbraw/zinc/73/95/90/835739590.db2.gz NEOYZYVCVKOGCX-PCAWENJQSA-N 1 0 301.337 -0.153 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001268589688 835746613 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CCS(=O)(=O)CC(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001268630532 835760850 /nfs/dbraw/zinc/76/08/50/835760850.db2.gz MFLDBSCNRHHROW-PLNGDYQASA-N 1 0 302.396 -0.667 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc2cnn(C)c2)C1=O ZINC001268641666 835762486 /nfs/dbraw/zinc/76/24/86/835762486.db2.gz ZTBBGMWLTZQKPT-TZMCWYRMSA-N 1 0 319.409 -0.156 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001268648648 835765478 /nfs/dbraw/zinc/76/54/78/835765478.db2.gz QJIFRUMFSTZIIT-OCCSQVGLSA-N 1 0 304.398 -0.493 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cc2c[nH]ccc-2n1 ZINC001268651182 835766068 /nfs/dbraw/zinc/76/60/68/835766068.db2.gz NPHGUEZOUFUKHV-SNVBAGLBSA-N 1 0 314.349 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ncc2ccccn21 ZINC001268653288 835767775 /nfs/dbraw/zinc/76/77/75/835767775.db2.gz LDLUMVAVRIYFDM-GFCCVEGCSA-N 1 0 313.361 -0.208 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(C)c1CC ZINC001268652081 835767941 /nfs/dbraw/zinc/76/79/41/835767941.db2.gz 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C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2CN(C(C)=O)C2)C1=O ZINC001268683877 835776737 /nfs/dbraw/zinc/77/67/37/835776737.db2.gz DZONYWYJTLUOHP-SMDDNHRTSA-N 1 0 322.409 -0.654 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001268690039 835778421 /nfs/dbraw/zinc/77/84/21/835778421.db2.gz KSUDOKFLSYYNMV-CMPLNLGQSA-N 1 0 319.365 -0.323 20 30 DBEDRO CCc1nnsc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268692547 835780284 /nfs/dbraw/zinc/78/02/84/835780284.db2.gz JLWGZIXUIYTYQW-QMMMGPOBSA-N 1 0 310.383 -0.552 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cccc2c[nH]nc21 ZINC001268697517 835781159 /nfs/dbraw/zinc/78/11/59/835781159.db2.gz BISGVANTZKSOHS-JTQLQIEISA-N 1 0 314.349 -0.089 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnn2cccnc12 ZINC001268697883 835781866 /nfs/dbraw/zinc/78/18/66/835781866.db2.gz IQHCAGPTBYVWIS-JTQLQIEISA-N 1 0 315.337 -0.923 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001268710049 835786449 /nfs/dbraw/zinc/78/64/49/835786449.db2.gz AVYUYZGATDCZDT-STQMWFEESA-N 1 0 319.409 -0.322 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001268716707 835787337 /nfs/dbraw/zinc/78/73/37/835787337.db2.gz ITUONVXYQPJWEX-JTQLQIEISA-N 1 0 319.365 -0.809 20 30 DBEDRO C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268746886 835795362 /nfs/dbraw/zinc/79/53/62/835795362.db2.gz OGPFGQBYAFQRLQ-STQMWFEESA-N 1 0 309.414 -0.596 20 30 DBEDRO C[C@H](CN(C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268746883 835795919 /nfs/dbraw/zinc/79/59/19/835795919.db2.gz OGPFGQBYAFQRLQ-CHWSQXEVSA-N 1 0 309.414 -0.596 20 30 DBEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268759092 835802190 /nfs/dbraw/zinc/80/21/90/835802190.db2.gz IKFZTDBTRHGNHD-LLVKDONJSA-N 1 0 308.386 -0.220 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1 ZINC001268775286 835803677 /nfs/dbraw/zinc/80/36/77/835803677.db2.gz LNRJFQSEVVRVCH-NWDGAFQWSA-N 1 0 318.381 -0.568 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001268775548 835804102 /nfs/dbraw/zinc/80/41/02/835804102.db2.gz MDLSKGWRNRDRAG-CHWSQXEVSA-N 1 0 320.393 -0.222 20 30 DBEDRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C)C#N ZINC001268782655 835806213 /nfs/dbraw/zinc/80/62/13/835806213.db2.gz ASHRRMQDMDHVDJ-MNOVXSKESA-N 1 0 311.386 -0.182 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1cn(C)nn1 ZINC001268791956 835808455 /nfs/dbraw/zinc/80/84/55/835808455.db2.gz NUVJDOQAVIFUNY-NSHDSACASA-N 1 0 308.386 -0.443 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001268817191 835815985 /nfs/dbraw/zinc/81/59/85/835815985.db2.gz DHAOYIHMCAKONN-INIZCTEOSA-N 1 0 322.409 -0.910 20 30 DBEDRO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001268829161 835819019 /nfs/dbraw/zinc/81/90/19/835819019.db2.gz ZCTXAUBWURQJON-UONOGXRCSA-N 1 0 321.425 -0.596 20 30 DBEDRO C#CCNC(=O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001268833249 835820670 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ZINC001356489098 980952107 /nfs/dbraw/zinc/95/21/07/980952107.db2.gz CXMILSINFAFFOO-RKDXNWHRSA-N 1 0 307.379 -0.160 20 30 DBEDRO C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001489167594 1014695560 /nfs/dbraw/zinc/69/55/60/1014695560.db2.gz JMGPEZFGLLSDAD-MJBXVCDLSA-N 1 0 309.410 -0.031 20 30 DBEDRO C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001489163741 1014696246 /nfs/dbraw/zinc/69/62/46/1014696246.db2.gz YIDHEDYNAJMHQT-CQSZACIVSA-N 1 0 324.425 -0.127 20 30 DBEDRO C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001489164211 1014696262 /nfs/dbraw/zinc/69/62/62/1014696262.db2.gz QOQNNIIZGGZGTB-ZIAGYGMSSA-N 1 0 309.410 -0.194 20 30 DBEDRO C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001489167592 1014696768 /nfs/dbraw/zinc/69/67/68/1014696768.db2.gz JMGPEZFGLLSDAD-MCIONIFRSA-N 1 0 309.410 -0.031 20 30 DBEDRO C#CCOCCC(=O)NC[C@H](CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001356887138 981008393 /nfs/dbraw/zinc/00/83/93/981008393.db2.gz HSOIKRAYPICIND-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO C=CCN(C(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001357203600 981041170 /nfs/dbraw/zinc/04/11/70/981041170.db2.gz BZYYHQOSQZRVAQ-VXGBXAGGSA-N 1 0 301.412 -0.908 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC/C=C/CNC(=O)C#CC1CC1 ZINC001357810069 981094907 /nfs/dbraw/zinc/09/49/07/981094907.db2.gz XISVDPVJHJQFMG-ONEGZZNKSA-N 1 0 307.394 -0.233 20 30 DBEDRO C=CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001358101839 981112623 /nfs/dbraw/zinc/11/26/23/981112623.db2.gz AIIOEMDUMBJVTO-YPMHNXCESA-N 1 0 320.397 -0.207 20 30 DBEDRO C=CCn1cc(C(=O)NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001358171384 981116923 /nfs/dbraw/zinc/11/69/23/981116923.db2.gz WWAJXWDYFKULSU-NEPJUHHUSA-N 1 0 320.397 -0.350 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001358512295 981132863 /nfs/dbraw/zinc/13/28/63/981132863.db2.gz ZIHFMQWOQLEPBP-ZDUSSCGKSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001489214230 1014709107 /nfs/dbraw/zinc/70/91/07/1014709107.db2.gz PKMPPDFTISAJQJ-AWEZNQCLSA-N 1 0 309.410 -0.057 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001489224663 1014711014 /nfs/dbraw/zinc/71/10/14/1014711014.db2.gz JFCZYMBEJJJKKL-RYUDHWBXSA-N 1 0 323.397 -0.038 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N(C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001358730840 981179032 /nfs/dbraw/zinc/17/90/32/981179032.db2.gz SOBNNXWQUBXDPM-ZDUSSCGKSA-N 1 0 307.394 -0.210 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001358737470 981180110 /nfs/dbraw/zinc/18/01/10/981180110.db2.gz IWMNCEYQKZEXHO-HNNXBMFYSA-N 1 0 320.437 -0.295 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001530553489 1014735143 /nfs/dbraw/zinc/73/51/43/1014735143.db2.gz TZTDKYYBMZIXAW-CABCVRRESA-N 1 0 320.437 -0.249 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001530550861 1014735796 /nfs/dbraw/zinc/73/57/96/1014735796.db2.gz FCGXDWMYUMLYPW-CYBMUJFWSA-N 1 0 319.405 -0.020 20 30 DBEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C ZINC001489298004 1014744587 /nfs/dbraw/zinc/74/45/87/1014744587.db2.gz VDNRTGNZBGITBM-NEPJUHHUSA-N 1 0 306.366 -0.308 20 30 DBEDRO C#CCNC(=O)CN1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001489304990 1014746485 /nfs/dbraw/zinc/74/64/85/1014746485.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 1 0 308.426 -0.343 20 30 DBEDRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001489322156 1014755354 /nfs/dbraw/zinc/75/53/54/1014755354.db2.gz DWHVETRFODJDFH-CHWSQXEVSA-N 1 0 319.365 -0.860 20 30 DBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001530618437 1014757325 /nfs/dbraw/zinc/75/73/25/1014757325.db2.gz QONOOZWTQPGSRZ-VXGBXAGGSA-N 1 0 308.382 -0.559 20 30 DBEDRO C#CCCCCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001489581480 1014819616 /nfs/dbraw/zinc/81/96/16/1014819616.db2.gz DZOYBAPBNUQJSC-CABCVRRESA-N 1 0 321.421 -0.036 20 30 DBEDRO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001489610176 1014824094 /nfs/dbraw/zinc/82/40/94/1014824094.db2.gz WICIGFHRHUFPRB-AGIUHOORSA-N 1 0 309.410 -0.019 20 30 DBEDRO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC001489610177 1014824404 /nfs/dbraw/zinc/82/44/04/1014824404.db2.gz WICIGFHRHUFPRB-UPJWGTAASA-N 1 0 309.410 -0.019 20 30 DBEDRO N#Cc1cccc(OCC[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 ZINC001363302604 982326500 /nfs/dbraw/zinc/32/65/00/982326500.db2.gz JNTNKGBJMYONGY-CHWSQXEVSA-N 1 0 302.334 -0.544 20 30 DBEDRO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001489620758 1014827381 /nfs/dbraw/zinc/82/73/81/1014827381.db2.gz XPSMDWQQCTVXMP-UHTWSYAYSA-N 1 0 308.382 -0.682 20 30 DBEDRO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[NH+](C)C ZINC001489628478 1014828354 /nfs/dbraw/zinc/82/83/54/1014828354.db2.gz GOPJADNCRSHIAK-RDBSUJKOSA-N 1 0 307.394 -0.572 20 30 DBEDRO N#CC1(C[C@@H](O)C[NH2+]C2(C(N)=O)CCOCC2)CCOCC1 ZINC001363805164 982646054 /nfs/dbraw/zinc/64/60/54/982646054.db2.gz RMMYGOXATPJXEH-GFCCVEGCSA-N 1 0 311.382 -0.318 20 30 DBEDRO C[C@H](C#N)C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001490165233 1014875246 /nfs/dbraw/zinc/87/52/46/1014875246.db2.gz RKDBOTRRIJDPAZ-GHMZBOCLSA-N 1 0 323.397 -0.039 20 30 DBEDRO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC001490165236 1014876082 /nfs/dbraw/zinc/87/60/82/1014876082.db2.gz RKDBOTRRIJDPAZ-WDEREUQCSA-N 1 0 323.397 -0.039 20 30 DBEDRO C[NH+](C)CC[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC001364017372 982786891 /nfs/dbraw/zinc/78/68/91/982786891.db2.gz ALKOJDQFVDRDEA-CHWSQXEVSA-N 1 0 316.427 -0.271 20 30 DBEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001364076543 982818991 /nfs/dbraw/zinc/81/89/91/982818991.db2.gz UIHNJMIWRKQUFD-LLVKDONJSA-N 1 0 316.427 -0.082 20 30 DBEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001364076603 982819719 /nfs/dbraw/zinc/81/97/19/982819719.db2.gz UIHNJMIWRKQUFD-NSHDSACASA-N 1 0 316.427 -0.082 20 30 DBEDRO C[C@H](C(=O)N1CC([NH2+]C2CCOCC2)C1)n1cnc(C#N)n1 ZINC001364088229 982824291 /nfs/dbraw/zinc/82/42/91/982824291.db2.gz JEHYEKAKCSSOFY-SNVBAGLBSA-N 1 0 304.354 -0.310 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H]1CCNC1=O ZINC001490205572 1014892851 /nfs/dbraw/zinc/89/28/51/1014892851.db2.gz LJQBKOUQLPLFHP-OLZOCXBDSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCC[N@@H+](C)CCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001490204540 1014892886 /nfs/dbraw/zinc/89/28/86/1014892886.db2.gz LXTHOPWABUXWKS-UHFFFAOYSA-N 1 0 306.366 -0.992 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)c1cnc[nH]c1=O ZINC001490213544 1014894320 /nfs/dbraw/zinc/89/43/20/1014894320.db2.gz QKCNZTBWMSCTFV-LLVKDONJSA-N 1 0 319.365 -0.628 20 30 DBEDRO N#Cc1ccc([C@H](O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001364470605 983010532 /nfs/dbraw/zinc/01/05/32/983010532.db2.gz XLGIELDCPMEITI-RWMBFGLXSA-N 1 0 302.334 -0.890 20 30 DBEDRO COC[C@](C)(CO)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC001364486208 983017849 /nfs/dbraw/zinc/01/78/49/983017849.db2.gz NHAMDMKRWDUSJV-ZDUSSCGKSA-N 1 0 313.379 -0.286 20 30 DBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC001364486433 983019030 /nfs/dbraw/zinc/01/90/30/983019030.db2.gz VINDJICWOAVSHM-LBPRGKRZSA-N 1 0 316.427 -0.108 20 30 DBEDRO N#CC1(C[C@H](O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)CCC1 ZINC001364528171 983039396 /nfs/dbraw/zinc/03/93/96/983039396.db2.gz GLCKIZOPNCGCTE-HOCLYGCPSA-N 1 0 309.410 -0.190 20 30 DBEDRO C[N@H+](C[C@H](O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CC1 ZINC001364550367 983049189 /nfs/dbraw/zinc/04/91/89/983049189.db2.gz PVJPXXAINRCCDC-FPMFFAJLSA-N 1 0 313.423 -0.688 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)c1cn(C)nn1 ZINC001490323438 1014924893 /nfs/dbraw/zinc/92/48/93/1014924893.db2.gz QEHIBGFGSNNYSP-GFCCVEGCSA-N 1 0 320.397 -0.605 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)c1ccn[nH]1 ZINC001490319524 1014926100 /nfs/dbraw/zinc/92/61/00/1014926100.db2.gz VIWCHDIZCAJYNI-GFCCVEGCSA-N 1 0 305.382 -0.011 20 30 DBEDRO C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001490307812 1014926725 /nfs/dbraw/zinc/92/67/25/1014926725.db2.gz APXICYVBIMWTHR-YPMHNXCESA-N 1 0 318.381 -0.631 20 30 DBEDRO CC#CC[N@H+](CC)CCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001490350003 1014936124 /nfs/dbraw/zinc/93/61/24/1014936124.db2.gz MPVRTZUXTYXULN-UHFFFAOYSA-N 1 0 320.393 -0.451 20 30 DBEDRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC001365323833 983338920 /nfs/dbraw/zinc/33/89/20/983338920.db2.gz JHESUWLIVYZVSO-CJNGLKHVSA-N 1 0 320.345 -0.092 20 30 DBEDRO N#CCNC(=O)C[N@H+](CCCNC(=O)c1nnc[nH]1)C1CC1 ZINC001490389374 1014949542 /nfs/dbraw/zinc/94/95/42/1014949542.db2.gz FUCCEPCVIIRGGL-UHFFFAOYSA-N 1 0 305.342 -0.971 20 30 DBEDRO C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490411213 1014954296 /nfs/dbraw/zinc/95/42/96/1014954296.db2.gz PZBJRXGGTWTBQO-OAHLLOKOSA-N 1 0 322.453 -0.001 20 30 DBEDRO 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1011104985 /nfs/dbraw/zinc/10/49/85/1011104985.db2.gz AVJXVLAIBCBJFE-PNESKVBLSA-N 1 0 310.398 -0.122 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1nccc(C)n1 ZINC001482277414 1011105073 /nfs/dbraw/zinc/10/50/73/1011105073.db2.gz INUGRVKSWNENEZ-OLZOCXBDSA-N 1 0 317.393 -0.027 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1nccc(C)n1 ZINC001482277786 1011105201 /nfs/dbraw/zinc/10/52/01/1011105201.db2.gz NQTPRUPRTPZUDJ-LBPRGKRZSA-N 1 0 303.366 -0.415 20 30 DBEDRO C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001482277457 1011106018 /nfs/dbraw/zinc/10/60/18/1011106018.db2.gz JAZAJHZFAABFNR-ZDUSSCGKSA-N 1 0 322.409 -0.815 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482285297 1011106387 /nfs/dbraw/zinc/10/63/87/1011106387.db2.gz VVCVXGQIEVLUFL-QWRGUYRKSA-N 1 0 309.370 -0.917 20 30 DBEDRO Cc1ncc(CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)o1 ZINC001482293751 1011110852 /nfs/dbraw/zinc/11/08/52/1011110852.db2.gz ZRECEFMVHUEUMQ-SNVBAGLBSA-N 1 0 307.354 -0.398 20 30 DBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001482316113 1011117336 /nfs/dbraw/zinc/11/73/36/1011117336.db2.gz HIXQOOMHZZCTLY-SNVBAGLBSA-N 1 0 316.369 -0.233 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(=O)n1C ZINC001482329282 1011120839 /nfs/dbraw/zinc/12/08/39/1011120839.db2.gz FKNUOHQKRKZFKI-GFCCVEGCSA-N 1 0 320.393 -0.262 20 30 DBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C1(n2cnnn2)CCOCC1 ZINC001482340659 1011122919 /nfs/dbraw/zinc/12/29/19/1011122919.db2.gz LIMMDTNKVZCUKF-LBPRGKRZSA-N 1 0 308.386 -0.199 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)NC(C)=O ZINC001482345326 1011124356 /nfs/dbraw/zinc/12/43/56/1011124356.db2.gz XYRQTKVMMCUMRL-LLVKDONJSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1ncc[nH]1 ZINC001482346631 1011125122 /nfs/dbraw/zinc/12/51/22/1011125122.db2.gz GBFRXKFZOYOXKD-NWDGAFQWSA-N 1 0 305.382 -0.473 20 30 DBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)S(=O)(=O)CC 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CC(C)[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)[NH2+]CC(=O)NCC#N ZINC001482525919 1011165405 /nfs/dbraw/zinc/16/54/05/1011165405.db2.gz QNLYKLKESRXZOI-NWDGAFQWSA-N 1 0 324.381 -0.690 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1nccc(C)n1)C(C)C ZINC001482525406 1011165812 /nfs/dbraw/zinc/16/58/12/1011165812.db2.gz GZUPAMKYKVBBCL-CYBMUJFWSA-N 1 0 317.393 -0.122 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CCOC1)C(C)C ZINC001482521514 1011166108 /nfs/dbraw/zinc/16/61/08/1011166108.db2.gz YFMLDCUIZFLACN-KBPBESRZSA-N 1 0 309.410 -0.107 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1nccc(C)n1)C(C)C ZINC001482525407 1011166913 /nfs/dbraw/zinc/16/69/13/1011166913.db2.gz GZUPAMKYKVBBCL-ZDUSSCGKSA-N 1 0 317.393 -0.122 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C(C)C ZINC001482541237 1011171781 /nfs/dbraw/zinc/17/17/81/1011171781.db2.gz YKIGAAXXTSDRAK-STQMWFEESA-N 1 0 324.425 -0.455 20 30 DBEDRO COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C(C)C ZINC001482540023 1011172857 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DBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3)CC[C@@H]21 ZINC001482659481 1011255518 /nfs/dbraw/zinc/25/55/18/1011255518.db2.gz ZRTZUPBHWTVASS-OCCSQVGLSA-N 1 0 315.377 -0.305 20 30 DBEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21 ZINC001482661871 1011257277 /nfs/dbraw/zinc/25/72/77/1011257277.db2.gz LORPJERLUUOQAG-CHWSQXEVSA-N 1 0 315.377 -0.305 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cn(C)nn1 ZINC001482674691 1011261721 /nfs/dbraw/zinc/26/17/21/1011261721.db2.gz GWUWJKLRYMMVOB-NEPJUHHUSA-N 1 0 320.397 -0.395 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cnsn1 ZINC001482675004 1011261908 /nfs/dbraw/zinc/26/19/08/1011261908.db2.gz YWVLMPDSRUCVRQ-UWVGGRQHSA-N 1 0 322.394 -0.334 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)CC ZINC001482680331 1011264704 /nfs/dbraw/zinc/26/47/04/1011264704.db2.gz XTHLRYJKASPXQH-NWDGAFQWSA-N 1 0 303.428 -0.014 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001482679693 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DBEDRO CCc1n[nH]cc1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001497220024 1017313327 /nfs/dbraw/zinc/31/33/27/1017313327.db2.gz GXUFTHOHOJDLNV-SNVBAGLBSA-N 1 0 306.370 -0.290 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(F)c(C)c1 ZINC001482768716 1011416061 /nfs/dbraw/zinc/41/60/61/1011416061.db2.gz ZVSGJBLXAAXUNO-ZDUSSCGKSA-N 1 0 321.352 -0.436 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001482770910 1011418875 /nfs/dbraw/zinc/41/88/75/1011418875.db2.gz WWQPTFSTDQBXMA-AWEZNQCLSA-N 1 0 318.373 -0.048 20 30 DBEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2nnc[nH]2)s1 ZINC001482777557 1011434739 /nfs/dbraw/zinc/43/47/39/1011434739.db2.gz BZUPPOBBVABFAG-QMMMGPOBSA-N 1 0 306.351 -0.382 20 30 DBEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cnns2)nn1 ZINC001482778027 1011436063 /nfs/dbraw/zinc/43/60/63/1011436063.db2.gz YYVOAJYJAIOWCU-VIFPVBQESA-N 1 0 323.382 -0.804 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001482784167 1011452794 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C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001482798079 1011483541 /nfs/dbraw/zinc/48/35/41/1011483541.db2.gz FWGFRCMSGVCKEO-WCBMZHEXSA-N 1 0 312.819 -0.514 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001482800881 1011489276 /nfs/dbraw/zinc/48/92/76/1011489276.db2.gz YKHSYMQEHFNQPX-HOAMVYINSA-N 1 0 322.409 -0.481 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1cc(C)on1 ZINC001482818271 1011494029 /nfs/dbraw/zinc/49/40/29/1011494029.db2.gz MIHFBSISTVGJBS-NSHDSACASA-N 1 0 306.366 -0.241 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001482816537 1011494359 /nfs/dbraw/zinc/49/43/59/1011494359.db2.gz ZHFDSSZRYRNVPL-ZIAGYGMSSA-N 1 0 319.409 -0.186 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1nn(C)cc1C ZINC001482831182 1011501888 /nfs/dbraw/zinc/50/18/88/1011501888.db2.gz HYXOAPOSWNGXRG-CHWSQXEVSA-N 1 0 319.409 -0.036 20 30 DBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001482841725 1011506119 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C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001483009890 1011599438 /nfs/dbraw/zinc/59/94/38/1011599438.db2.gz IFYFMFOJNWWSAX-AAOUONPWSA-N 1 0 301.350 -0.342 20 30 DBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1c(F)cncc1F ZINC001483014824 1011604708 /nfs/dbraw/zinc/60/47/08/1011604708.db2.gz XUTFYPVKNUQWKN-OWOJBTEDSA-N 1 0 323.303 -0.125 20 30 DBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001483031869 1011623326 /nfs/dbraw/zinc/62/33/26/1011623326.db2.gz BVRBRYLFBRNNFC-BAABZTOOSA-N 1 0 307.394 -0.043 20 30 DBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)S(C)(=O)=O ZINC001483071513 1011660100 /nfs/dbraw/zinc/66/01/00/1011660100.db2.gz WFFNNUUJZIWBKH-WAYWQWQTSA-N 1 0 316.423 -0.279 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)c1cnn(C)n1 ZINC001483072994 1011662083 /nfs/dbraw/zinc/66/20/83/1011662083.db2.gz UBSVTXZROMXQIO-ISALQUGTSA-N 1 0 306.370 -0.619 20 30 DBEDRO C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001483095458 1011681683 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C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001497222297 1017314841 /nfs/dbraw/zinc/31/48/41/1017314841.db2.gz VONRRSQXTONLGD-NSHDSACASA-N 1 0 317.393 -0.254 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1coc(OC)n1 ZINC001497239483 1017318445 /nfs/dbraw/zinc/31/84/45/1017318445.db2.gz XXWKFUMNFPBYCD-GHMZBOCLSA-N 1 0 322.365 -0.081 20 30 DBEDRO C#Cc1cccc(NC(=O)C[NH2+]CC[C@H](C)NC(=O)C(N)=O)c1 ZINC001497258625 1017324222 /nfs/dbraw/zinc/32/42/22/1017324222.db2.gz AXGURURYLOBXOK-NSHDSACASA-N 1 0 316.361 -0.424 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497288600 1017332005 /nfs/dbraw/zinc/33/20/05/1017332005.db2.gz KOEOXDVDATXGTJ-NWDGAFQWSA-N 1 0 322.409 -0.865 20 30 DBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ccc(F)nc1 ZINC001497361857 1017353826 /nfs/dbraw/zinc/35/38/26/1017353826.db2.gz KFUDPMUKPCTWHI-UHFFFAOYSA-N 1 0 307.329 -0.088 20 30 DBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497465358 1017388885 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C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1nccc(C)n1 ZINC001497568775 1017426536 /nfs/dbraw/zinc/42/65/36/1017426536.db2.gz LNJXYCMNJIAISZ-GFUIURDCSA-N 1 0 315.377 -0.201 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)c2cn(C)nn2)C1=O ZINC001497575258 1017428429 /nfs/dbraw/zinc/42/84/29/1017428429.db2.gz HMMCAACUXZRGFJ-ZYOFXKKJSA-N 1 0 318.381 -0.522 20 30 DBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC1OCCCO1 ZINC001497572758 1017429606 /nfs/dbraw/zinc/42/96/06/1017429606.db2.gz MUOHBBIOARVXGF-OWOJBTEDSA-N 1 0 310.354 -0.959 20 30 DBEDRO CC(C)C#CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1 ZINC001497578204 1017429705 /nfs/dbraw/zinc/42/97/05/1017429705.db2.gz HYTWMYMYGKWELI-ARJAWSKDSA-N 1 0 307.394 -0.233 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cn2c(n1)CCC2 ZINC001497586035 1017432657 /nfs/dbraw/zinc/43/26/57/1017432657.db2.gz QGGKFIWTLKWZRY-ONEGZZNKSA-N 1 0 315.377 -0.546 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H](CC)O1 ZINC001497601830 1017441590 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C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Oc1cccnc1 ZINC001497906434 1017543861 /nfs/dbraw/zinc/54/38/61/1017543861.db2.gz KQZZMRWPEBPYMZ-OLZOCXBDSA-N 1 0 318.377 -0.307 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001497935278 1017549871 /nfs/dbraw/zinc/54/98/71/1017549871.db2.gz SFBQQRRPDBDGHF-CHWSQXEVSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1cnn(CC)c1 ZINC001497962512 1017558788 /nfs/dbraw/zinc/55/87/88/1017558788.db2.gz PYZYZHLCNCACGR-GFCCVEGCSA-N 1 0 305.382 -0.711 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccn(C)c1=O ZINC001497964077 1017558968 /nfs/dbraw/zinc/55/89/68/1017558968.db2.gz HGROUXCFZAQLOS-LLVKDONJSA-N 1 0 306.366 -0.605 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001497991315 1017566446 /nfs/dbraw/zinc/56/64/46/1017566446.db2.gz XXJRYBXKADRXSB-TZMCWYRMSA-N 1 0 319.409 -0.107 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cc(CC)n[nH]1 ZINC001498016320 1017577540 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20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001498070139 1017602930 /nfs/dbraw/zinc/60/29/30/1017602930.db2.gz ZXFWBKCGEWFHDE-GXTWGEPZSA-N 1 0 324.425 -0.359 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001498110368 1017623939 /nfs/dbraw/zinc/62/39/39/1017623939.db2.gz USCPCMHZKPFQRW-UWVGGRQHSA-N 1 0 309.370 -0.476 20 30 DBEDRO CCc1nc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)c(C)o1 ZINC001498133670 1017636695 /nfs/dbraw/zinc/63/66/95/1017636695.db2.gz HVUFEIGHOQXIAH-VIFPVBQESA-N 1 0 307.354 -0.107 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001498134320 1017636720 /nfs/dbraw/zinc/63/67/20/1017636720.db2.gz PLQOWARLAXJUSF-OBJOEFQTSA-N 1 0 308.382 -0.298 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2(C(=O)NC)CC2)C1=O ZINC001498141130 1017641785 /nfs/dbraw/zinc/64/17/85/1017641785.db2.gz UOXGVWPIBAYCPZ-NWDGAFQWSA-N 1 0 322.409 -0.606 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(CC2CC2)c1 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/nfs/dbraw/zinc/94/78/14/1024947814.db2.gz HARLCSXBGFEHQE-VXGBXAGGSA-N 1 0 319.352 -0.958 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001568572818 1024947849 /nfs/dbraw/zinc/94/78/49/1024947849.db2.gz HARLCSXBGFEHQE-RYUDHWBXSA-N 1 0 319.352 -0.958 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)c2cccnc21 ZINC001568571157 1024947869 /nfs/dbraw/zinc/94/78/69/1024947869.db2.gz UOOPZMZAIZEWLX-CYBMUJFWSA-N 1 0 315.377 -0.170 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001568571195 1024947986 /nfs/dbraw/zinc/94/79/86/1024947986.db2.gz VANSWMJJSCJLRL-NSHDSACASA-N 1 0 301.350 -0.030 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ncc(C)cc1C ZINC001568570914 1024948616 /nfs/dbraw/zinc/94/86/16/1024948616.db2.gz RUBXBZMTJCSJTC-CYBMUJFWSA-N 1 0 320.393 -0.319 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001568570740 1024948682 /nfs/dbraw/zinc/94/86/82/1024948682.db2.gz IXUBMSWPBNICGF-VXGBXAGGSA-N 1 0 304.412 -0.546 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ncc(C)cc1C ZINC001568570917 1024949017 /nfs/dbraw/zinc/94/90/17/1024949017.db2.gz RUBXBZMTJCSJTC-ZDUSSCGKSA-N 1 0 320.393 -0.319 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2cccnc21 ZINC001568576638 1024949847 /nfs/dbraw/zinc/94/98/47/1024949847.db2.gz KHLLRJGQGBPPRR-GJZGRUSLSA-N 1 0 317.389 -0.172 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cccnc21 ZINC001568576637 1024951003 /nfs/dbraw/zinc/95/10/03/1024951003.db2.gz KHLLRJGQGBPPRR-CABCVRRESA-N 1 0 317.389 -0.172 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001568579721 1024951663 /nfs/dbraw/zinc/95/16/63/1024951663.db2.gz HPLWAOHLSUEKDY-WCQYABFASA-N 1 0 307.394 -0.619 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001568581529 1024955153 /nfs/dbraw/zinc/95/51/53/1024955153.db2.gz UXRRMEDOQSSBGW-GFCCVEGCSA-N 1 0 314.773 -0.747 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2cccnn21 ZINC001568583303 1024955359 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MOJNNMJRFQZZDS-LBPRGKRZSA-N 1 0 318.381 -0.519 20 30 DBEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001324273730 806958458 /nfs/dbraw/zinc/95/84/58/806958458.db2.gz ORNBUJZEDCGEGW-NEPJUHHUSA-N 1 0 301.412 -0.165 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CN1C(=O)CN(C)C1=O ZINC001324278387 806958824 /nfs/dbraw/zinc/95/88/24/806958824.db2.gz UTMCPQXTLSBGQJ-LBPRGKRZSA-N 1 0 306.366 -0.516 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001324291770 806960794 /nfs/dbraw/zinc/96/07/94/806960794.db2.gz LWTRRCUMHJEEIT-CHWSQXEVSA-N 1 0 321.377 -0.730 20 30 DBEDRO C#CCC[NH+]1CCC(C)(NC(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC001324343777 806964897 /nfs/dbraw/zinc/96/48/97/806964897.db2.gz TWJMLZOISMUDII-UHFFFAOYSA-N 1 0 320.393 -0.126 20 30 DBEDRO C#CCN(C(=O)CC(N)=O)C1CC[NH+](CCC[C@H](C)O)CC1 ZINC001324377866 806969204 /nfs/dbraw/zinc/96/92/04/806969204.db2.gz SXBOYMXSVHIROZ-ZDUSSCGKSA-N 1 0 309.410 -0.051 20 30 DBEDRO C#CCN(C(=O)[C@@H](C)OC)C1CC[NH+](CCOCCO)CC1 ZINC001324374914 806968563 /nfs/dbraw/zinc/96/85/63/806968563.db2.gz VUGJLLHWDLMKSS-CQSZACIVSA-N 1 0 312.410 -0.044 20 30 DBEDRO C#CCN(C(=O)[C@H]1CCNC(=O)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001324384483 806969775 /nfs/dbraw/zinc/96/97/75/806969775.db2.gz LMNBWXCFSHTHTE-KGLIPLIRSA-N 1 0 321.421 -0.180 20 30 DBEDRO C#CCN(C(=O)Cn1ncnn1)C1CC[NH+](CCCOC)CC1 ZINC001324396402 806971429 /nfs/dbraw/zinc/97/14/29/806971429.db2.gz GUWVTSJCXIOBHY-UHFFFAOYSA-N 1 0 320.397 -0.364 20 30 DBEDRO C#CCN(C(=O)[C@H](C)[C@@H]1CCC(=O)N1)C1CC[NH+](CCO)CC1 ZINC001324427147 806974601 /nfs/dbraw/zinc/97/46/01/806974601.db2.gz SPUUHGUUGIZRMX-HIFRSBDPSA-N 1 0 321.421 -0.180 20 30 DBEDRO C=CC[NH2+]C[C@H](NC(=O)Cn1cnc(C(N)=O)n1)C1CCCC1 ZINC001324466905 806977924 /nfs/dbraw/zinc/97/79/24/806977924.db2.gz GMOWYQMZWJIRIW-LBPRGKRZSA-N 1 0 320.397 -0.172 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cn[nH]n1)C1CCCC1 ZINC001324481886 806978659 /nfs/dbraw/zinc/97/86/59/806978659.db2.gz IOGWFTCFZCYQNZ-LBPRGKRZSA-N 1 0 320.397 -0.015 20 30 DBEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001324657346 806997013 /nfs/dbraw/zinc/99/70/13/806997013.db2.gz QNZTZOWNANPJTR-MRXNPFEDSA-N 1 0 318.377 -0.469 20 30 DBEDRO C=CCOCC[N@H+]1CC[C@](C)(NC(=O)CN2C(=O)CNC2=O)C1 ZINC001324670036 806998134 /nfs/dbraw/zinc/99/81/34/806998134.db2.gz UVTVLWQVLNQCOS-HNNXBMFYSA-N 1 0 324.381 -0.679 20 30 DBEDRO C=CCN1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001035445229 814942122 /nfs/dbraw/zinc/94/21/22/814942122.db2.gz BEOCZRPSZIGIHP-DGNOSDGRSA-N 1 0 321.421 -0.147 20 30 DBEDRO C#CCN1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035482850 814953759 /nfs/dbraw/zinc/95/37/59/814953759.db2.gz KBPCXSCODNKPHY-LSDHHAIUSA-N 1 0 309.410 -0.454 20 30 DBEDRO C#CCCN1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035484067 814954434 /nfs/dbraw/zinc/95/44/34/814954434.db2.gz WSCWGZGGTQKJNS-JKSUJKDBSA-N 1 0 323.437 -0.064 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1cncn1C ZINC001278001585 803740249 /nfs/dbraw/zinc/74/02/49/803740249.db2.gz BOOJKULSCYWWFW-CYBMUJFWSA-N 1 0 319.409 -0.461 20 30 DBEDRO C=CCCOCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278025958 803742233 /nfs/dbraw/zinc/74/22/33/803742233.db2.gz UPUJORXOKUBBDM-RYUDHWBXSA-N 1 0 311.382 -0.179 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001278032948 803744461 /nfs/dbraw/zinc/74/44/61/803744461.db2.gz DHZYGSFMSOOYNR-GFCCVEGCSA-N 1 0 318.377 -0.120 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(C)o1 ZINC001278041716 803746403 /nfs/dbraw/zinc/74/64/03/803746403.db2.gz QPXBGQWMYPHNJK-NEPJUHHUSA-N 1 0 309.366 -0.041 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1scnc1C ZINC001278048503 803747436 /nfs/dbraw/zinc/74/74/36/803747436.db2.gz QGFDGMFDBRTOHI-MNOVXSKESA-N 1 0 324.406 -0.730 20 30 DBEDRO N#CCSCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001278049485 803748532 /nfs/dbraw/zinc/74/85/32/803748532.db2.gz ZZRCKTZLZRJDAJ-WDEREUQCSA-N 1 0 324.410 -0.911 20 30 DBEDRO C#CCC[NH+]1CCC(C)(NC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001278057218 803749419 /nfs/dbraw/zinc/74/94/19/803749419.db2.gz HZZIEGDSYFDOCQ-UHFFFAOYSA-N 1 0 315.439 -0.128 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)=C1CCCC1 ZINC001278069643 803750343 /nfs/dbraw/zinc/75/03/43/803750343.db2.gz BWSHPXVHUIJOGL-GFCCVEGCSA-N 1 0 311.357 -0.400 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2coc(C)n2)C1=O ZINC001278072633 803751069 /nfs/dbraw/zinc/75/10/69/803751069.db2.gz UOHUJKKWWGEFRD-NWDGAFQWSA-N 1 0 322.365 -0.550 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)COc1c(C)nn(C)c1C ZINC001278078385 803751591 /nfs/dbraw/zinc/75/15/91/803751591.db2.gz VOKAMRZZQBZZJD-ZDUSSCGKSA-N 1 0 308.382 -0.494 20 30 DBEDRO CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001278078415 803751730 /nfs/dbraw/zinc/75/17/30/803751730.db2.gz WATUKNQGKLCEDR-CYBMUJFWSA-N 1 0 309.410 -0.371 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CNC(=O)c1ccoc1C ZINC001278085438 803752615 /nfs/dbraw/zinc/75/26/15/803752615.db2.gz OQSQMFLRAIOPEL-LBPRGKRZSA-N 1 0 309.366 -0.039 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001278094744 803753474 /nfs/dbraw/zinc/75/34/74/803753474.db2.gz YSMFPTRMORJWNI-JSGCOSHPSA-N 1 0 302.378 -0.329 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001278099168 803754237 /nfs/dbraw/zinc/75/42/37/803754237.db2.gz FKXJSGFMMUJBON-YOEHRIQHSA-N 1 0 321.421 -0.227 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001278099320 803754276 /nfs/dbraw/zinc/75/42/76/803754276.db2.gz IUNGDEIDWWMDOO-OLZOCXBDSA-N 1 0 320.393 -0.452 20 30 DBEDRO CC(C)(C(N)=O)C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278099465 803754684 /nfs/dbraw/zinc/75/46/84/803754684.db2.gz LGMLWLICRWSIRN-AWEZNQCLSA-N 1 0 317.389 -0.384 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1csc(NC(C)=O)n1 ZINC001278106484 803755156 /nfs/dbraw/zinc/75/51/56/803755156.db2.gz ZYVKWIBXACRZHG-SNVBAGLBSA-N 1 0 310.379 -0.195 20 30 DBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001278113128 803756106 /nfs/dbraw/zinc/75/61/06/803756106.db2.gz SBWCGRNQWQOFQL-NWDGAFQWSA-N 1 0 304.412 -0.546 20 30 DBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1ccc(C(N)=O)cc1 ZINC001278113048 803756323 /nfs/dbraw/zinc/75/63/23/803756323.db2.gz QCEBVDQQXCPWOE-CQSZACIVSA-N 1 0 303.362 -0.582 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)NC)cc1 ZINC001278129339 803758081 /nfs/dbraw/zinc/75/80/81/803758081.db2.gz LXROTLFPTGQNIO-RISCZKNCSA-N 1 0 303.362 -0.517 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC2(CCC2)C1 ZINC001278138844 803759426 /nfs/dbraw/zinc/75/94/26/803759426.db2.gz OSQUFULVLPZMNG-GXTWGEPZSA-N 1 0 321.421 -0.229 20 30 DBEDRO C#CCN(C(=O)CNC(=O)NC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001278157856 803761087 /nfs/dbraw/zinc/76/10/87/803761087.db2.gz WTLSSDFZLYIDEK-LBPRGKRZSA-N 1 0 310.398 -0.778 20 30 DBEDRO C#CCN(C(=O)CNC(=O)NC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001278157853 803761140 /nfs/dbraw/zinc/76/11/40/803761140.db2.gz WTLSSDFZLYIDEK-GFCCVEGCSA-N 1 0 310.398 -0.778 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001278155261 803761233 /nfs/dbraw/zinc/76/12/33/803761233.db2.gz OLSICMXXIVBGMY-NSHDSACASA-N 1 0 308.382 -0.393 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)c2)c1 ZINC001278148583 803761559 /nfs/dbraw/zinc/76/15/59/803761559.db2.gz YBUNEXWZBTZBOR-OAHLLOKOSA-N 1 0 313.361 -0.323 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](F)c1ccccc1 ZINC001278165746 803762516 /nfs/dbraw/zinc/76/25/16/803762516.db2.gz ZMYAEZQDXXDOFV-UKRRQHHQSA-N 1 0 321.352 -0.487 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cccn2ccnc12 ZINC001278171714 803763168 /nfs/dbraw/zinc/76/31/68/803763168.db2.gz KXWSLTKDUKLRAL-ZDUSSCGKSA-N 1 0 316.361 -0.336 20 30 DBEDRO C#CCN(C(=O)c1cn(C)c(=O)[nH]1)C1CC[NH+](CCO)CC1 ZINC001278177258 803764180 /nfs/dbraw/zinc/76/41/80/803764180.db2.gz LYEAOQNIKADDHT-UHFFFAOYSA-N 1 0 306.366 -0.342 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)COc1ccsc1 ZINC001278178470 803764641 /nfs/dbraw/zinc/76/46/41/803764641.db2.gz HCOBSHFZCDUQOW-GFCCVEGCSA-N 1 0 312.391 -0.157 20 30 DBEDRO C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CC(N)=O)CC1 ZINC001278194321 803766685 /nfs/dbraw/zinc/76/66/85/803766685.db2.gz KFUNCRSFMLWSCC-CQSZACIVSA-N 1 0 320.437 -0.260 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCNC(=O)c1cccs1 ZINC001278193816 803766857 /nfs/dbraw/zinc/76/68/57/803766857.db2.gz DQFBHKJICVKTHA-NSHDSACASA-N 1 0 309.391 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001278201437 803767336 /nfs/dbraw/zinc/76/73/36/803767336.db2.gz GJMIMWFSKAFKRW-WMLDXEAASA-N 1 0 321.421 -0.061 20 30 DBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H]1C ZINC001278262940 803771864 /nfs/dbraw/zinc/77/18/64/803771864.db2.gz FMNQNPJEIUXURC-YPMHNXCESA-N 1 0 316.423 -0.187 20 30 DBEDRO C[C@H](C#N)S(=O)(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001278265185 803772632 /nfs/dbraw/zinc/77/26/32/803772632.db2.gz BLPJWQRCJJCOBM-UPJWGTAASA-N 1 0 316.427 -0.825 20 30 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ZINC001108678871 828037857 /nfs/dbraw/zinc/03/78/57/828037857.db2.gz NBWAERLNCJCIDN-AVGNSLFASA-N 1 0 315.377 -0.258 20 30 DBEDRO C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCOCC1=O)C2 ZINC001108704454 828039516 /nfs/dbraw/zinc/03/95/16/828039516.db2.gz MDELHINJJGZYOL-ZNMIVQPWSA-N 1 0 319.405 -0.162 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[nH]n1)C2 ZINC001108719617 828041492 /nfs/dbraw/zinc/04/14/92/828041492.db2.gz VJSQKCHTFBWSCJ-SRVKXCTJSA-N 1 0 316.365 -0.863 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1nccn2ccnc12 ZINC001166899175 833284300 /nfs/dbraw/zinc/28/43/00/833284300.db2.gz JWNDJPVVBZFGCX-UHFFFAOYSA-N 1 0 314.349 -0.812 20 30 DBEDRO C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001166902790 833284505 /nfs/dbraw/zinc/28/45/05/833284505.db2.gz MDNGGLWCOVDIFX-LBPRGKRZSA-N 1 0 310.398 -0.254 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnon1)C2 ZINC001108780489 828046924 /nfs/dbraw/zinc/04/69/24/828046924.db2.gz 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C[C@@H](CN(C)c1nccnc1C#N)NC(=O)COCC[NH+](C)C ZINC001109039960 828081081 /nfs/dbraw/zinc/08/10/81/828081081.db2.gz UDLSZYJWNSOSMJ-LBPRGKRZSA-N 1 0 320.397 -0.133 20 30 DBEDRO C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109067874 828085766 /nfs/dbraw/zinc/08/57/66/828085766.db2.gz KQFZKZCUXWBEFL-QPSCCSFWSA-N 1 0 318.421 -0.449 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001167093453 833290802 /nfs/dbraw/zinc/29/08/02/833290802.db2.gz NGGNKAQLNMDDLJ-DGAVXFQQSA-N 1 0 307.394 -0.212 20 30 DBEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001167089817 833290914 /nfs/dbraw/zinc/29/09/14/833290914.db2.gz OZPBTBIPWRWPLI-GARJFASQSA-N 1 0 319.365 -0.066 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCOC1 ZINC001109175274 828094716 /nfs/dbraw/zinc/09/47/16/828094716.db2.gz DCINDVYILZYBDO-XGUBFFRZSA-N 1 0 319.405 -0.116 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)NC(C)=O)C1=O 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/nfs/dbraw/zinc/27/00/31/829270031.db2.gz CRROCLGBUOXWQA-RYUDHWBXSA-N 1 0 305.382 -0.498 20 30 DBEDRO C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H](C)N1CC#N ZINC001119515324 829270155 /nfs/dbraw/zinc/27/01/55/829270155.db2.gz CRROCLGBUOXWQA-TXEJJXNPSA-N 1 0 305.382 -0.498 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C(N)=O)C1=O ZINC001175024053 833386674 /nfs/dbraw/zinc/38/66/74/833386674.db2.gz XAYHMUOZCBONJY-NWDGAFQWSA-N 1 0 310.398 -0.477 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001119588559 829279468 /nfs/dbraw/zinc/27/94/68/829279468.db2.gz HXTJJYPFJIZFQF-DGCLKSJQSA-N 1 0 323.393 -0.322 20 30 DBEDRO C[C@H]1CN(C(=O)NCC#CCO)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001119617897 829282252 /nfs/dbraw/zinc/28/22/52/829282252.db2.gz XKRXIYNSWXLLJE-LSDHHAIUSA-N 1 0 308.426 -0.351 20 30 DBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)OC ZINC001175179628 833387886 /nfs/dbraw/zinc/38/78/86/833387886.db2.gz LFIJWJMDBFSIBT-NSHDSACASA-N 1 0 300.355 -0.085 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175286876 833388714 /nfs/dbraw/zinc/38/87/14/833388714.db2.gz BZKJQKYBPQNIQI-UPJWGTAASA-N 1 0 324.425 -0.325 20 30 DBEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001175290114 833389154 /nfs/dbraw/zinc/38/91/54/833389154.db2.gz ZZXUBDVKUJVCMU-TUAOUCFPSA-N 1 0 323.397 -0.988 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCCCNC(C)=O ZINC001175373580 833389381 /nfs/dbraw/zinc/38/93/81/833389381.db2.gz UGKPJTPJHCSTOF-UHFFFAOYSA-N 1 0 324.425 -0.472 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCCCC1=O ZINC001175592112 833393195 /nfs/dbraw/zinc/39/31/95/833393195.db2.gz RPHRHXVJTDBQSH-UHFFFAOYSA-N 1 0 324.425 -0.213 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CN1CCCCCC1=O ZINC001175592904 833393384 /nfs/dbraw/zinc/39/33/84/833393384.db2.gz ZHVOSUTXVAVOJM-UHFFFAOYSA-N 1 0 323.397 -0.875 20 30 DBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001175720054 833395302 /nfs/dbraw/zinc/39/53/02/833395302.db2.gz SXACYZZHKKZJDE-ZDUSSCGKSA-N 1 0 320.393 -0.176 20 30 DBEDRO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001175755479 833395691 /nfs/dbraw/zinc/39/56/91/833395691.db2.gz SHVPWYNDPYYXCU-LBPRGKRZSA-N 1 0 308.382 -0.174 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1nnc[nH]1 ZINC001175777109 833396234 /nfs/dbraw/zinc/39/62/34/833396234.db2.gz OCJOWMUBJSDMMC-RYUDHWBXSA-N 1 0 320.397 -0.179 20 30 DBEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)c1nnc[nH]1 ZINC001175786744 833396254 /nfs/dbraw/zinc/39/62/54/833396254.db2.gz OVLPRJSZLXCBBD-SNVBAGLBSA-N 1 0 307.358 -0.677 20 30 DBEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001120375068 829356027 /nfs/dbraw/zinc/35/60/27/829356027.db2.gz BDWOCWCMTQYWFL-RISCZKNCSA-N 1 0 312.345 -0.713 20 30 DBEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC#N)CC1 ZINC001120375358 829356323 /nfs/dbraw/zinc/35/63/23/829356323.db2.gz BEVXCHCOVCXAEK-ZDUSSCGKSA-N 1 0 308.382 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)c1cnon1 ZINC001175793667 833396868 /nfs/dbraw/zinc/39/68/68/833396868.db2.gz HLCPDKHFDUUKJU-LLVKDONJSA-N 1 0 307.354 -0.303 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CNC(=O)C(C)(C)C ZINC001175890334 833398046 /nfs/dbraw/zinc/39/80/46/833398046.db2.gz UNLBKQRZDBTJJE-GFCCVEGCSA-N 1 0 324.425 -0.618 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCc1nc(C)no1 ZINC001175983374 833398336 /nfs/dbraw/zinc/39/83/36/833398336.db2.gz GZLXWCCRVSBOCJ-UHFFFAOYSA-N 1 0 321.381 -0.454 20 30 DBEDRO COCC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001120423484 829368495 /nfs/dbraw/zinc/36/84/95/829368495.db2.gz VAANPYNFTPUNDF-KBPBESRZSA-N 1 0 307.394 -0.176 20 30 DBEDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001120427441 829368563 /nfs/dbraw/zinc/36/85/63/829368563.db2.gz CCBCHYLLZNDNGQ-GFCCVEGCSA-N 1 0 307.398 -0.795 20 30 DBEDRO Cc1noc(CCCC(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001175990620 833398823 /nfs/dbraw/zinc/39/88/23/833398823.db2.gz PNIAKCSCXCJKML-UHFFFAOYSA-N 1 0 322.369 -0.564 20 30 DBEDRO CN(C)c1ncccc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176049152 833399353 /nfs/dbraw/zinc/39/93/53/833399353.db2.gz IXIJDXGASURGJW-UHFFFAOYSA-N 1 0 318.381 -0.503 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccn(C)n1 ZINC001176079770 833399780 /nfs/dbraw/zinc/39/97/80/833399780.db2.gz DZCRUILIAOAQCL-UHFFFAOYSA-N 1 0 322.369 -0.859 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)c2ccn(C)n2)C1=O ZINC001176080794 833399933 /nfs/dbraw/zinc/39/99/33/833399933.db2.gz KYYIUNYOSYIHCA-ZDUSSCGKSA-N 1 0 305.382 -0.084 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001176095507 833400511 /nfs/dbraw/zinc/40/05/11/833400511.db2.gz GBOPSTBOHUJNEI-GFCCVEGCSA-N 1 0 322.413 -0.086 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001176097161 833400837 /nfs/dbraw/zinc/40/08/37/833400837.db2.gz VSCGAIMQJNROGU-LBPRGKRZSA-N 1 0 320.397 -0.639 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153443 833401521 /nfs/dbraw/zinc/40/15/21/833401521.db2.gz VBFIADMKMXXOSQ-UHFFFAOYSA-N 1 0 307.354 -0.875 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)[C@H](C)CC ZINC001176318945 833403851 /nfs/dbraw/zinc/40/38/51/833403851.db2.gz RAKOUINLCAXSQA-OLZOCXBDSA-N 1 0 324.425 -0.618 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC(N)=O)C2)C1 ZINC001120874720 829408540 /nfs/dbraw/zinc/40/85/40/829408540.db2.gz OYUPPOHCYISTOX-MJMQAPBISA-N 1 0 320.393 -0.983 20 30 DBEDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176336506 833404060 /nfs/dbraw/zinc/40/40/60/833404060.db2.gz OFYOVBJKAYXWLL-UHFFFAOYSA-N 1 0 323.418 -0.317 20 30 DBEDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176335404 833404225 /nfs/dbraw/zinc/40/42/25/833404225.db2.gz CUVUDMXDMNADQQ-UHFFFAOYSA-N 1 0 324.406 -0.297 20 30 DBEDRO C#CCOCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001121102784 829431902 /nfs/dbraw/zinc/43/19/02/829431902.db2.gz MNMZRIKACSIHGT-UHFFFAOYSA-N 1 0 307.394 -0.211 20 30 DBEDRO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)N1CCCC1=O ZINC001176476878 833407355 /nfs/dbraw/zinc/40/73/55/833407355.db2.gz GVHBEOPPHGUOKE-LBPRGKRZSA-N 1 0 323.397 -0.877 20 30 DBEDRO C[C@@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)C(=O)NC1(C#N)CCC1 ZINC001176505794 833407757 /nfs/dbraw/zinc/40/77/57/833407757.db2.gz VALNYQUNUNHWGH-NEPJUHHUSA-N 1 0 320.393 -0.178 20 30 DBEDRO C[C@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)C(=O)NC1(C#N)CCC1 ZINC001176505800 833407849 /nfs/dbraw/zinc/40/78/49/833407849.db2.gz VALNYQUNUNHWGH-RYUDHWBXSA-N 1 0 320.393 -0.178 20 30 DBEDRO CNC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001121200587 829445429 /nfs/dbraw/zinc/44/54/29/829445429.db2.gz VCSLAFCVOHHNLB-UHFFFAOYSA-N 1 0 322.409 -0.418 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)cn1 ZINC001121240152 829452005 /nfs/dbraw/zinc/45/20/05/829452005.db2.gz GBSLAKOXKHPJFF-QWHCGFSZSA-N 1 0 303.366 -0.064 20 30 DBEDRO Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)c(C#N)cn1 ZINC001121243412 829452653 /nfs/dbraw/zinc/45/26/53/829452653.db2.gz VPESPBGKUPWPAG-HIFRSBDPSA-N 1 0 317.393 -0.333 20 30 DBEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001121242835 829453541 /nfs/dbraw/zinc/45/35/41/829453541.db2.gz ROQFWUDAAIUQFN-RYUDHWBXSA-N 1 0 304.354 -0.669 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001121242834 829453740 /nfs/dbraw/zinc/45/37/40/829453740.db2.gz ROQFWUDAAIUQFN-NWDGAFQWSA-N 1 0 304.354 -0.669 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001176628112 833411597 /nfs/dbraw/zinc/41/15/97/833411597.db2.gz PKEXZCXKRDMDJH-GFCCVEGCSA-N 1 0 319.409 -0.087 20 30 DBEDRO C#CC[NH2+]CC1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCCCC1 ZINC001276213073 833412352 /nfs/dbraw/zinc/41/23/52/833412352.db2.gz KHAHRKQZNFBVAI-UHFFFAOYSA-N 1 0 318.377 -0.009 20 30 DBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)CCn3ncn(C)c3=O)C2)C1 ZINC001121468981 829486067 /nfs/dbraw/zinc/48/60/67/829486067.db2.gz JSDROTMQSWUNQI-UHFFFAOYSA-N 1 0 317.393 -0.378 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1[nH]c(C)nc1C ZINC001276232329 833414185 /nfs/dbraw/zinc/41/41/85/833414185.db2.gz NABJEAJPCBTXFX-UHFFFAOYSA-N 1 0 305.382 -0.172 20 30 DBEDRO N#Cc1ccc(N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)nc1 ZINC001121580095 829493929 /nfs/dbraw/zinc/49/39/29/829493929.db2.gz FQXAIOBAQOOMGU-CYBMUJFWSA-N 1 0 303.366 -0.062 20 30 DBEDRO N#Cc1nccnc1N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001121580575 829494011 /nfs/dbraw/zinc/49/40/11/829494011.db2.gz KEVVDDFGWGSGGZ-LLVKDONJSA-N 1 0 304.354 -0.667 20 30 DBEDRO Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C#N)cn1 ZINC001121589601 829494770 /nfs/dbraw/zinc/49/47/70/829494770.db2.gz GSTDMCXNVSUJJO-GXTWGEPZSA-N 1 0 317.393 -0.476 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 ZINC001121591521 829495592 /nfs/dbraw/zinc/49/55/92/829495592.db2.gz QBTKTDSOINCTAG-CMPLNLGQSA-N 1 0 304.354 -0.811 20 30 DBEDRO Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001121591829 829496113 /nfs/dbraw/zinc/49/61/13/829496113.db2.gz WPMMFBOHNBIYJP-WCQYABFASA-N 1 0 318.381 -0.503 20 30 DBEDRO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176639398 833414937 /nfs/dbraw/zinc/41/49/37/833414937.db2.gz UWFNWRJETJAOBE-STQMWFEESA-N 1 0 315.439 -0.034 20 30 DBEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176639396 833415009 /nfs/dbraw/zinc/41/50/09/833415009.db2.gz UWFNWRJETJAOBE-OLZOCXBDSA-N 1 0 315.439 -0.034 20 30 DBEDRO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639390 833415283 /nfs/dbraw/zinc/41/52/83/833415283.db2.gz UOOQUSFOGICDAN-LBPRGKRZSA-N 1 0 303.428 -0.177 20 30 DBEDRO COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001121654152 829500425 /nfs/dbraw/zinc/50/04/25/829500425.db2.gz SNSGIUBXDFBTDV-KSISSFPLSA-N 1 0 320.393 -0.665 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1 ZINC001121659416 829500954 /nfs/dbraw/zinc/50/09/54/829500954.db2.gz QFWVYPUQIIBOCB-CYBMUJFWSA-N 1 0 320.397 -0.113 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001121658213 829501362 /nfs/dbraw/zinc/50/13/62/829501362.db2.gz GVBQVPVCGXFXLW-LBPRGKRZSA-N 1 0 306.370 -0.421 20 30 DBEDRO C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001121654545 829501386 /nfs/dbraw/zinc/50/13/86/829501386.db2.gz WZVOEJOAGCFIFC-HTVNSPLZSA-N 1 0 322.409 -0.113 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001121660568 829502079 /nfs/dbraw/zinc/50/20/79/829502079.db2.gz YIXPTAJVYBWEOF-LBPRGKRZSA-N 1 0 306.370 -0.421 20 30 DBEDRO Cc1cc(N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)c(C#N)cn1 ZINC001121668676 829502265 /nfs/dbraw/zinc/50/22/65/829502265.db2.gz JDHSXOWLMPTLHB-CQSZACIVSA-N 1 0 319.409 -0.087 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001121668579 829502318 /nfs/dbraw/zinc/50/23/18/829502318.db2.gz HOISKKDDTBPZMZ-CYBMUJFWSA-N 1 0 305.382 -0.396 20 30 DBEDRO CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1cc(C)ncc1C#N ZINC001121670054 829503391 /nfs/dbraw/zinc/50/33/91/829503391.db2.gz QNGIEDWEVZIICO-AWEZNQCLSA-N 1 0 319.409 -0.086 20 30 DBEDRO N#Cc1cncc(N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)n1 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C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130639902 830351723 /nfs/dbraw/zinc/35/17/23/830351723.db2.gz QSZMHTCQYQLOOZ-MBNYWOFBSA-N 1 0 317.393 -0.551 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001130664819 830355855 /nfs/dbraw/zinc/35/58/55/830355855.db2.gz RJCXLPVDUOCHEO-CYBMUJFWSA-N 1 0 323.372 -0.041 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn(CCF)c2)C1=O ZINC001130664820 830356349 /nfs/dbraw/zinc/35/63/49/830356349.db2.gz RJCXLPVDUOCHEO-ZDUSSCGKSA-N 1 0 323.372 -0.041 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)COC)n2)O1 ZINC001130744277 830374511 /nfs/dbraw/zinc/37/45/11/830374511.db2.gz BPCYYTNBUVORPG-NWDGAFQWSA-N 1 0 321.381 -0.100 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccc(=O)n(C)c2)C1=O ZINC001130763917 830378508 /nfs/dbraw/zinc/37/85/08/830378508.db2.gz KBUKXFAHGPHMML-CYBMUJFWSA-N 1 0 318.377 -0.508 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H](C)OC)n2)O1 ZINC001130765458 830378983 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CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001132900793 830714010 /nfs/dbraw/zinc/71/40/10/830714010.db2.gz HMCKYSMFHUVYKJ-HUUCEWRRSA-N 1 0 321.421 -0.057 20 30 DBEDRO Cn1cc2c(n1)CCC[C@H]2C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132927128 830718161 /nfs/dbraw/zinc/71/81/61/830718161.db2.gz YUAZWMGYKOJDDT-LLVKDONJSA-N 1 0 318.381 -0.814 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1C ZINC001132942083 830719268 /nfs/dbraw/zinc/71/92/68/830719268.db2.gz WHIWEPLUMXYEGG-NWDGAFQWSA-N 1 0 318.381 -0.758 20 30 DBEDRO C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001132944880 830719428 /nfs/dbraw/zinc/71/94/28/830719428.db2.gz AVWBYTJXSQQURU-QWRGUYRKSA-N 1 0 319.369 -0.868 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn[nH]n2)CC[C@@H]1C ZINC001132942084 830719587 /nfs/dbraw/zinc/71/95/87/830719587.db2.gz WHIWEPLUMXYEGG-RYUDHWBXSA-N 1 0 318.381 -0.758 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132949796 830719942 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C=CC[NH2+]C[C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC[C@@H]1C ZINC001133010740 830733340 /nfs/dbraw/zinc/73/33/40/830733340.db2.gz AHOJJXLSZSSORY-NWDGAFQWSA-N 1 0 318.443 -0.700 20 30 DBEDRO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133111517 830741779 /nfs/dbraw/zinc/74/17/79/830741779.db2.gz FOAZMILKZLVGHR-GFCCVEGCSA-N 1 0 305.313 -0.415 20 30 DBEDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)cc1C#N ZINC001133129013 830744991 /nfs/dbraw/zinc/74/49/91/830744991.db2.gz SYRPITKRPWPXKD-LBPRGKRZSA-N 1 0 317.349 -0.546 20 30 DBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001133154712 830747918 /nfs/dbraw/zinc/74/79/18/830747918.db2.gz RBEKPCMOSVBLKG-ZDUSSCGKSA-N 1 0 324.425 -0.228 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133173403 830748789 /nfs/dbraw/zinc/74/87/89/830748789.db2.gz DVXVCLSGISPQEK-OLZOCXBDSA-N 1 0 320.393 -0.364 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001133181999 830748831 /nfs/dbraw/zinc/74/88/31/830748831.db2.gz MKDMAVKZCHXZED-RYUDHWBXSA-N 1 0 320.397 -0.205 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133173911 830748944 /nfs/dbraw/zinc/74/89/44/830748944.db2.gz IQQPROSRRZNLPS-CHWSQXEVSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C ZINC001133178674 830748988 /nfs/dbraw/zinc/74/89/88/830748988.db2.gz VXUZXGCXFIUUFC-NEPJUHHUSA-N 1 0 318.381 -0.758 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1C ZINC001133178677 830749098 /nfs/dbraw/zinc/74/90/98/830749098.db2.gz VXUZXGCXFIUUFC-VXGBXAGGSA-N 1 0 318.381 -0.758 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2nonc2c1 ZINC001133203697 830756608 /nfs/dbraw/zinc/75/66/08/830756608.db2.gz SVCWJXBUTCROQY-UHFFFAOYSA-N 1 0 302.294 -0.818 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255619 830761257 /nfs/dbraw/zinc/76/12/57/830761257.db2.gz STDKZCVYJPLPDM-AWEZNQCLSA-N 1 0 323.397 -0.635 20 30 DBEDRO 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UZJYFPWRLUJRNF-NEPJUHHUSA-N 1 0 318.381 -0.916 20 30 DBEDRO C=C1CCC(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001133365588 830772962 /nfs/dbraw/zinc/77/29/62/830772962.db2.gz XQHWDUSDWAZSFZ-UHFFFAOYSA-N 1 0 308.382 -0.010 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(C)(F)F ZINC001133446275 830775819 /nfs/dbraw/zinc/77/58/19/830775819.db2.gz ARCGCWMYIOQIDB-UHFFFAOYSA-N 1 0 306.313 -0.251 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnccn1 ZINC001133548762 830788239 /nfs/dbraw/zinc/78/82/39/830788239.db2.gz AHSCREMBYVXMKU-RYUDHWBXSA-N 1 0 303.366 -0.288 20 30 DBEDRO Cc1cnc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cn1 ZINC001133579066 830788757 /nfs/dbraw/zinc/78/87/57/830788757.db2.gz XTNFRKYDWDQDMG-QWRGUYRKSA-N 1 0 318.381 -0.089 20 30 DBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001133570123 830789057 /nfs/dbraw/zinc/78/90/57/830789057.db2.gz KWSYUPAEMANKLD-UHFFFAOYSA-N 1 0 303.428 -0.060 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1=COCCO1 ZINC001133580570 830790211 /nfs/dbraw/zinc/79/02/11/830790211.db2.gz BZPCOCKCQGLABB-QWRGUYRKSA-N 1 0 310.354 -0.613 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnc(OCC)c1 ZINC001133601033 830791095 /nfs/dbraw/zinc/79/10/95/830791095.db2.gz MFILXJVXMRPVKO-GFCCVEGCSA-N 1 0 318.377 -0.062 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnccn1 ZINC001133600182 830791352 /nfs/dbraw/zinc/79/13/52/830791352.db2.gz RLROKUGHPFXGJH-WDEREUQCSA-N 1 0 304.354 -0.397 20 30 DBEDRO CCOc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)ccn1 ZINC001133604534 830792104 /nfs/dbraw/zinc/79/21/04/830792104.db2.gz AYFGAYCFDASEJV-UHFFFAOYSA-N 1 0 305.338 -0.561 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001133629349 830798890 /nfs/dbraw/zinc/79/88/90/830798890.db2.gz ZRZOXPHFGKWLJQ-LBPRGKRZSA-N 1 0 306.366 -0.143 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O ZINC001133633157 830799662 /nfs/dbraw/zinc/79/96/62/830799662.db2.gz OMMJIZGHOSGOGC-CHWSQXEVSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1 ZINC001133672068 830806355 /nfs/dbraw/zinc/80/63/55/830806355.db2.gz ULGPZDCZRUYCCY-NEPJUHHUSA-N 1 0 305.382 -0.344 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCCC(=O)N2)C1=O ZINC001133681136 830807139 /nfs/dbraw/zinc/80/71/39/830807139.db2.gz ISWWPVGBBRAGBA-STQMWFEESA-N 1 0 322.409 -0.462 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1ccnc2c1ncn2C ZINC001133688029 830810459 /nfs/dbraw/zinc/81/04/59/830810459.db2.gz RSWXHWGJWWXLFC-UHFFFAOYSA-N 1 0 301.350 -0.063 20 30 DBEDRO Cc1nnsc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133696779 830811261 /nfs/dbraw/zinc/81/12/61/830811261.db2.gz ISBFJEMBZSFWJS-IUCAKERBSA-N 1 0 324.410 -0.027 20 30 DBEDRO Cc1nnsc1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133696777 830811799 /nfs/dbraw/zinc/81/17/99/830811799.db2.gz ISBFJEMBZSFWJS-BDAKNGLRSA-N 1 0 324.410 -0.027 20 30 DBEDRO Cc1nnsc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133696780 830811838 /nfs/dbraw/zinc/81/18/38/830811838.db2.gz ISBFJEMBZSFWJS-RKDXNWHRSA-N 1 0 324.410 -0.027 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CSCC#N)[NH2+]CC(=O)NCC#N ZINC001133735358 830813925 /nfs/dbraw/zinc/81/39/25/830813925.db2.gz CSZVXHNURWWBGB-MNOVXSKESA-N 1 0 311.411 -0.244 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cc(C(N)=O)co2)C1=O ZINC001133711936 830814054 /nfs/dbraw/zinc/81/40/54/830814054.db2.gz CHDRDRWESIGTNN-LLVKDONJSA-N 1 0 320.349 -0.515 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CSCC#N ZINC001133735148 830814248 /nfs/dbraw/zinc/81/42/48/830814248.db2.gz BFLDYXTYXSKLKI-RKDXNWHRSA-N 1 0 315.399 -0.689 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133741413 830815221 /nfs/dbraw/zinc/81/52/21/830815221.db2.gz NPPBSARFLJTXJX-NEPJUHHUSA-N 1 0 310.398 -0.913 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766387 830821304 /nfs/dbraw/zinc/82/13/04/830821304.db2.gz CTFWGQNOPOCRGT-NHYWBVRUSA-N 1 0 308.382 -0.995 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772812 830823171 /nfs/dbraw/zinc/82/31/71/830823171.db2.gz CJXDQYDEQUQVOO-NEPJUHHUSA-N 1 0 322.409 -0.865 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)C1CC1 ZINC001133774744 830824395 /nfs/dbraw/zinc/82/43/95/830824395.db2.gz QZIINTRORKMZAX-QWRGUYRKSA-N 1 0 323.397 -0.975 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133790082 830826637 /nfs/dbraw/zinc/82/66/37/830826637.db2.gz NWFYLWNGNOGBOG-GHMZBOCLSA-N 1 0 314.386 -0.483 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2ncn(C)c2n1 ZINC001133803984 830828781 /nfs/dbraw/zinc/82/87/81/830828781.db2.gz JVTDMPSAQDEMSI-UHFFFAOYSA-N 1 0 314.349 -0.963 20 30 DBEDRO Cc1ncncc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133813113 830830746 /nfs/dbraw/zinc/83/07/46/830830746.db2.gz UZZJTOKVHAKERV-WDEREUQCSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)CCC ZINC001133839418 830836722 /nfs/dbraw/zinc/83/67/22/830836722.db2.gz GKVPLADJRWFERK-OLZOCXBDSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(CF)CCOCC1 ZINC001133862139 830840430 /nfs/dbraw/zinc/84/04/30/830840430.db2.gz ATDPANFPTMRTAW-LBPRGKRZSA-N 1 0 313.373 -0.404 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001133872519 830846012 /nfs/dbraw/zinc/84/60/12/830846012.db2.gz WBOFSGZKKLNFAX-NWDGAFQWSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccnc(OC)c1 ZINC001133876641 830846448 /nfs/dbraw/zinc/84/64/48/830846448.db2.gz BPIAIRGEHVWEPO-UHFFFAOYSA-N 1 0 304.350 -0.912 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001133893873 830850728 /nfs/dbraw/zinc/85/07/28/830850728.db2.gz VGIKFQRQWCELLF-STQMWFEESA-N 1 0 319.409 -0.415 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133909849 830853008 /nfs/dbraw/zinc/85/30/08/830853008.db2.gz RSIBRJYOHVFIOU-WDEREUQCSA-N 1 0 311.386 -0.316 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133909846 830853325 /nfs/dbraw/zinc/85/33/25/830853325.db2.gz RSIBRJYOHVFIOU-GHMZBOCLSA-N 1 0 311.386 -0.316 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCCOC ZINC001133926225 830858968 /nfs/dbraw/zinc/85/89/68/830858968.db2.gz FKDCWZOKELXPKF-STQMWFEESA-N 1 0 313.398 -0.728 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O ZINC001133955924 830865646 /nfs/dbraw/zinc/86/56/46/830865646.db2.gz FWAOGZCPRHSYGC-LBPRGKRZSA-N 1 0 319.365 -0.780 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133959709 830867038 /nfs/dbraw/zinc/86/70/38/830867038.db2.gz AQMUACYKUPISJQ-UHFFFAOYSA-N 1 0 320.397 -0.835 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001133969607 830867804 /nfs/dbraw/zinc/86/78/04/830867804.db2.gz NEULFELZFGLAPW-RYUDHWBXSA-N 1 0 312.414 -0.312 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 ZINC001133974554 830868386 /nfs/dbraw/zinc/86/83/86/830868386.db2.gz NHNKTEYDZFXXDI-WDEREUQCSA-N 1 0 306.370 -0.535 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cc[nH]n1 ZINC001133974553 830868983 /nfs/dbraw/zinc/86/89/83/830868983.db2.gz NHNKTEYDZFXXDI-QWRGUYRKSA-N 1 0 306.370 -0.535 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001133994735 830870765 /nfs/dbraw/zinc/87/07/65/830870765.db2.gz WJKPQEBTOZOVEM-MNOVXSKESA-N 1 0 320.397 -0.641 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nccn2ccnc12 ZINC001134007473 830872530 /nfs/dbraw/zinc/87/25/30/830872530.db2.gz BILJKFDEELCKIK-LLVKDONJSA-N 1 0 316.365 -0.261 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2ccc(C)n2)C1=O ZINC001134006100 830872738 /nfs/dbraw/zinc/87/27/38/830872738.db2.gz FPYPVDURZOSFNR-ZDUSSCGKSA-N 1 0 305.382 -0.316 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCc1ccncc1 ZINC001134025044 830878886 /nfs/dbraw/zinc/87/88/86/830878886.db2.gz LTABKMPKUSATDC-ZDUSSCGKSA-N 1 0 320.393 -0.005 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCc1ccncc1 ZINC001134025043 830879199 /nfs/dbraw/zinc/87/91/99/830879199.db2.gz LTABKMPKUSATDC-CYBMUJFWSA-N 1 0 320.393 -0.005 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134040259 830881229 /nfs/dbraw/zinc/88/12/29/830881229.db2.gz DIDUEQQOTVQBPC-UHFFFAOYSA-N 1 0 314.361 -0.156 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001134044083 830882675 /nfs/dbraw/zinc/88/26/75/830882675.db2.gz UXENNYIHSSDCIM-NEPJUHHUSA-N 1 0 322.413 -0.088 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134046477 830884392 /nfs/dbraw/zinc/88/43/92/830884392.db2.gz ZSWOLKKADDLJPH-VXGBXAGGSA-N 1 0 305.382 -0.468 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001134061704 830885100 /nfs/dbraw/zinc/88/51/00/830885100.db2.gz FBDPBSHGPOJHSH-OLZOCXBDSA-N 1 0 313.398 -0.564 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001134058211 830885529 /nfs/dbraw/zinc/88/55/29/830885529.db2.gz FEOAGUZUXDQEAM-OLZOCXBDSA-N 1 0 313.398 -0.564 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCCC ZINC001134130128 830895403 /nfs/dbraw/zinc/89/54/03/830895403.db2.gz CNVARLODDJVKDK-QWHCGFSZSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001134130261 830895780 /nfs/dbraw/zinc/89/57/80/830895780.db2.gz FJFVKEVXALGWLS-STQMWFEESA-N 1 0 322.409 -0.769 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134129614 830895958 /nfs/dbraw/zinc/89/59/58/830895958.db2.gz MLLAGAKOMJNJEF-KWCYVHTRSA-N 1 0 319.409 -0.080 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001134131318 830896176 /nfs/dbraw/zinc/89/61/76/830896176.db2.gz UTONFCIJGOXETD-CHWSQXEVSA-N 1 0 317.393 -0.011 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001134131360 830896253 /nfs/dbraw/zinc/89/62/53/830896253.db2.gz VFMVOTQTIGBSBU-QWHCGFSZSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nncn1C ZINC001134131017 830896297 /nfs/dbraw/zinc/89/62/97/830896297.db2.gz PKQVTIILIMXQPZ-VXGBXAGGSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001134131115 830896892 /nfs/dbraw/zinc/89/68/92/830896892.db2.gz QSAPCVWYXQFNOU-MNOVXSKESA-N 1 0 307.354 -0.418 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001134131022 830897045 /nfs/dbraw/zinc/89/70/45/830897045.db2.gz PMUBXNDIUSBHKS-CHWSQXEVSA-N 1 0 324.425 -0.523 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134134112 830897627 /nfs/dbraw/zinc/89/76/27/830897627.db2.gz CHMLUCNODQDMQI-QWRGUYRKSA-N 1 0 324.385 -0.841 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cncnc1 ZINC001134153100 830901688 /nfs/dbraw/zinc/90/16/88/830901688.db2.gz VMLDFPPVEBXDFV-RYUDHWBXSA-N 1 0 303.366 -0.288 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1=CCOCC1 ZINC001134159719 830902182 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C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134353117 830926222 /nfs/dbraw/zinc/92/62/22/830926222.db2.gz VWVPNUYDYQMGKW-UONOGXRCSA-N 1 0 300.399 -0.092 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134373069 830929465 /nfs/dbraw/zinc/92/94/65/830929465.db2.gz QVHPDJXCTCASIY-NEPJUHHUSA-N 1 0 308.386 -0.377 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134370406 830929509 /nfs/dbraw/zinc/92/95/09/830929509.db2.gz GDOWLILJJGCEKZ-UHFFFAOYSA-N 1 0 315.373 -0.069 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134372226 830929953 /nfs/dbraw/zinc/92/99/53/830929953.db2.gz GPYINWNOZVBKIS-STQMWFEESA-N 1 0 308.382 -0.461 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401804 830933888 /nfs/dbraw/zinc/93/38/88/830933888.db2.gz WWLBXNVDCBOBEM-MNOVXSKESA-N 1 0 306.370 -0.727 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401803 830933968 /nfs/dbraw/zinc/93/39/68/830933968.db2.gz WWLBXNVDCBOBEM-GHMZBOCLSA-N 1 0 306.370 -0.727 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001134458331 830937885 /nfs/dbraw/zinc/93/78/85/830937885.db2.gz BCSOSUCOJAFUCV-UHFFFAOYSA-N 1 0 315.333 -0.663 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134487040 830939724 /nfs/dbraw/zinc/93/97/24/830939724.db2.gz GVUBRBBAHUWSJK-JTQLQIEISA-N 1 0 313.789 -0.067 20 30 DBEDRO C=CCCCCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487560 830940907 /nfs/dbraw/zinc/94/09/07/830940907.db2.gz RAPMOYMDAGTKCU-UHFFFAOYSA-N 1 0 320.459 -0.165 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134507998 830942815 /nfs/dbraw/zinc/94/28/15/830942815.db2.gz PHKGUBMJSQKCSX-LBPRGKRZSA-N 1 0 310.398 -0.747 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134509592 830943384 /nfs/dbraw/zinc/94/33/84/830943384.db2.gz VMAMORQZSIMMRS-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1ccnc1 ZINC001134517902 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C[C@H]1CCC[C@@H](OCC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001134619669 830957816 /nfs/dbraw/zinc/95/78/16/830957816.db2.gz YTOLVMCWLMKFDF-QWHCGFSZSA-N 1 0 310.398 -0.073 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(C2CC2)n1 ZINC001134622025 830957881 /nfs/dbraw/zinc/95/78/81/830957881.db2.gz AROSOQSMKGVCJD-UHFFFAOYSA-N 1 0 301.350 -0.577 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134640820 830959774 /nfs/dbraw/zinc/95/97/74/830959774.db2.gz MZYNCXYYWBHRDC-GFCCVEGCSA-N 1 0 313.398 -0.422 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655965 830962308 /nfs/dbraw/zinc/96/23/08/830962308.db2.gz QSIGSJHSSBWTFC-STQMWFEESA-N 1 0 313.398 -0.564 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(C)(C)C(N)=O ZINC001134657497 830962585 /nfs/dbraw/zinc/96/25/85/830962585.db2.gz KVEVSMNLSPHISL-UWVGGRQHSA-N 1 0 311.386 -0.989 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134657820 830963181 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DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001134748822 830974450 /nfs/dbraw/zinc/97/44/50/830974450.db2.gz NNKCUDHFKJPBKZ-QWHCGFSZSA-N 1 0 318.439 -0.056 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134749827 830974752 /nfs/dbraw/zinc/97/47/52/830974752.db2.gz ZRJDGQQNBPSMIJ-NEPJUHHUSA-N 1 0 304.412 -0.446 20 30 DBEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769026 830975858 /nfs/dbraw/zinc/97/58/58/830975858.db2.gz IEXPMVNGNYXUOR-NWDGAFQWSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134764474 830976191 /nfs/dbraw/zinc/97/61/91/830976191.db2.gz OEIYLBYZSKTQFS-OLZOCXBDSA-N 1 0 318.439 -0.056 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787694 830977972 /nfs/dbraw/zinc/97/79/72/830977972.db2.gz OCRNYDVHNDZOKN-QWHCGFSZSA-N 1 0 323.397 -0.896 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001134816670 830979030 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C#CC[NH2+]C[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C ZINC001184873179 833773667 /nfs/dbraw/zinc/77/36/67/833773667.db2.gz QXUFNLOMVOVYIG-UONOGXRCSA-N 1 0 319.409 -0.321 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCF)C1 ZINC001184972567 833775982 /nfs/dbraw/zinc/77/59/82/833775982.db2.gz ZADFBWRWEPJSPV-LLVKDONJSA-N 1 0 314.361 -0.062 20 30 DBEDRO CC#CCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001185020639 833777703 /nfs/dbraw/zinc/77/77/03/833777703.db2.gz ZHFFNCMKJPANOO-GFCCVEGCSA-N 1 0 308.382 -0.174 20 30 DBEDRO C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cncnc1 ZINC001185127701 833780946 /nfs/dbraw/zinc/78/09/46/833780946.db2.gz IZLLONILATWFRM-DGCLKSJQSA-N 1 0 316.365 -0.590 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001185136972 833781685 /nfs/dbraw/zinc/78/16/85/833781685.db2.gz NSMHTPNMTOPPGB-HZPDHXFCSA-N 1 0 323.437 -0.064 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 ZINC001185183719 833782557 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C=C(C)C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1C ZINC001486088378 1013669508 /nfs/dbraw/zinc/66/95/08/1013669508.db2.gz HJEAXEFLHBHKFT-NEPJUHHUSA-N 1 0 318.443 -0.463 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)Cc1ccon1 ZINC001486107143 1013680344 /nfs/dbraw/zinc/68/03/44/1013680344.db2.gz XGMJTLUZZUWWGC-ZYHUDNBSSA-N 1 0 305.338 -0.564 20 30 DBEDRO CNC(=O)CCCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486106428 1013680394 /nfs/dbraw/zinc/68/03/94/1013680394.db2.gz IXVQHJVSAQFTNF-RYUDHWBXSA-N 1 0 323.397 -0.879 20 30 DBEDRO Cc1ccnn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486124265 1013689402 /nfs/dbraw/zinc/68/94/02/1013689402.db2.gz NKBBYHDZTDEWJE-STQMWFEESA-N 1 0 318.381 -0.590 20 30 DBEDRO Cc1nccn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486129542 1013691245 /nfs/dbraw/zinc/69/12/45/1013691245.db2.gz QPPJRPQXPIHHQP-AAEUAGOBSA-N 1 0 318.381 -0.590 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccnn2)C1 ZINC001486129634 1013692624 /nfs/dbraw/zinc/69/26/24/1013692624.db2.gz NSDCGTJXQWYNCZ-NEPJUHHUSA-N 1 0 301.350 -0.581 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]21 ZINC001486155525 1013698830 /nfs/dbraw/zinc/69/88/30/1013698830.db2.gz JQPFNGMRJOWOGM-MGPQQGTHSA-N 1 0 302.382 -0.087 20 30 DBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H]1C ZINC001486176524 1013707628 /nfs/dbraw/zinc/70/76/28/1013707628.db2.gz JYDBGKAHIHBFRX-RYUDHWBXSA-N 1 0 301.412 -0.472 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001486197153 1013708764 /nfs/dbraw/zinc/70/87/64/1013708764.db2.gz VJSDPDOPHJOYSB-KBPBESRZSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001486195683 1013708775 /nfs/dbraw/zinc/70/87/75/1013708775.db2.gz NONINKJNHMVZSH-STQMWFEESA-N 1 0 317.393 -0.044 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001486194548 1013708907 /nfs/dbraw/zinc/70/89/07/1013708907.db2.gz HPXSYCJLTSUTBV-WDEREUQCSA-N 1 0 305.338 -0.198 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001486220797 1013717332 /nfs/dbraw/zinc/71/73/32/1013717332.db2.gz OYKGUKFAIZGQKD-RYUDHWBXSA-N 1 0 318.381 -0.725 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001486198076 1013713483 /nfs/dbraw/zinc/71/34/83/1013713483.db2.gz ZJXHGXWCMHQPRZ-NEPJUHHUSA-N 1 0 304.350 -0.088 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001486210893 1013715020 /nfs/dbraw/zinc/71/50/20/1013715020.db2.gz QWOHVGFXVVKRLF-JYKNGBAOSA-N 1 0 320.393 -0.607 20 30 DBEDRO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001486222390 1013716989 /nfs/dbraw/zinc/71/69/89/1013716989.db2.gz YDAFXILELPZXEP-RYUDHWBXSA-N 1 0 320.397 -0.172 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001486220799 1013718122 /nfs/dbraw/zinc/71/81/22/1013718122.db2.gz OYKGUKFAIZGQKD-VXGBXAGGSA-N 1 0 318.381 -0.725 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC1(C)C ZINC001486229789 1013718633 /nfs/dbraw/zinc/71/86/33/1013718633.db2.gz ZEUPNJXZIAIEOR-CYBMUJFWSA-N 1 0 317.393 -0.092 20 30 DBEDRO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001486230321 1013722339 /nfs/dbraw/zinc/72/23/39/1013722339.db2.gz AMAHAUARDOCIOZ-LLVKDONJSA-N 1 0 306.366 -0.579 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001486231778 1013722608 /nfs/dbraw/zinc/72/26/08/1013722608.db2.gz QCBZQKGUFINQQV-KBPBESRZSA-N 1 0 312.410 -0.140 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CCOC)CC1(C)C ZINC001486236330 1013724136 /nfs/dbraw/zinc/72/41/36/1013724136.db2.gz QGQYPWYHVHJIJC-GFCCVEGCSA-N 1 0 316.423 -0.493 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CNS(=O)(=O)NC)CC1(C)C ZINC001486237580 1013724227 /nfs/dbraw/zinc/72/42/27/1013724227.db2.gz HEYUKKKIYOLXNP-LLVKDONJSA-N 1 0 318.443 -0.557 20 30 DBEDRO COCC1(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC1 ZINC001486238869 1013724458 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C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001479478764 1010295510 /nfs/dbraw/zinc/29/55/10/1010295510.db2.gz BEWBJDYHLIYKDI-BFHYXJOUSA-N 1 0 324.425 -0.183 20 30 DBEDRO C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC(=O)NCC)n1 ZINC001479602494 1010305840 /nfs/dbraw/zinc/30/58/40/1010305840.db2.gz OQSJAQGHEOJPEL-UHFFFAOYSA-N 1 0 319.365 -0.563 20 30 DBEDRO Cc1cnn(CC(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)c1 ZINC001497152230 1017292567 /nfs/dbraw/zinc/29/25/67/1017292567.db2.gz WTTSEFJVNCGQKJ-GFCCVEGCSA-N 1 0 306.370 -0.684 20 30 DBEDRO C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2nnc(C)[nH]2)n1 ZINC001479605333 1010309940 /nfs/dbraw/zinc/30/99/40/1010309940.db2.gz WSYKWAURGRGMFL-UHFFFAOYSA-N 1 0 315.337 -0.810 20 30 DBEDRO C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C)CC(N)=O)n1 ZINC001479607174 1010311816 /nfs/dbraw/zinc/31/18/16/1010311816.db2.gz NAFYDSAEKNAHEX-SECBINFHSA-N 1 0 307.354 -0.415 20 30 DBEDRO CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C)CC(N)=O)n1 ZINC001479607443 1010311865 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1010341798 /nfs/dbraw/zinc/34/17/98/1010341798.db2.gz GECLKUZLOHVOAK-OLZOCXBDSA-N 1 0 324.425 -0.087 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)[C@@H]1C ZINC001479702677 1010342604 /nfs/dbraw/zinc/34/26/04/1010342604.db2.gz BJVCVCCBTRXIBJ-WWGRRREGSA-N 1 0 324.425 -0.082 20 30 DBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001479727940 1010356200 /nfs/dbraw/zinc/35/62/00/1010356200.db2.gz RHYWIQRRIPRFHO-WOPDTQHZSA-N 1 0 306.366 -0.423 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001479761408 1010362351 /nfs/dbraw/zinc/36/23/51/1010362351.db2.gz ZUVDLMWIIGHILM-WDEREUQCSA-N 1 0 306.370 -0.690 20 30 DBEDRO C[C@@H](C#N)C(=O)NCCC[N@H+](C)CCCN1C(=O)CNC1=O ZINC001479762886 1010365336 /nfs/dbraw/zinc/36/53/36/1010365336.db2.gz YNNZSMBACAHTFF-NSHDSACASA-N 1 0 309.370 -0.474 20 30 DBEDRO COCC#CC[N@H+](C)CCCNC(=O)c1cccn2nnnc12 ZINC001479772924 1010373546 /nfs/dbraw/zinc/37/35/46/1010373546.db2.gz BMYANZHSOTVTAQ-UHFFFAOYSA-N 1 0 316.365 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1011163550 /nfs/dbraw/zinc/16/35/50/1011163550.db2.gz WYVBFPXUFYDUNY-QWHCGFSZSA-N 1 0 317.393 -0.042 20 30 DBEDRO Cc1ncc(CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C)o1 ZINC001482534891 1011172845 /nfs/dbraw/zinc/17/28/45/1011172845.db2.gz VETLLALUSVKQSR-CYBMUJFWSA-N 1 0 321.381 -0.104 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1cnc[nH]c1=O)C(C)C ZINC001482536914 1011173018 /nfs/dbraw/zinc/17/30/18/1011173018.db2.gz DILSJOVPJVASFJ-GFCCVEGCSA-N 1 0 321.381 -0.172 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1nc(C)c[nH]1)C(C)C ZINC001482559469 1011179627 /nfs/dbraw/zinc/17/96/27/1011179627.db2.gz ONDOGBMSSWUELN-LBPRGKRZSA-N 1 0 305.382 -0.188 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1nc(C)c[nH]1)C(C)C ZINC001482559468 1011181227 /nfs/dbraw/zinc/18/12/27/1011181227.db2.gz ONDOGBMSSWUELN-GFCCVEGCSA-N 1 0 305.382 -0.188 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1n[nH]cc1F)C(C)C ZINC001482555053 1011181715 /nfs/dbraw/zinc/18/17/15/1011181715.db2.gz ORQVTXUPMZOBPZ-NSHDSACASA-N 1 0 309.345 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320.397 -0.281 20 30 DBEDRO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)ccn1 ZINC001485166403 1013030880 /nfs/dbraw/zinc/03/08/80/1013030880.db2.gz BOBHSXGJEQHYFQ-MNOVXSKESA-N 1 0 319.365 -0.174 20 30 DBEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1n[nH]c2c1CCC2 ZINC001485167315 1013032751 /nfs/dbraw/zinc/03/27/51/1013032751.db2.gz FPFSSWMIELJFBL-ZJUUUORDSA-N 1 0 318.381 -0.365 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001485174260 1013039787 /nfs/dbraw/zinc/03/97/87/1013039787.db2.gz KBCZUAQFYHFYFI-VHSXEESVSA-N 1 0 320.349 -0.776 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccsc1 ZINC001496939595 1017111434 /nfs/dbraw/zinc/11/14/34/1017111434.db2.gz QSIJGXCLPGZOOO-CMPLNLGQSA-N 1 0 309.391 -0.434 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001496949199 1017123215 /nfs/dbraw/zinc/12/32/15/1017123215.db2.gz HVBAKIONIUMFJH-JQWIXIFHSA-N 1 0 324.356 -0.408 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC(F)(F)F)C1=O ZINC001496954423 1017128171 /nfs/dbraw/zinc/12/81/71/1017128171.db2.gz VFUPCACARWEMSK-ZJUUUORDSA-N 1 0 323.315 -0.208 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC001496955400 1017130652 /nfs/dbraw/zinc/13/06/52/1017130652.db2.gz PKOMKHQNQUEHIN-BXUZGUMPSA-N 1 0 305.382 -0.054 20 30 DBEDRO CCNC(=O)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001496968124 1017145820 /nfs/dbraw/zinc/14/58/20/1017145820.db2.gz IZGBQMZPQMPLHX-SNVBAGLBSA-N 1 0 324.406 -0.287 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001496971142 1017148436 /nfs/dbraw/zinc/14/84/36/1017148436.db2.gz ODZXDTNHZRRZGY-XHDPSFHLSA-N 1 0 315.414 -0.705 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001496975641 1017153232 /nfs/dbraw/zinc/15/32/32/1017153232.db2.gz IUQLWIAAWAUYGQ-NEPJUHHUSA-N 1 0 321.381 -0.844 20 30 DBEDRO COc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C#CC2CC2)c(C)n1 ZINC001496980037 1017161955 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C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001496989368 1017172596 /nfs/dbraw/zinc/17/25/96/1017172596.db2.gz AZHOCNBTLUGZRA-MNOVXSKESA-N 1 0 319.352 -0.209 20 30 DBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001496995870 1017176576 /nfs/dbraw/zinc/17/65/76/1017176576.db2.gz LIMZGHVCFORPEX-OLZOCXBDSA-N 1 0 318.439 -0.013 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCNC(=O)c1ccsc1 ZINC001496996642 1017180830 /nfs/dbraw/zinc/18/08/30/1017180830.db2.gz BLXCZOJGLXJZFT-LBPRGKRZSA-N 1 0 309.391 -0.432 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001497001005 1017182366 /nfs/dbraw/zinc/18/23/66/1017182366.db2.gz GHWIWORNQYKSJE-CYBMUJFWSA-N 1 0 303.362 -0.171 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1occ2c1CCC2 ZINC001497024178 1017204741 /nfs/dbraw/zinc/20/47/41/1017204741.db2.gz BRJOHWWXFBSGEU-LBPRGKRZSA-N 1 0 321.377 -0.249 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001497040642 1017217272 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N#Cc1ccc(C(=O)NC/C=C/C[NH2+][C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001497563667 1017422932 /nfs/dbraw/zinc/42/29/32/1017422932.db2.gz STOFNEHFZSBGOY-FMBMQGQPSA-N 1 0 315.333 -0.433 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)c1nccc(C)n1 ZINC001497568777 1017425216 /nfs/dbraw/zinc/42/52/16/1017425216.db2.gz LNJXYCMNJIAISZ-URWSZGRFSA-N 1 0 315.377 -0.201 20 30 DBEDRO C#CCOCCC(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497585477 1017432478 /nfs/dbraw/zinc/43/24/78/1017432478.db2.gz WKHUNVYFBMAWHA-VSQXVHSFSA-N 1 0 307.350 -0.907 20 30 DBEDRO C#CCOCCC(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497585475 1017432579 /nfs/dbraw/zinc/43/25/79/1017432579.db2.gz WKHUNVYFBMAWHA-MVZIDQBPSA-N 1 0 307.350 -0.907 20 30 DBEDRO C#CCOCCC(=O)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497585476 1017433065 /nfs/dbraw/zinc/43/30/65/1017433065.db2.gz WKHUNVYFBMAWHA-PCAWENJQSA-N 1 0 307.350 -0.907 20 30 DBEDRO Cc1cc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)c(C)nn1 ZINC001497591165 1017436144 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/nfs/dbraw/zinc/41/18/96/1024411896.db2.gz YKKCWUMAFJTLTN-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001566890917 1024412608 /nfs/dbraw/zinc/41/26/08/1024412608.db2.gz ZKDRSWFJYCDVQR-ZDUSSCGKSA-N 1 0 318.377 -0.205 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001566902420 1024413214 /nfs/dbraw/zinc/41/32/14/1024413214.db2.gz UEAFCXXADISIFP-CHWSQXEVSA-N 1 0 324.425 -0.372 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001566916718 1024419295 /nfs/dbraw/zinc/41/92/95/1024419295.db2.gz RREYCGPGOYGBIU-OLZOCXBDSA-N 1 0 305.378 -0.109 20 30 DBEDRO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001566927611 1024423452 /nfs/dbraw/zinc/42/34/52/1024423452.db2.gz SCRUWDXUGFTDFU-STQMWFEESA-N 1 0 315.439 -0.082 20 30 DBEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001566921317 1024423526 /nfs/dbraw/zinc/42/35/26/1024423526.db2.gz LCRPNPGMPZKOQX-LLVKDONJSA-N 1 0 306.370 -0.466 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCN(C)C(=O)C1 ZINC001566940771 1024426105 /nfs/dbraw/zinc/42/61/05/1024426105.db2.gz QEKIGQOIHRERET-CQSZACIVSA-N 1 0 308.426 -0.083 20 30 DBEDRO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001566927609 1024428588 /nfs/dbraw/zinc/42/85/88/1024428588.db2.gz SCRUWDXUGFTDFU-OLZOCXBDSA-N 1 0 315.439 -0.082 20 30 DBEDRO C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CN1CCNC(=O)C1 ZINC001566945347 1024435976 /nfs/dbraw/zinc/43/59/76/1024435976.db2.gz JAQKNLXUCOEHRI-CQSZACIVSA-N 1 0 308.426 -0.035 20 30 DBEDRO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001566959581 1024436212 /nfs/dbraw/zinc/43/62/12/1024436212.db2.gz FRXRTSWODBIXIW-NEPJUHHUSA-N 1 0 320.397 -0.220 20 30 DBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C ZINC001566971971 1024450197 /nfs/dbraw/zinc/45/01/97/1024450197.db2.gz YXMRFXYNKLPZOL-ODXJTPSBSA-N 1 0 307.394 -0.812 20 30 DBEDRO C#CC[NH2+]C1CCC(NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC001566988621 1024453932 /nfs/dbraw/zinc/45/39/32/1024453932.db2.gz LSPUDESSUXJQIT-UHFFFAOYSA-N 1 0 318.377 -0.423 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cn(C)nc1C ZINC001567004702 1024458014 /nfs/dbraw/zinc/45/80/14/1024458014.db2.gz RLOQHOOZZOODKZ-ZYHUDNBSSA-N 1 0 305.382 -0.426 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)c1ncc[nH]1 ZINC001567014198 1024463478 /nfs/dbraw/zinc/46/34/78/1024463478.db2.gz XPWZTIHLBDFZDN-SECBINFHSA-N 1 0 308.342 -0.871 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001567012167 1024465136 /nfs/dbraw/zinc/46/51/36/1024465136.db2.gz PVMRQEREGGTCDY-VHSXEESVSA-N 1 0 308.386 -0.599 20 30 DBEDRO C[C@H](CNC(=O)c1c(Cl)cnn1C)[NH2+]CC(=O)NCC#N ZINC001567017151 1024465425 /nfs/dbraw/zinc/46/54/25/1024465425.db2.gz VEBNDRFAEARSSD-MRVPVSSYSA-N 1 0 312.761 -0.579 20 30 DBEDRO C#CCCCC(=O)NC[C@@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001567012345 1024466123 /nfs/dbraw/zinc/46/61/23/1024466123.db2.gz SXDDBSPVFLKHMC-GFCCVEGCSA-N 1 0 320.393 -0.518 20 30 DBEDRO Cc1nn(C)cc1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001567021358 1024468743 /nfs/dbraw/zinc/46/87/43/1024468743.db2.gz AWYFURRWJZWLMV-SNVBAGLBSA-N 1 0 306.370 -0.995 20 30 DBEDRO C[C@@H](CNC(=O)c1cncc2[nH]cnc21)[NH2+]CC(=O)NCC#N ZINC001567020344 1024472503 /nfs/dbraw/zinc/47/25/03/1024472503.db2.gz ZWDTXAUZSSRYHX-VIFPVBQESA-N 1 0 315.337 -0.694 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1nc(CC)c[nH]1 ZINC001567025220 1024474365 /nfs/dbraw/zinc/47/43/65/1024474365.db2.gz UTTMBKWLXYAJJP-RYUDHWBXSA-N 1 0 319.409 -0.253 20 30 DBEDRO C[C@H](CNC(=O)c1ccc(N(C)C)nc1)[NH2+]CC(=O)NCC#N ZINC001567027704 1024474867 /nfs/dbraw/zinc/47/48/67/1024474867.db2.gz AHEJBGLFFVZOEP-LLVKDONJSA-N 1 0 318.381 -0.505 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001567025811 1024475299 /nfs/dbraw/zinc/47/52/99/1024475299.db2.gz PKZNVWFCSFQGOS-KOLCDFICSA-N 1 0 321.381 -0.081 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1snnc1CC ZINC001567034013 1024481254 /nfs/dbraw/zinc/48/12/54/1024481254.db2.gz WNJYFFABSGGOPS-UWVGGRQHSA-N 1 0 323.422 -0.054 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ncnc2[nH]ccc21 ZINC001567033058 1024481590 /nfs/dbraw/zinc/48/15/90/1024481590.db2.gz MLXUYQAETWLCTC-SNVBAGLBSA-N 1 0 314.349 -0.633 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001567036239 1024482649 /nfs/dbraw/zinc/48/26/49/1024482649.db2.gz QGOKRZSNNRIXGU-JTQLQIEISA-N 1 0 322.365 -0.606 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1cncc(C)c1 ZINC001567039533 1024482681 /nfs/dbraw/zinc/48/26/81/1024482681.db2.gz RZJMEINXIGPDJB-CYBMUJFWSA-N 1 0 302.378 -0.224 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(=O)c(OC)co1 ZINC001567034978 1024483192 /nfs/dbraw/zinc/48/31/92/1024483192.db2.gz HHJHKHRTXJGKFS-JTQLQIEISA-N 1 0 323.349 -0.342 20 30 DBEDRO C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]CC#Cc1ccccc1 ZINC001567049788 1024488121 /nfs/dbraw/zinc/48/81/21/1024488121.db2.gz QERFRXHQRDFMJS-OCCSQVGLSA-N 1 0 300.362 -0.186 20 30 DBEDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)[NH2+]CC(=O)NCC#N ZINC001567055653 1024491383 /nfs/dbraw/zinc/49/13/83/1024491383.db2.gz CBJSWVYBHQNPBX-KWCYVHTRSA-N 1 0 315.377 -0.081 20 30 DBEDRO C=CCC[NH2+][C@H](C)CNC(=O)Cn1ncn2nccc2c1=O ZINC001567058981 1024497303 /nfs/dbraw/zinc/49/73/03/1024497303.db2.gz DZKYUTLTEXKVHK-LLVKDONJSA-N 1 0 304.354 -0.439 20 30 DBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001567060266 1024498245 /nfs/dbraw/zinc/49/82/45/1024498245.db2.gz FKOTWVPLFSKKTL-LBPRGKRZSA-N 1 0 306.370 -0.704 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn(C(C)C)c1 ZINC001567068957 1024500640 /nfs/dbraw/zinc/50/06/40/1024500640.db2.gz HKGCMMWJXURRLE-GFCCVEGCSA-N 1 0 305.382 -0.079 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1cncn1C ZINC001567070822 1024503460 /nfs/dbraw/zinc/50/34/60/1024503460.db2.gz DANSVJQKUWWJQW-NWDGAFQWSA-N 1 0 307.398 -0.252 20 30 DBEDRO C#CCOCCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC)C1 ZINC001567086966 1024510839 /nfs/dbraw/zinc/51/08/39/1024510839.db2.gz RTIOEASCMJOIJN-AWEZNQCLSA-N 1 0 309.410 -0.009 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)COC)C1 ZINC001567086979 1024513920 /nfs/dbraw/zinc/51/39/20/1024513920.db2.gz RYVZSEKJLLQQIX-KGLIPLIRSA-N 1 0 309.410 -0.154 20 30 DBEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001567088829 1024514255 /nfs/dbraw/zinc/51/42/55/1024514255.db2.gz VFGJBQKOGDNGTE-GFCCVEGCSA-N 1 0 320.397 -0.522 20 30 DBEDRO Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)ncn1 ZINC001567092964 1024515183 /nfs/dbraw/zinc/51/51/83/1024515183.db2.gz KOJBVUTYCKGZQU-NSHDSACASA-N 1 0 302.338 -0.771 20 30 DBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001567086666 1024515402 /nfs/dbraw/zinc/51/54/02/1024515402.db2.gz MQPMULYLCZGYBU-GFCCVEGCSA-N 1 0 318.381 -0.614 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)COC)C1 ZINC001567086980 1024516356 /nfs/dbraw/zinc/51/63/56/1024516356.db2.gz RYVZSEKJLLQQIX-UONOGXRCSA-N 1 0 309.410 -0.154 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001567094348 1024517034 /nfs/dbraw/zinc/51/70/34/1024517034.db2.gz NNMURZZQNYSGFE-ZDUSSCGKSA-N 1 0 321.381 -0.622 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001567097983 1024518881 /nfs/dbraw/zinc/51/88/81/1024518881.db2.gz XLWJRBXGGRDVJS-XJKSGUPXSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001567094811 1024522990 /nfs/dbraw/zinc/52/29/90/1024522990.db2.gz UIZMVRLSDCKWHZ-WCQYABFASA-N 1 0 319.427 -0.947 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC001567118893 1024527645 /nfs/dbraw/zinc/52/76/45/1024527645.db2.gz ZSJPCBKGSOBIBL-AWEZNQCLSA-N 1 0 322.409 -0.119 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001567121269 1024528557 /nfs/dbraw/zinc/52/85/57/1024528557.db2.gz KLTJDSGQXBTEDT-ZDUSSCGKSA-N 1 0 322.409 -0.795 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001567118721 1024531383 /nfs/dbraw/zinc/53/13/83/1024531383.db2.gz WPTAUXMSKGTRRT-HUUCEWRRSA-N 1 0 309.410 -0.595 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCOCC#C)C1 ZINC001567123673 1024533370 /nfs/dbraw/zinc/53/33/70/1024533370.db2.gz RVWZWFQBJIWQRD-CABCVRRESA-N 1 0 319.405 -0.398 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](OCC)C2CC2)C1 ZINC001567125846 1024536490 /nfs/dbraw/zinc/53/64/90/1024536490.db2.gz XGVPVAFKLGDXJY-CZUORRHYSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](OCC)C2CC2)C1 ZINC001567125845 1024537833 /nfs/dbraw/zinc/53/78/33/1024537833.db2.gz XGVPVAFKLGDXJY-CJNGLKHVSA-N 1 0 321.421 -0.011 20 30 DBEDRO C=CCCn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H](C)C(N)=O)C2)nn1 ZINC001567144120 1024546795 /nfs/dbraw/zinc/54/67/95/1024546795.db2.gz UYCPURGWEMJWIF-NWDGAFQWSA-N 1 0 320.397 -0.220 20 30 DBEDRO C#Cc1ccc(C(=O)N2CC[C@@H](C[NH2+][C@H](C)C(N)=O)C2)cn1 ZINC001567148168 1024548749 /nfs/dbraw/zinc/54/87/49/1024548749.db2.gz OPYHQJVPPVQWQD-NEPJUHHUSA-N 1 0 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ZINC001571536507 1026062960 /nfs/dbraw/zinc/06/29/60/1026062960.db2.gz PXTXKBRKFVKAFJ-STQMWFEESA-N 1 0 320.393 -0.393 20 30 DBEDRO CC1(C)CN(C(=O)C[C@H]2CCOC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001571554054 1026066803 /nfs/dbraw/zinc/06/68/03/1026066803.db2.gz CBIGGMCOKYSAPX-CHWSQXEVSA-N 1 0 322.409 -0.121 20 30 DBEDRO CC1(C)CN(C(=O)c2cncnc2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001571556367 1026067936 /nfs/dbraw/zinc/06/79/36/1026067936.db2.gz VLZKCAVVOGBGJM-LBPRGKRZSA-N 1 0 316.365 -0.443 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1(C)C ZINC001571558385 1026068487 /nfs/dbraw/zinc/06/84/87/1026068487.db2.gz IOYHIDYBZRDJMY-ZIAGYGMSSA-N 1 0 321.421 -0.059 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001571556753 1026068947 /nfs/dbraw/zinc/06/89/47/1026068947.db2.gz BPRKWJLAIMPMTM-STQMWFEESA-N 1 0 309.410 -0.061 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1ccccn1 ZINC001571572311 1026073621 /nfs/dbraw/zinc/07/36/21/1026073621.db2.gz PCOAWOVGNBCARS-OLZOCXBDSA-N 1 0 320.393 -0.205 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC1CCCC1 ZINC001571574033 1026074454 /nfs/dbraw/zinc/07/44/54/1026074454.db2.gz WCPFPWJEJBTIQB-CQSZACIVSA-N 1 0 309.410 -0.275 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001571575086 1026075207 /nfs/dbraw/zinc/07/52/07/1026075207.db2.gz PTGDIDUSWGWFLK-CMPLNLGQSA-N 1 0 309.370 -0.877 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccoc1 ZINC001571575606 1026077669 /nfs/dbraw/zinc/07/76/69/1026077669.db2.gz ZZERHCVVBFVCOS-WCQYABFASA-N 1 0 307.350 -0.560 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc[nH]c1C ZINC001571577313 1026079277 /nfs/dbraw/zinc/07/92/77/1026079277.db2.gz GZRTWNITQADXDI-LBPRGKRZSA-N 1 0 308.382 -0.352 20 30 DBEDRO CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)s1)C(=O)CC(N)=O ZINC001571576888 1026080092 /nfs/dbraw/zinc/08/00/92/1026080092.db2.gz ZDBMHBSMKHUSJE-SECBINFHSA-N 1 0 310.379 -0.596 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[nH]c1C ZINC001571577312 1026080917 /nfs/dbraw/zinc/08/09/17/1026080917.db2.gz GZRTWNITQADXDI-GFCCVEGCSA-N 1 0 308.382 -0.352 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1C(=O)CC ZINC001571579758 1026082742 /nfs/dbraw/zinc/08/27/42/1026082742.db2.gz BMAZUCFLULUMQS-UONOGXRCSA-N 1 0 309.410 -0.180 20 30 DBEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001571578837 1026082890 /nfs/dbraw/zinc/08/28/90/1026082890.db2.gz JPJLXACYDYEGEM-LSDHHAIUSA-N 1 0 323.437 -0.029 20 30 DBEDRO Cc1cnccc1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001571578663 1026082921 /nfs/dbraw/zinc/08/29/21/1026082921.db2.gz HDBOXVWGQOWYGW-LBPRGKRZSA-N 1 0 319.365 -0.948 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccncc1C ZINC001571580053 1026083632 /nfs/dbraw/zinc/08/36/32/1026083632.db2.gz HTHYMPUUAVNVMR-MRXNPFEDSA-N 1 0 319.405 -0.009 20 30 DBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001571580753 1026086034 /nfs/dbraw/zinc/08/60/34/1026086034.db2.gz XEGWYROHHBQFNI-TZMCWYRMSA-N 1 0 308.382 -0.633 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001571581909 1026086514 /nfs/dbraw/zinc/08/65/14/1026086514.db2.gz VMOKOTWOGZZEQT-SNVBAGLBSA-N 1 0 300.309 -0.137 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1(COC)CCOCC1 ZINC001571582126 1026086992 /nfs/dbraw/zinc/08/69/92/1026086992.db2.gz ZWUNORWEJBEYMI-AWEZNQCLSA-N 1 0 312.410 -0.138 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001571582670 1026088363 /nfs/dbraw/zinc/08/83/63/1026088363.db2.gz KJTHRSMCTUYTGA-QWHCGFSZSA-N 1 0 320.393 -0.500 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(CN(C)C)on1 ZINC001571583493 1026089797 /nfs/dbraw/zinc/08/97/97/1026089797.db2.gz CIKCSKDKKIQWME-LBPRGKRZSA-N 1 0 308.382 -0.218 20 30 DBEDRO Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N)[nH]1 ZINC001571584552 1026089866 /nfs/dbraw/zinc/08/98/66/1026089866.db2.gz XUXXDBTWFMVCSU-GFCCVEGCSA-N 1 0 321.381 -0.706 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](OC)C1CCC1 ZINC001571585846 1026091238 /nfs/dbraw/zinc/09/12/38/1026091238.db2.gz BVSQXHOPFLGAED-HUUCEWRRSA-N 1 0 312.410 -0.140 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)C=CCC1 ZINC001571587965 1026092734 /nfs/dbraw/zinc/09/27/34/1026092734.db2.gz SVNQNEXNODZULD-XJKSGUPXSA-N 1 0 307.394 -0.499 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)c(C)nn(C)c1=O ZINC001571586579 1026093993 /nfs/dbraw/zinc/09/39/93/1026093993.db2.gz SINJSUHAVZUDHN-LBPRGKRZSA-N 1 0 306.366 -0.947 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F)C(=O)C(N)=O ZINC001571589121 1026098338 /nfs/dbraw/zinc/09/83/38/1026098338.db2.gz QNCVRMMAQXNALO-NSHDSACASA-N 1 0 308.313 -0.908 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2ncccn2n1 ZINC001571592776 1026100711 /nfs/dbraw/zinc/10/07/11/1026100711.db2.gz RHICDGBSIFPRAD-GFCCVEGCSA-N 1 0 301.350 -0.225 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC ZINC001571590770 1026102112 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-0.805 20 30 DBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001324080788 806943070 /nfs/dbraw/zinc/94/30/70/806943070.db2.gz KRKLROKBNGFAGI-XOBFJNJYSA-N 1 0 320.393 -0.512 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC001324087830 806943211 /nfs/dbraw/zinc/94/32/11/806943211.db2.gz JMTQUWVXIZYFMY-RYUDHWBXSA-N 1 0 318.381 -0.934 20 30 DBEDRO C=CCOCC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001324129167 806946263 /nfs/dbraw/zinc/94/62/63/806946263.db2.gz KVYJNBJNNDFWCN-NWDGAFQWSA-N 1 0 309.366 -0.425 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(C)c1N ZINC001324144874 806946775 /nfs/dbraw/zinc/94/67/75/806946775.db2.gz BUNAORPFTGAVFU-LBPRGKRZSA-N 1 0 305.382 -0.154 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1nnc[nH]1 ZINC001324143624 806947033 /nfs/dbraw/zinc/94/70/33/806947033.db2.gz NITGXOFWAVRFQR-GFCCVEGCSA-N 1 0 320.397 -0.380 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1n[nH]nc1C ZINC001324207140 806952005 /nfs/dbraw/zinc/95/20/05/806952005.db2.gz OZMRSZVPPJYSSI-NEPJUHHUSA-N 1 0 318.381 -0.555 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001324250336 806956724 /nfs/dbraw/zinc/95/67/24/806956724.db2.gz OHSBNZAPMGXOLF-NSHDSACASA-N 1 0 304.350 -0.047 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CS(=O)(=O)N(C)C ZINC001324264012 806957408 /nfs/dbraw/zinc/95/74/08/806957408.db2.gz QSGNQHZPVQHPEU-LBPRGKRZSA-N 1 0 301.412 -0.518 20 30 DBEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001324273733 806958452 /nfs/dbraw/zinc/95/84/52/806958452.db2.gz ORNBUJZEDCGEGW-VXGBXAGGSA-N 1 0 301.412 -0.165 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001324276473 806959069 /nfs/dbraw/zinc/95/90/69/806959069.db2.gz IXDHAMAGKLWMIT-STQMWFEESA-N 1 0 320.397 -0.451 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001324277720 806959124 /nfs/dbraw/zinc/95/91/24/806959124.db2.gz QUNSBKZBRTXANR-SNVBAGLBSA-N 1 0 314.773 -0.129 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001324291772 806960760 /nfs/dbraw/zinc/96/07/60/806960760.db2.gz LWTRRCUMHJEEIT-QWHCGFSZSA-N 1 0 321.377 -0.730 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001324291773 806960864 /nfs/dbraw/zinc/96/08/64/806960864.db2.gz LWTRRCUMHJEEIT-STQMWFEESA-N 1 0 321.377 -0.730 20 30 DBEDRO C#CCN(C(=O)[C@H](C)OC)C1CC[NH+](CCOCCO)CC1 ZINC001324374911 806968483 /nfs/dbraw/zinc/96/84/83/806968483.db2.gz VUGJLLHWDLMKSS-AWEZNQCLSA-N 1 0 312.410 -0.044 20 30 DBEDRO C#CCN(C(=O)CCCCNC(N)=O)C1CC[NH+](CCO)CC1 ZINC001324395646 806971436 /nfs/dbraw/zinc/97/14/36/806971436.db2.gz GDYKLBUQKURWKF-UHFFFAOYSA-N 1 0 324.425 -0.257 20 30 DBEDRO C#CC[NH2+]C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCC1 ZINC001324482807 806978553 /nfs/dbraw/zinc/97/85/53/806978553.db2.gz OBBONVIJVVMNRK-ZDUSSCGKSA-N 1 0 318.377 -0.153 20 30 DBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001324662184 806998083 /nfs/dbraw/zinc/99/80/83/806998083.db2.gz RLKRNWHEOXKIDZ-HNNXBMFYSA-N 1 0 304.350 -0.047 20 30 DBEDRO C[C@@]1(C[NH2+]CC(=O)NCC#N)CCN(C(=O)c2cn[nH]c2)C1 ZINC001324696853 807001439 /nfs/dbraw/zinc/00/14/39/807001439.db2.gz ZAIXLGZVSSVKHS-AWEZNQCLSA-N 1 0 304.354 -0.509 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001324741704 807003618 /nfs/dbraw/zinc/00/36/18/807003618.db2.gz NMULEFPPGXFECE-MRXNPFEDSA-N 1 0 324.425 -0.372 20 30 DBEDRO COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001324742089 807003879 /nfs/dbraw/zinc/00/38/79/807003879.db2.gz QKCKHUWAFUFDST-RHSMWYFYSA-N 1 0 321.421 -0.009 20 30 DBEDRO C=CCN1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001035445230 814941446 /nfs/dbraw/zinc/94/14/46/814941446.db2.gz BEOCZRPSZIGIHP-GWUWNPHMSA-N 1 0 321.421 -0.147 20 30 DBEDRO C#CCN1CCO[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001035445794 814942235 /nfs/dbraw/zinc/94/22/35/814942235.db2.gz GJTKSUUXVRXDDM-GYMHETDLSA-N 1 0 319.405 -0.700 20 30 DBEDRO C#CCCN1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035484059 814953578 /nfs/dbraw/zinc/95/35/78/814953578.db2.gz WSCWGZGGTQKJNS-CVEARBPZSA-N 1 0 323.437 -0.064 20 30 DBEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 ZINC001035484325 814954382 /nfs/dbraw/zinc/95/43/82/814954382.db2.gz ZPGDPOKBQYYTBO-KBPBESRZSA-N 1 0 310.398 -0.564 20 30 DBEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001278007510 803740823 /nfs/dbraw/zinc/74/08/23/803740823.db2.gz WQOHWEMXTVOXAZ-NSHDSACASA-N 1 0 306.370 -0.466 20 30 DBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCCN1C(=O)CNC1=O ZINC001278009989 803741274 /nfs/dbraw/zinc/74/12/74/803741274.db2.gz GZLBSWGPSCPWCK-LBPRGKRZSA-N 1 0 308.382 -0.222 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001278024882 803742330 /nfs/dbraw/zinc/74/23/30/803742330.db2.gz JMJRGRDOUHHYSE-KGLIPLIRSA-N 1 0 319.409 -0.073 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccc(C)nc1 ZINC001278047797 803747315 /nfs/dbraw/zinc/74/73/15/803747315.db2.gz HXTGWQCVCKPFOL-TZMCWYRMSA-N 1 0 320.393 -0.239 20 30 DBEDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)cc1C#N ZINC001278061965 803748794 /nfs/dbraw/zinc/74/87/94/803748794.db2.gz OFTFJELARAUGCR-LBPRGKRZSA-N 1 0 320.349 -0.991 20 30 DBEDRO C#CCCCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001278069695 803750535 /nfs/dbraw/zinc/75/05/35/803750535.db2.gz CWBODQHRHOQXTH-NEPJUHHUSA-N 1 0 309.366 -0.948 20 30 DBEDRO CC(C)(C)C#CC(=O)NC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001278078218 803750981 /nfs/dbraw/zinc/75/09/81/803750981.db2.gz SXDOXHPTQSGYOU-ZIAGYGMSSA-N 1 0 322.409 -0.640 20 30 DBEDRO CC(C)(C)C#CC(=O)NC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC001278078159 803751314 /nfs/dbraw/zinc/75/13/14/803751314.db2.gz SXDOXHPTQSGYOU-KBPBESRZSA-N 1 0 322.409 -0.640 20 30 DBEDRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(C)(C)C ZINC001278077071 803751456 /nfs/dbraw/zinc/75/14/56/803751456.db2.gz FNDLCXJGBMBPJH-YPMHNXCESA-N 1 0 309.410 -0.230 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001278092451 803752548 /nfs/dbraw/zinc/75/25/48/803752548.db2.gz ABRNJHLYNOWLMN-LBPRGKRZSA-N 1 0 304.350 -0.256 20 30 DBEDRO CC(C)(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001278094215 803753022 /nfs/dbraw/zinc/75/30/22/803753022.db2.gz UEQXCSYEKCAIOJ-CYBMUJFWSA-N 1 0 324.425 -0.091 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001278094742 803753136 /nfs/dbraw/zinc/75/31/36/803753136.db2.gz YSMFPTRMORJWNI-GXTWGEPZSA-N 1 0 302.378 -0.329 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC12CC2 ZINC001278100091 803754152 /nfs/dbraw/zinc/75/41/52/803754152.db2.gz SXAPMCKOWCLVNE-NEPJUHHUSA-N 1 0 308.382 -0.727 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nc2ncc(C)cn2n1 ZINC001278099263 803754453 /nfs/dbraw/zinc/75/44/53/803754453.db2.gz HMPQPHGTMVSUFU-LLVKDONJSA-N 1 0 302.338 -0.864 20 30 DBEDRO CC(C)(C(N)=O)C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278099466 803754693 /nfs/dbraw/zinc/75/46/93/803754693.db2.gz LGMLWLICRWSIRN-CQSZACIVSA-N 1 0 317.389 -0.384 20 30 DBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001278113129 803756196 /nfs/dbraw/zinc/75/61/96/803756196.db2.gz SBWCGRNQWQOFQL-RYUDHWBXSA-N 1 0 304.412 -0.546 20 30 DBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001278113130 803756560 /nfs/dbraw/zinc/75/65/60/803756560.db2.gz SBWCGRNQWQOFQL-VXGBXAGGSA-N 1 0 304.412 -0.546 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001278119084 803757076 /nfs/dbraw/zinc/75/70/76/803757076.db2.gz HDEQRQJHGXHASL-RYUDHWBXSA-N 1 0 302.396 -0.956 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001278119083 803757154 /nfs/dbraw/zinc/75/71/54/803757154.db2.gz HDEQRQJHGXHASL-NWDGAFQWSA-N 1 0 302.396 -0.956 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1occ2c1CCOC2 ZINC001278119464 803757460 /nfs/dbraw/zinc/75/74/60/803757460.db2.gz KDERSPGBHZUVAT-ZDUSSCGKSA-N 1 0 322.361 -0.318 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC1(C)C 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20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001278178249 803764362 /nfs/dbraw/zinc/76/43/62/803764362.db2.gz DUUQRUIWCINEDS-STQMWFEESA-N 1 0 321.381 -0.982 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001278186780 803765365 /nfs/dbraw/zinc/76/53/65/803765365.db2.gz JJRBKIRFBVUUSE-MGPQQGTHSA-N 1 0 309.410 -0.371 20 30 DBEDRO C#CCN(C(=O)CCn1cnnn1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001278188789 803766495 /nfs/dbraw/zinc/76/64/95/803766495.db2.gz VTORPYVEIXLPSS-CYBMUJFWSA-N 1 0 320.397 -0.630 20 30 DBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001278196358 803766723 /nfs/dbraw/zinc/76/67/23/803766723.db2.gz YJJYSJBIDLQQRK-ZDUSSCGKSA-N 1 0 316.365 -0.081 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1c(C)n[nH]c1C ZINC001278194546 803766726 /nfs/dbraw/zinc/76/67/26/803766726.db2.gz JDFJKXKNCOGRCL-CQSZACIVSA-N 1 0 322.409 -0.324 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)CC1CCCCC1 ZINC001278213654 803767059 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C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC001278252452 803770766 /nfs/dbraw/zinc/77/07/66/803770766.db2.gz VTRMTBPQSGLHES-VXGBXAGGSA-N 1 0 320.397 -0.078 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H]1C ZINC001278265305 803772717 /nfs/dbraw/zinc/77/27/17/803772717.db2.gz WPDBGWQQOKLQSU-VXGBXAGGSA-N 1 0 301.412 -0.472 20 30 DBEDRO C[C@@H](C#N)S(=O)(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001278265184 803772874 /nfs/dbraw/zinc/77/28/74/803772874.db2.gz BLPJWQRCJJCOBM-RWMBFGLXSA-N 1 0 316.427 -0.825 20 30 DBEDRO C[C@H](C#N)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278265913 803773051 /nfs/dbraw/zinc/77/30/51/803773051.db2.gz IVBAJQCQVOPRPP-UPJWGTAASA-N 1 0 300.428 -0.062 20 30 DBEDRO C#CCC[NH2+]C[C@@H](NC(=O)CS(=O)(=O)NC)C1CCCC1 ZINC001278289460 803774482 /nfs/dbraw/zinc/77/44/82/803774482.db2.gz TVGXGDXBCFBGRP-CYBMUJFWSA-N 1 0 315.439 -0.177 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)[C@@H]1C ZINC001278317283 803777460 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DBEDRO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001278608898 803801941 /nfs/dbraw/zinc/80/19/41/803801941.db2.gz RQEPRCWSVOWLAH-STQMWFEESA-N 1 0 320.393 -0.174 20 30 DBEDRO C#CCC[NH2+][C@H]1CN(C(=O)CN(C)C(=O)COC)CC1(C)C ZINC001278644171 803802802 /nfs/dbraw/zinc/80/28/02/803802802.db2.gz BZTHUNUQJSHMSM-ZDUSSCGKSA-N 1 0 309.410 -0.059 20 30 DBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CCn2ncn(C)c2=O)CC1(C)C ZINC001278657186 803803872 /nfs/dbraw/zinc/80/38/72/803803872.db2.gz WIGANYKWYKLXEE-ZDUSSCGKSA-N 1 0 319.409 -0.178 20 30 DBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H](C)S(C)(=O)=O)CCOCC1 ZINC001278710597 803807182 /nfs/dbraw/zinc/80/71/82/803807182.db2.gz BNMIVSBHDQLZPW-LLVKDONJSA-N 1 0 302.396 -0.692 20 30 DBEDRO CC(C)C#CC(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1 ZINC001278707093 803807391 /nfs/dbraw/zinc/80/73/91/803807391.db2.gz BYFLCSRIWJOSQT-UHFFFAOYSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCC[NH2+]C1(CNC(=O)CS(C)(=O)=O)CCOCC1 ZINC001278699203 803807804 /nfs/dbraw/zinc/80/78/04/803807804.db2.gz 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FYMAKECNNVYVEO-CABCVRRESA-N 1 0 322.453 -0.050 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001129790901 830211697 /nfs/dbraw/zinc/21/16/97/830211697.db2.gz NEFQNVJGJYABPD-HIFRSBDPSA-N 1 0 320.437 -0.296 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC#C)C[C@@H]1n1ccnn1 ZINC001129829602 830216816 /nfs/dbraw/zinc/21/68/16/830216816.db2.gz KDANFDVBQASOMJ-ZNMIVQPWSA-N 1 0 315.377 -0.319 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC#C)C[C@@H]1n1ccnn1 ZINC001129837600 830217482 /nfs/dbraw/zinc/21/74/82/830217482.db2.gz GZNWWKISWJMHBF-MCIONIFRSA-N 1 0 301.350 -0.709 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@]2(CC)CCNC2=O)C1=O ZINC001129872401 830221387 /nfs/dbraw/zinc/22/13/87/830221387.db2.gz XMACQOOYCAYAHU-LRDDRELGSA-N 1 0 322.409 -0.605 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001129888913 830224169 /nfs/dbraw/zinc/22/41/69/830224169.db2.gz JYYRRTOYQBNGJA-CQSZACIVSA-N 1 0 317.393 -0.199 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnn2c1CCCC2 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318.324 -0.251 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2nc[nH]c2n1 ZINC001130122116 830266967 /nfs/dbraw/zinc/26/69/67/830266967.db2.gz KVLJVEVKWVGEQF-SNVBAGLBSA-N 1 0 316.365 -0.032 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001130127039 830269762 /nfs/dbraw/zinc/26/97/62/830269762.db2.gz RHGYNHSANDZAHK-NSHDSACASA-N 1 0 319.365 -0.744 20 30 DBEDRO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130151276 830270713 /nfs/dbraw/zinc/27/07/13/830270713.db2.gz MAVUJUQUQNHGMK-MCIONIFRSA-N 1 0 323.397 -0.407 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 ZINC001130151265 830271158 /nfs/dbraw/zinc/27/11/58/830271158.db2.gz LMTGOJWJCGCMGM-KGLIPLIRSA-N 1 0 313.365 -0.460 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130184335 830277967 /nfs/dbraw/zinc/27/79/67/830277967.db2.gz MCVULGPHNMHURF-JHJVBQTASA-N 1 0 312.414 -0.898 20 30 DBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)c1ccncc1 ZINC001130195620 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318.377 -0.193 20 30 DBEDRO Cn1nc(C(C)(C)C)cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133311817 830766401 /nfs/dbraw/zinc/76/64/01/830766401.db2.gz IVNXYTDYRRMLRI-UHFFFAOYSA-N 1 0 320.397 -0.323 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133332898 830767566 /nfs/dbraw/zinc/76/75/66/830767566.db2.gz ARTIESQCZKZLHV-NWDGAFQWSA-N 1 0 301.412 -0.757 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133334385 830768492 /nfs/dbraw/zinc/76/84/92/830768492.db2.gz WSMFHRTVKGSIOX-STQMWFEESA-N 1 0 315.439 -0.367 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133334382 830768759 /nfs/dbraw/zinc/76/87/59/830768759.db2.gz WSMFHRTVKGSIOX-CHWSQXEVSA-N 1 0 315.439 -0.367 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001133336549 830769690 /nfs/dbraw/zinc/76/96/90/830769690.db2.gz CDXQNKFVMHTKES-NWDGAFQWSA-N 1 0 320.397 -0.363 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133337453 830769695 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C#Cc1cncc(C(=O)NCC[NH2+]CCN2CCNC2=O)c1 ZINC001133593147 830790772 /nfs/dbraw/zinc/79/07/72/830790772.db2.gz QGBAXUKJECYRLZ-UHFFFAOYSA-N 1 0 301.350 -0.593 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)c1 ZINC001133597378 830790986 /nfs/dbraw/zinc/79/09/86/830790986.db2.gz PRVPMQGMHLGEOZ-UHFFFAOYSA-N 1 0 314.345 -0.469 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCCC1=O ZINC001133636034 830799699 /nfs/dbraw/zinc/79/96/99/830799699.db2.gz BGWPFPJQYRJBMZ-OLZOCXBDSA-N 1 0 322.409 -0.769 20 30 DBEDRO C[C@H](Oc1cccnc1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133632583 830799938 /nfs/dbraw/zinc/79/99/38/830799938.db2.gz WERBTKDBXPQVGI-NSHDSACASA-N 1 0 305.338 -0.806 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CN1CCCC1=O ZINC001133633095 830800106 /nfs/dbraw/zinc/80/01/06/830800106.db2.gz NKFIIQIFQBCFNM-RYUDHWBXSA-N 1 0 323.397 -0.879 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC2(CC2)C1 ZINC001133646417 830801699 /nfs/dbraw/zinc/80/16/99/830801699.db2.gz JWUDTHVIPICTFY-UHFFFAOYSA-N 1 0 308.382 -0.106 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001133659673 830803385 /nfs/dbraw/zinc/80/33/85/830803385.db2.gz GAVQGJPZAOSWMI-JTQLQIEISA-N 1 0 304.354 -0.825 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC001133674633 830806525 /nfs/dbraw/zinc/80/65/25/830806525.db2.gz GRKVCEIVLBKFAM-NEPJUHHUSA-N 1 0 306.370 -0.604 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cn1cccn1 ZINC001133674636 830806603 /nfs/dbraw/zinc/80/66/03/830806603.db2.gz GRKVCEIVLBKFAM-VXGBXAGGSA-N 1 0 306.370 -0.604 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCCC(=O)N2)C1=O ZINC001133681133 830807398 /nfs/dbraw/zinc/80/73/98/830807398.db2.gz ISWWPVGBBRAGBA-CHWSQXEVSA-N 1 0 322.409 -0.462 20 30 DBEDRO Cc1c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cnn1C ZINC001133708244 830812989 /nfs/dbraw/zinc/81/29/89/830812989.db2.gz RQNDQEZSNNUNFM-WDEREUQCSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]CC(=O)NCC#N ZINC001133759317 830819729 /nfs/dbraw/zinc/81/97/29/830819729.db2.gz ROKCJUGWDGEDKQ-NEPJUHHUSA-N 1 0 321.385 -0.819 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cncn1 ZINC001133758804 830819893 /nfs/dbraw/zinc/81/98/93/830819893.db2.gz NYNYTQOCDDAHMP-STQMWFEESA-N 1 0 322.413 -0.157 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cncn1 ZINC001133758802 830820512 /nfs/dbraw/zinc/82/05/12/830820512.db2.gz NYNYTQOCDDAHMP-QWHCGFSZSA-N 1 0 322.413 -0.157 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)C1CC1 ZINC001133774745 830823746 /nfs/dbraw/zinc/82/37/46/830823746.db2.gz QZIINTRORKMZAX-WDEREUQCSA-N 1 0 323.397 -0.975 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnsn1 ZINC001133779197 830825048 /nfs/dbraw/zinc/82/50/48/830825048.db2.gz LWYQKVMPGILMAH-DTWKUNHWSA-N 1 0 310.383 -0.336 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cccnc1C ZINC001133804378 830829399 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DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC(=O)NCC ZINC001133904041 830852370 /nfs/dbraw/zinc/85/23/70/830852370.db2.gz BFZUWLBCLXVUQG-STQMWFEESA-N 1 0 324.425 -0.475 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133910320 830853370 /nfs/dbraw/zinc/85/33/70/830853370.db2.gz YPGXUGMHSWICOC-VHSXEESVSA-N 1 0 300.359 -0.743 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCc2cnn(C)n2)C1=O ZINC001133918389 830855622 /nfs/dbraw/zinc/85/56/22/830855622.db2.gz SOZKHBPGGREJHL-ZDUSSCGKSA-N 1 0 320.397 -0.760 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCCOC ZINC001133926829 830859031 /nfs/dbraw/zinc/85/90/31/830859031.db2.gz NKRGVEWXXYEQDC-STQMWFEESA-N 1 0 315.414 -0.176 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O ZINC001133936539 830859350 /nfs/dbraw/zinc/85/93/50/830859350.db2.gz RWKSFFDIWVTNJR-AGIUHOORSA-N 1 0 322.409 -0.619 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O ZINC001133936540 830859491 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/nfs/dbraw/zinc/88/39/26/830883926.db2.gz PUCQPAFXSQTKQW-NEPJUHHUSA-N 1 0 319.409 -0.117 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134061894 830884906 /nfs/dbraw/zinc/88/49/06/830884906.db2.gz IOFMXBTXNYXPOJ-MJBXVCDLSA-N 1 0 308.382 -0.459 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)cn1 ZINC001134098625 830888501 /nfs/dbraw/zinc/88/85/01/830888501.db2.gz DMGIYSDUKGJTJG-GHMZBOCLSA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134129394 830895041 /nfs/dbraw/zinc/89/50/41/830895041.db2.gz IZDKYHZRGLTQDT-FPMFFAJLSA-N 1 0 317.393 -0.633 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001134130202 830895061 /nfs/dbraw/zinc/89/50/61/830895061.db2.gz DSRPBMJRKQYNHQ-NEPJUHHUSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001134130297 830895576 /nfs/dbraw/zinc/89/55/76/830895576.db2.gz FWJDAACOXAKUMW-VXGBXAGGSA-N 1 0 322.409 -0.723 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134129395 830895664 /nfs/dbraw/zinc/89/56/64/830895664.db2.gz IZDKYHZRGLTQDT-KWCYVHTRSA-N 1 0 317.393 -0.633 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001134130046 830895829 /nfs/dbraw/zinc/89/58/29/830895829.db2.gz BIZLWEFJMSJMDK-NEPJUHHUSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC(=O)NC ZINC001134131279 830896607 /nfs/dbraw/zinc/89/66/07/830896607.db2.gz TXOYIESRXYHFIS-OLZOCXBDSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001134131019 830896917 /nfs/dbraw/zinc/89/69/17/830896917.db2.gz PLAFEUIGNIWFHJ-MNOVXSKESA-N 1 0 320.397 -0.374 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001134138329 830898332 /nfs/dbraw/zinc/89/83/32/830898332.db2.gz GIWWUBRBROULSL-IUCAKERBSA-N 1 0 320.353 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)no1 ZINC001134139752 830900328 /nfs/dbraw/zinc/90/03/28/830900328.db2.gz SOJZWRWSXWVZHK-GHMZBOCLSA-N 1 0 322.365 -0.081 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COc1cccc(OC)c1 ZINC001134144837 830900526 /nfs/dbraw/zinc/90/05/26/830900526.db2.gz DOBVTSKSBOUVJM-UHFFFAOYSA-N 1 0 319.361 -0.471 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134152448 830901666 /nfs/dbraw/zinc/90/16/66/830901666.db2.gz OKVKJNPOPXDTLP-MNOVXSKESA-N 1 0 320.397 -0.762 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cncnc1 ZINC001134153101 830901779 /nfs/dbraw/zinc/90/17/79/830901779.db2.gz VMLDFPPVEBXDFV-VXGBXAGGSA-N 1 0 303.366 -0.288 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001134157067 830901971 /nfs/dbraw/zinc/90/19/71/830901971.db2.gz URTFQJJGNCSCNV-IUCAKERBSA-N 1 0 320.353 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1=CCOCC1 ZINC001134163505 830902713 /nfs/dbraw/zinc/90/27/13/830902713.db2.gz BMJKYUBUWOPVSM-STQMWFEESA-N 1 0 307.394 -0.045 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CC)NC(C)=O)C1=O ZINC001134175550 830905138 /nfs/dbraw/zinc/90/51/38/830905138.db2.gz WEPFCWSDRCLGNH-STQMWFEESA-N 1 0 310.398 -0.606 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CC)NC(C)=O)C1=O ZINC001134175548 830905181 /nfs/dbraw/zinc/90/51/81/830905181.db2.gz WEPFCWSDRCLGNH-OLZOCXBDSA-N 1 0 310.398 -0.606 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)NC(C)=O)C1=O ZINC001134175549 830905193 /nfs/dbraw/zinc/90/51/93/830905193.db2.gz WEPFCWSDRCLGNH-QWHCGFSZSA-N 1 0 310.398 -0.606 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1ccnn1 ZINC001134193838 830907344 /nfs/dbraw/zinc/90/73/44/830907344.db2.gz PMXUZNLRSSNJGR-VXGBXAGGSA-N 1 0 321.385 -0.819 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134193678 830907501 /nfs/dbraw/zinc/90/75/01/830907501.db2.gz OXIUKNIIXADXGZ-CHWSQXEVSA-N 1 0 322.413 -0.157 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc(=O)n(C)o1 ZINC001134219566 830910228 /nfs/dbraw/zinc/91/02/28/830910228.db2.gz OUWQVAALSLSQCL-NXEZZACHSA-N 1 0 323.353 -0.895 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cncnc1 ZINC001134218277 830910329 /nfs/dbraw/zinc/91/03/29/830910329.db2.gz BJBGPWUGPKNVLM-QWHCGFSZSA-N 1 0 317.393 -0.359 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1cncnc1)[NH2+]CC(=O)NCC#N ZINC001134228005 830911318 /nfs/dbraw/zinc/91/13/18/830911318.db2.gz LNWZEFDBPCNDEV-NEPJUHHUSA-N 1 0 318.381 -0.468 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccnn1C ZINC001134223403 830911668 /nfs/dbraw/zinc/91/16/68/830911668.db2.gz FVTHOKGCTYEFGD-VXGBXAGGSA-N 1 0 320.397 -0.525 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134244795 830914840 /nfs/dbraw/zinc/91/48/40/830914840.db2.gz QCAINKBRDMBQNV-WDEREUQCSA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134260180 830915001 /nfs/dbraw/zinc/91/50/01/830915001.db2.gz IMJHTFKFKNSOOX-GHMZBOCLSA-N 1 0 306.370 -0.949 20 30 DBEDRO CCn1ncc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134265226 830915548 /nfs/dbraw/zinc/91/55/48/830915548.db2.gz KWSAWANQYUHQMQ-MNOVXSKESA-N 1 0 321.385 -0.576 20 30 DBEDRO CNC(=O)NCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134269209 830916065 /nfs/dbraw/zinc/91/60/65/830916065.db2.gz FJQWLUHDMLKUJX-CHWSQXEVSA-N 1 0 312.414 -0.172 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134288404 830917844 /nfs/dbraw/zinc/91/78/44/830917844.db2.gz HUWVENLWFIVJBW-MNOVXSKESA-N 1 0 306.370 -0.949 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C#CC1CC1 ZINC001134319242 830922065 /nfs/dbraw/zinc/92/20/65/830922065.db2.gz YJVJCXFDEYFTCP-QWRGUYRKSA-N 1 0 308.382 -0.272 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC12CC2 ZINC001134324094 830922743 /nfs/dbraw/zinc/92/27/43/830922743.db2.gz UFMVBQCCYPVQLI-WDEREUQCSA-N 1 0 308.382 -0.107 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C#CC1CC1 ZINC001134323125 830922760 /nfs/dbraw/zinc/92/27/60/830922760.db2.gz YQNXAGVHUSXCFX-NWDGAFQWSA-N 1 0 320.393 -0.176 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C#CC1CC1 ZINC001134325878 830922875 /nfs/dbraw/zinc/92/28/75/830922875.db2.gz JPNGHBIATZSNLD-QWRGUYRKSA-N 1 0 305.382 -0.105 20 30 DBEDRO Cc1cn(C)nc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134335189 830923852 /nfs/dbraw/zinc/92/38/52/830923852.db2.gz ZGFQUEUOKQCDGD-VXGBXAGGSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001134335843 830923956 /nfs/dbraw/zinc/92/39/56/830923956.db2.gz CVOBPYGVXXXEJA-STQMWFEESA-N 1 0 319.409 -0.415 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnnc2ccccc21 ZINC001134348512 830924673 /nfs/dbraw/zinc/92/46/73/830924673.db2.gz STHRPVITKYGNTI-UHFFFAOYSA-N 1 0 312.333 -0.411 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351120 830924783 /nfs/dbraw/zinc/92/47/83/830924783.db2.gz CCPLHXHZHDQAFK-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001134356190 830927509 /nfs/dbraw/zinc/92/75/09/830927509.db2.gz NVECVYVRBXDQRX-MNOVXSKESA-N 1 0 322.413 -0.169 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134372220 830929401 /nfs/dbraw/zinc/92/94/01/830929401.db2.gz GPYINWNOZVBKIS-CHWSQXEVSA-N 1 0 308.382 -0.461 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001134373072 830929625 /nfs/dbraw/zinc/92/96/25/830929625.db2.gz QVHPDJXCTCASIY-VXGBXAGGSA-N 1 0 308.386 -0.377 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cccc(F)c1F ZINC001134400690 830934226 /nfs/dbraw/zinc/93/42/26/830934226.db2.gz NIXCREOWDNFRSY-UHFFFAOYSA-N 1 0 309.316 -0.038 20 30 DBEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399096 830934317 /nfs/dbraw/zinc/93/43/17/830934317.db2.gz KCLULXXDLNTZJG-QWRGUYRKSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CCC2 ZINC001134445391 830936387 /nfs/dbraw/zinc/93/63/87/830936387.db2.gz XQIOHEGOALEMFW-LLVKDONJSA-N 1 0 308.382 -0.106 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001134460633 830938046 /nfs/dbraw/zinc/93/80/46/830938046.db2.gz GCVAUFKRVFYAIP-LBPRGKRZSA-N 1 0 315.333 -0.638 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134461848 830938835 /nfs/dbraw/zinc/93/88/35/830938835.db2.gz NXZZXLLKARHFNS-NWDGAFQWSA-N 1 0 308.386 -0.547 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499468 830940538 /nfs/dbraw/zinc/94/05/38/830940538.db2.gz DBPHNUUDSUDQOU-VXGBXAGGSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499465 830940642 /nfs/dbraw/zinc/94/06/42/830940642.db2.gz DBPHNUUDSUDQOU-NEPJUHHUSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134503587 830941799 /nfs/dbraw/zinc/94/17/99/830941799.db2.gz PXTRMYMAZCRHLM-OLZOCXBDSA-N 1 0 322.409 -0.911 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509095 830942634 /nfs/dbraw/zinc/94/26/34/830942634.db2.gz MSHGZMUXRWPBFT-NEPJUHHUSA-N 1 0 303.428 -0.226 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134509591 830944024 /nfs/dbraw/zinc/94/40/24/830944024.db2.gz VMAMORQZSIMMRS-NEPJUHHUSA-N 1 0 303.428 -0.178 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)Cn1nccc1C ZINC001134523427 830945946 /nfs/dbraw/zinc/94/59/46/830945946.db2.gz HIXQNZNIMPZLEJ-UHFFFAOYSA-N 1 0 320.397 -0.341 20 30 DBEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134525054 830947052 /nfs/dbraw/zinc/94/70/52/830947052.db2.gz VQPDIWOIDZRTTN-NWDGAFQWSA-N 1 0 300.403 -0.009 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541755 830948659 /nfs/dbraw/zinc/94/86/59/830948659.db2.gz WNEXOBWTYSAGIW-QWHCGFSZSA-N 1 0 320.393 -0.557 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134553348 830951091 /nfs/dbraw/zinc/95/10/91/830951091.db2.gz PHELPKYAAAAHFM-NWDGAFQWSA-N 1 0 301.412 -0.472 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccnc1C(C)C ZINC001134575004 830951997 /nfs/dbraw/zinc/95/19/97/830951997.db2.gz XOLPSRMSXANVES-CYBMUJFWSA-N 1 0 319.409 -0.150 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c(C)nn(C)c1OC ZINC001134600533 830953463 /nfs/dbraw/zinc/95/34/63/830953463.db2.gz UTXCNJUIODWDHY-NSHDSACASA-N 1 0 323.397 -0.253 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)nn(C)c1OC ZINC001134600532 830953485 /nfs/dbraw/zinc/95/34/85/830953485.db2.gz UTXCNJUIODWDHY-LLVKDONJSA-N 1 0 323.397 -0.253 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1csc2cncn21 ZINC001134627697 830957904 /nfs/dbraw/zinc/95/79/04/830957904.db2.gz AICLMSOAOHINMH-UHFFFAOYSA-N 1 0 305.363 -0.535 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134658695 830963505 /nfs/dbraw/zinc/96/35/05/830963505.db2.gz WQIJCUHLMNOMQZ-GHMZBOCLSA-N 1 0 310.398 -0.880 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134673002 830967655 /nfs/dbraw/zinc/96/76/55/830967655.db2.gz HRKHEJFCPGPIHT-VXGBXAGGSA-N 1 0 301.387 -0.566 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134670003 830967663 /nfs/dbraw/zinc/96/76/63/830967663.db2.gz PZXCZTJACTVGPN-JTQLQIEISA-N 1 0 319.427 -0.794 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714321 830970587 /nfs/dbraw/zinc/97/05/87/830970587.db2.gz KVHZTAZEJUGAII-JTQLQIEISA-N 1 0 310.354 -0.533 20 30 DBEDRO Cc1nc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)cs1 ZINC001134703335 830970653 /nfs/dbraw/zinc/97/06/53/830970653.db2.gz JUCNUDOLIVDLPD-UHFFFAOYSA-N 1 0 309.395 -0.270 20 30 DBEDRO Cc1nn(C)cc1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134717907 830971481 /nfs/dbraw/zinc/97/14/81/830971481.db2.gz SMJAGWXOMSCRSI-UHFFFAOYSA-N 1 0 306.370 -0.993 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnc[nH]c1=O)[NH2+]CC(=O)NCC#N ZINC001134727145 830972324 /nfs/dbraw/zinc/97/23/24/830972324.db2.gz 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C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001155842406 831955392 /nfs/dbraw/zinc/95/53/92/831955392.db2.gz NGHFVJXPFUCVSY-NSHDSACASA-N 1 0 321.385 -0.220 20 30 DBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001155841903 831955453 /nfs/dbraw/zinc/95/54/53/831955453.db2.gz JGZKFMGTXMYQDU-NEPJUHHUSA-N 1 0 316.427 -0.477 20 30 DBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001155836313 831955656 /nfs/dbraw/zinc/95/56/56/831955656.db2.gz LZAQOVDTVXKBHD-TZMCWYRMSA-N 1 0 322.409 -0.121 20 30 DBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001155848894 831956103 /nfs/dbraw/zinc/95/61/03/831956103.db2.gz RGINNBFETALQNX-SNVBAGLBSA-N 1 0 311.386 -0.134 20 30 DBEDRO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001155850281 831956167 /nfs/dbraw/zinc/95/61/67/831956167.db2.gz BYWJNGPYYVPZRV-CYBMUJFWSA-N 1 0 320.393 -0.223 20 30 DBEDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155854765 831956274 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20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)[C@H]1C ZINC001179285470 833541501 /nfs/dbraw/zinc/54/15/01/833541501.db2.gz VOSLIEVPLOATSZ-QWRGUYRKSA-N 1 0 304.354 -0.945 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179336847 833543330 /nfs/dbraw/zinc/54/33/30/833543330.db2.gz DABHBSBOYDWNTF-VWYCJHECSA-N 1 0 321.385 -0.907 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H]1C ZINC001179393173 833545011 /nfs/dbraw/zinc/54/50/11/833545011.db2.gz UYWFZQASROFKFF-RWMBFGLXSA-N 1 0 322.409 -0.512 20 30 DBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@H]1C ZINC001179481606 833548500 /nfs/dbraw/zinc/54/85/00/833548500.db2.gz KCVHSBWTYPAVQC-CQDKDKBSSA-N 1 0 317.393 -0.331 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)[C@H]1C ZINC001179549694 833550712 /nfs/dbraw/zinc/55/07/12/833550712.db2.gz GKPJUFNISDYUAS-RYUDHWBXSA-N 1 0 318.377 -0.044 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C 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C=CCn1cc(C(=O)N2CCCO[C@@H](C[NH2+]CCOC)C2)nn1 ZINC001201585584 835198310 /nfs/dbraw/zinc/19/83/10/835198310.db2.gz RHGVZJVDDZKKQD-ZDUSSCGKSA-N 1 0 323.397 -0.069 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001265912666 835198308 /nfs/dbraw/zinc/19/83/08/835198308.db2.gz IZTLZKIMSPGJPQ-NSHDSACASA-N 1 0 319.365 -0.618 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001265916640 835198561 /nfs/dbraw/zinc/19/85/61/835198561.db2.gz VQVFIBPJPZSMHS-NEPJUHHUSA-N 1 0 303.366 -0.638 20 30 DBEDRO COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001265922867 835199091 /nfs/dbraw/zinc/19/90/91/835199091.db2.gz JWEIDMRYUKAJPL-QWHCGFSZSA-N 1 0 311.382 -0.893 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)CCc2ccon2)CC1 ZINC001201602478 835199152 /nfs/dbraw/zinc/19/91/52/835199152.db2.gz FSMNGYFYSLZWLD-UHFFFAOYSA-N 1 0 318.377 -0.063 20 30 DBEDRO Cc1nn(C)c(C)c1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265923705 835199177 /nfs/dbraw/zinc/19/91/77/835199177.db2.gz XEWCOUOWGRIKJV-LBPRGKRZSA-N 1 0 318.381 -0.519 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)CCCO1 ZINC001201619813 835199370 /nfs/dbraw/zinc/19/93/70/835199370.db2.gz BILLGHVFPXUITC-CQSZACIVSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001265916641 835199571 /nfs/dbraw/zinc/19/95/71/835199571.db2.gz VQVFIBPJPZSMHS-RYUDHWBXSA-N 1 0 303.366 -0.638 20 30 DBEDRO C#CCNC(=O)C[N@H+](C)CCCNC(=O)c1cncc(C#C)c1 ZINC001265921818 835199864 /nfs/dbraw/zinc/19/98/64/835199864.db2.gz WODOAKYAIFQPRS-UHFFFAOYSA-N 1 0 312.373 -0.136 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001265918104 835199929 /nfs/dbraw/zinc/19/99/29/835199929.db2.gz CLKZLCAVWNXMJZ-ZDUSSCGKSA-N 1 0 313.423 -0.374 20 30 DBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001265931120 835200512 /nfs/dbraw/zinc/20/05/12/835200512.db2.gz YFXUHPCXQOVJPN-RWMBFGLXSA-N 1 0 311.382 -0.588 20 30 DBEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CCCO1 ZINC001201622672 835200766 /nfs/dbraw/zinc/20/07/66/835200766.db2.gz XGTIJHSMTXFGRX-ZDUSSCGKSA-N 1 0 323.393 -0.178 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCN2CCOCC2)CCCO1 ZINC001201638690 835200887 /nfs/dbraw/zinc/20/08/87/835200887.db2.gz CACIUQJLLGGRBK-HNNXBMFYSA-N 1 0 309.410 -0.451 20 30 DBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001265932541 835201748 /nfs/dbraw/zinc/20/17/48/835201748.db2.gz QMTDQZMJVCCGNS-NSHDSACASA-N 1 0 306.366 -0.536 20 30 DBEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCCO1 ZINC001201649768 835201850 /nfs/dbraw/zinc/20/18/50/835201850.db2.gz SJGAXJUOFSYHIM-GFCCVEGCSA-N 1 0 324.381 -0.679 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)CCCO1 ZINC001201650264 835202004 /nfs/dbraw/zinc/20/20/04/835202004.db2.gz XEMLQEMJPPWJIT-CYBMUJFWSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201688235 835203414 /nfs/dbraw/zinc/20/34/14/835203414.db2.gz NTITTYDHIZPWDN-LLVKDONJSA-N 1 0 323.353 -0.808 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccnn2)CCCO1 ZINC001201701275 835203741 /nfs/dbraw/zinc/20/37/41/835203741.db2.gz GEEAJKPYFCQZIN-CQSZACIVSA-N 1 0 318.377 -0.053 20 30 DBEDRO C[C@@H]1CO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001201694976 835203820 /nfs/dbraw/zinc/20/38/20/835203820.db2.gz WGXMIVBDORMWLR-WCQYABFASA-N 1 0 308.382 -0.368 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2nc3ncccn3n2)CCCO1 ZINC001201696323 835204518 /nfs/dbraw/zinc/20/45/18/835204518.db2.gz XRIHBILAGRHRQW-GFCCVEGCSA-N 1 0 314.349 -0.422 20 30 DBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001265945403 835204967 /nfs/dbraw/zinc/20/49/67/835204967.db2.gz MJYIHIGPXZONKC-LBPRGKRZSA-N 1 0 324.381 -0.727 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)CCCO1 ZINC001201718944 835205665 /nfs/dbraw/zinc/20/56/65/835205665.db2.gz FSSDTDPSYLRCME-ZDUSSCGKSA-N 1 0 318.377 -0.042 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001265955623 835206523 /nfs/dbraw/zinc/20/65/23/835206523.db2.gz YWOJCWRSQNQCAK-LBPRGKRZSA-N 1 0 304.350 -0.116 20 30 DBEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cccn(C)c1=O ZINC001265953583 835207682 /nfs/dbraw/zinc/20/76/82/835207682.db2.gz BRPVGLKWCWLXEX-UHFFFAOYSA-N 1 0 318.377 -0.814 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001265960946 835208311 /nfs/dbraw/zinc/20/83/11/835208311.db2.gz NSWQGEPJLWPSNC-SNVBAGLBSA-N 1 0 309.395 -0.108 20 30 DBEDRO Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)CSCC#N)C2)nc1=O ZINC001265958574 835208356 /nfs/dbraw/zinc/20/83/56/835208356.db2.gz WHKQACJIBJRMBJ-JTQLQIEISA-N 1 0 324.410 -0.697 20 30 DBEDRO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001265958335 835208441 /nfs/dbraw/zinc/20/84/41/835208441.db2.gz PPDWIJKFKRFRKJ-NWDGAFQWSA-N 1 0 301.412 -0.311 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnc(OC)nc2)CCCO1 ZINC001201775138 835208960 /nfs/dbraw/zinc/20/89/60/835208960.db2.gz SOPMVJDCVJCHFE-CYBMUJFWSA-N 1 0 304.350 -0.061 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001265963498 835209405 /nfs/dbraw/zinc/20/94/05/835209405.db2.gz FZCWDVRSHYQZDM-STQMWFEESA-N 1 0 322.409 -0.911 20 30 DBEDRO N#Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)[nH]1 ZINC001265969628 835210573 /nfs/dbraw/zinc/21/05/73/835210573.db2.gz BHLBJTCYJYFTLB-LBPRGKRZSA-N 1 0 306.366 -0.053 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC001265970981 835210685 /nfs/dbraw/zinc/21/06/85/835210685.db2.gz XNQVXVVMFAJZTD-QWHCGFSZSA-N 1 0 318.381 -0.973 20 30 DBEDRO C#CCNC(=O)C[N@@H+](C)CCCNC(=O)c1cncnc1CC ZINC001265974273 835211434 /nfs/dbraw/zinc/21/14/34/835211434.db2.gz GZOBFTCTPRVTCI-UHFFFAOYSA-N 1 0 317.393 -0.160 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)CCCO1 ZINC001201824127 835211428 /nfs/dbraw/zinc/21/14/28/835211428.db2.gz PSGPJIPIEVYUIM-UONOGXRCSA-N 1 0 307.394 -0.305 20 30 DBEDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)NC(N)=O ZINC001265976955 835211704 /nfs/dbraw/zinc/21/17/04/835211704.db2.gz REFWHTRUXKKHNJ-ZYHUDNBSSA-N 1 0 306.366 -0.579 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(N)=O)CCCO1 ZINC001201822497 835211816 /nfs/dbraw/zinc/21/18/16/835211816.db2.gz BCMAHNYYXDXAPB-KGLIPLIRSA-N 1 0 322.409 -0.240 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001265977218 835211960 /nfs/dbraw/zinc/21/19/60/835211960.db2.gz WFTNAOQIUYLRTO-GFCCVEGCSA-N 1 0 301.412 -0.613 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001265975801 835212000 /nfs/dbraw/zinc/21/20/00/835212000.db2.gz FKNGRPGCVXNFFT-STQMWFEESA-N 1 0 305.382 -0.209 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2nncn2C)C1 ZINC001265975797 835212219 /nfs/dbraw/zinc/21/22/19/835212219.db2.gz FKNGRPGCVXNFFT-OLZOCXBDSA-N 1 0 305.382 -0.209 20 30 DBEDRO COc1nc(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)co1 ZINC001201839096 835213046 /nfs/dbraw/zinc/21/30/46/835213046.db2.gz JRVFEUYLXNHASE-UHFFFAOYSA-N 1 0 321.337 -0.483 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)n2)C1 ZINC001265977408 835213037 /nfs/dbraw/zinc/21/30/37/835213037.db2.gz ZJFOLOGZEIQRRO-CHWSQXEVSA-N 1 0 305.382 -0.209 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1 ZINC001265979457 835213399 /nfs/dbraw/zinc/21/33/99/835213399.db2.gz MOKSUQDYNAALJN-NEPJUHHUSA-N 1 0 301.412 -0.615 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)c2csnn2)CC1 ZINC001201864150 835215391 /nfs/dbraw/zinc/21/53/91/835215391.db2.gz LZTCVXXDKJLFIA-UHFFFAOYSA-N 1 0 307.379 -0.518 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cccn(C)c2=O)CCCO1 ZINC001201879436 835216075 /nfs/dbraw/zinc/21/60/75/835216075.db2.gz FNFAPFIPYYLFRM-ZDUSSCGKSA-N 1 0 303.362 -0.161 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001266012752 835216804 /nfs/dbraw/zinc/21/68/04/835216804.db2.gz JYBKYFOCLKFXHL-NSHDSACASA-N 1 0 321.381 -0.520 20 30 DBEDRO C#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)cn1 ZINC001201892597 835217156 /nfs/dbraw/zinc/21/71/56/835217156.db2.gz ZHHOTJGPEQRMHH-OAHLLOKOSA-N 1 0 303.362 -0.124 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001266017964 835218021 /nfs/dbraw/zinc/21/80/21/835218021.db2.gz HQYUZVCACQRMEL-RYUDHWBXSA-N 1 0 301.412 -0.615 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)CCCO1 ZINC001201909555 835218641 /nfs/dbraw/zinc/21/86/41/835218641.db2.gz YPJICWZKYFQMDC-CQSZACIVSA-N 1 0 320.393 -0.055 20 30 DBEDRO Cc1nc[nH]c1CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266031878 835218918 /nfs/dbraw/zinc/21/89/18/835218918.db2.gz LMWMCRBCVURIBI-GFCCVEGCSA-N 1 0 318.381 -0.662 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001266031841 835219211 /nfs/dbraw/zinc/21/92/11/835219211.db2.gz LBYFFSDERJIUBL-LBPRGKRZSA-N 1 0 301.412 -0.661 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)CC)C1 ZINC001266026595 835219456 /nfs/dbraw/zinc/21/94/56/835219456.db2.gz OCUQRFDFIQXMQF-ZDUSSCGKSA-N 1 0 315.439 -0.271 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)C1 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ZINC001486091200 1013668736 /nfs/dbraw/zinc/66/87/36/1013668736.db2.gz QHXMEUDJVXPFCD-CHWSQXEVSA-N 1 0 318.377 -0.471 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C ZINC001486091203 1013669326 /nfs/dbraw/zinc/66/93/26/1013669326.db2.gz QHXMEUDJVXPFCD-QWHCGFSZSA-N 1 0 318.377 -0.471 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@@H]1C ZINC001486097941 1013670863 /nfs/dbraw/zinc/67/08/63/1013670863.db2.gz YULGHEBDMQUNHB-OLZOCXBDSA-N 1 0 320.393 -0.434 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001486102461 1013674191 /nfs/dbraw/zinc/67/41/91/1013674191.db2.gz VALBAYKPQOCNBS-WDEREUQCSA-N 1 0 319.365 -0.323 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2C)[C@@H]1C ZINC001486098286 1013674583 /nfs/dbraw/zinc/67/45/83/1013674583.db2.gz NGLRCLOOCDTQHW-NEPJUHHUSA-N 1 0 303.366 -0.340 20 30 DBEDRO Cc1c(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]2C)cnn1C ZINC001486100458 1013675681 /nfs/dbraw/zinc/67/56/81/1013675681.db2.gz ICVRXGIJUSIJGP-ZYHUDNBSSA-N 1 0 318.381 -0.439 20 30 DBEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1cncnc1 ZINC001486105624 1013677628 /nfs/dbraw/zinc/67/76/28/1013677628.db2.gz FQNXGPYRVBAGPP-JQWIXIFHSA-N 1 0 302.338 -0.691 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC001486106856 1013677652 /nfs/dbraw/zinc/67/76/52/1013677652.db2.gz WJWSYQYFFSAKKN-YPMHNXCESA-N 1 0 305.382 -0.167 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2coc(C)n2)C1 ZINC001486109263 1013682910 /nfs/dbraw/zinc/68/29/10/1013682910.db2.gz QDYNKGXMYMSYOZ-JQWIXIFHSA-N 1 0 304.350 -0.075 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccnnc2C)C1 ZINC001486118614 1013685735 /nfs/dbraw/zinc/68/57/35/1013685735.db2.gz UMPXWCPUJPAQSQ-AAEUAGOBSA-N 1 0 315.377 -0.273 20 30 DBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001486124677 1013688304 /nfs/dbraw/zinc/68/83/04/1013688304.db2.gz RXCCZISPWJTNAD-WDEREUQCSA-N 1 0 320.349 -0.991 20 30 DBEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001486133946 1013694455 /nfs/dbraw/zinc/69/44/55/1013694455.db2.gz JCCLPGFXJIGYOK-GHMZBOCLSA-N 1 0 306.370 -0.468 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2ccnc2)C1 ZINC001486133485 1013694762 /nfs/dbraw/zinc/69/47/62/1013694762.db2.gz CTPCVFBBNKCDHJ-STQMWFEESA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001486133267 1013694860 /nfs/dbraw/zinc/69/48/60/1013694860.db2.gz ACCANPZGXANMRK-NWDGAFQWSA-N 1 0 301.412 -0.520 20 30 DBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001486133269 1013694891 /nfs/dbraw/zinc/69/48/91/1013694891.db2.gz ACCANPZGXANMRK-VXGBXAGGSA-N 1 0 301.412 -0.520 20 30 DBEDRO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001486129944 1013695470 /nfs/dbraw/zinc/69/54/70/1013695470.db2.gz PFWWRXWBWWJRRB-VXGBXAGGSA-N 1 0 301.412 -0.520 20 30 DBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)CCCS(N)(=O)=O)CCC[C@@H]12 ZINC001486148700 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ZINC001486234492 1013723426 /nfs/dbraw/zinc/72/34/26/1013723426.db2.gz VJWPYECEBHZJCO-LBPRGKRZSA-N 1 0 306.370 -0.851 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC1(C)C ZINC001486231339 1013724053 /nfs/dbraw/zinc/72/40/53/1013724053.db2.gz NMOXKRKFUANOPA-VXGBXAGGSA-N 1 0 309.366 -0.429 20 30 DBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CCCS(N)(=O)=O)CC1(C)C ZINC001486239991 1013725941 /nfs/dbraw/zinc/72/59/41/1013725941.db2.gz HJPKHHQZEMPWCB-LBPRGKRZSA-N 1 0 315.439 -0.095 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC001486249336 1013728871 /nfs/dbraw/zinc/72/88/71/1013728871.db2.gz LNRITQUUOXNKIK-GFCCVEGCSA-N 1 0 320.397 -0.593 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CCCS(N)(=O)=O)CC1(C)C ZINC001486239990 1013727028 /nfs/dbraw/zinc/72/70/28/1013727028.db2.gz HJPKHHQZEMPWCB-GFCCVEGCSA-N 1 0 315.439 -0.095 20 30 DBEDRO C=CC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CC1(C)C ZINC001486243118 1013727758 /nfs/dbraw/zinc/72/77/58/1013727758.db2.gz BRCCFXDMQSUUOG-NSHDSACASA-N 1 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C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1cccnc1 ZINC001483145895 1011733835 /nfs/dbraw/zinc/73/38/35/1011733835.db2.gz HHQZVBHGOUFHKK-GFCCVEGCSA-N 1 0 303.366 -0.252 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCn1ccnc1 ZINC001483154238 1011741984 /nfs/dbraw/zinc/74/19/84/1011741984.db2.gz YZKJULQMVPZRAS-CHWSQXEVSA-N 1 0 305.382 -0.495 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccc2c(c1)CCO2 ZINC001483169814 1011753835 /nfs/dbraw/zinc/75/38/35/1011753835.db2.gz GWJOIBSBOCFTPQ-LLVKDONJSA-N 1 0 316.361 -0.031 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(C(N)=O)s1 ZINC001483176426 1011761557 /nfs/dbraw/zinc/76/15/57/1011761557.db2.gz XDVDOQXZMYOXQU-MRVPVSSYSA-N 1 0 323.378 -0.805 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)c2cnn(C)c2)C1=O ZINC001483207737 1011789697 /nfs/dbraw/zinc/78/96/97/1011789697.db2.gz ZWHZVJKGOHODBV-AAEUAGOBSA-N 1 0 305.382 -0.085 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)c2cnnn2C)C1=O ZINC001483224384 1011803100 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-0.787 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)c1ccncn1 ZINC001483276547 1011824630 /nfs/dbraw/zinc/82/46/30/1011824630.db2.gz SLDOWMDMXOGKLK-LBPRGKRZSA-N 1 0 318.381 -0.053 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1c2c(nn1C)CCC2 ZINC001483282451 1011827152 /nfs/dbraw/zinc/82/71/52/1011827152.db2.gz QSZWAPFKNJUESA-NSHDSACASA-N 1 0 319.409 -0.081 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001483290286 1011830854 /nfs/dbraw/zinc/83/08/54/1011830854.db2.gz IANGPGYDLKIKBX-IUCAKERBSA-N 1 0 302.762 -0.179 20 30 DBEDRO CNS(=O)(=O)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001483295206 1011831796 /nfs/dbraw/zinc/83/17/96/1011831796.db2.gz GKPKSJZERDOBPM-NSHDSACASA-N 1 0 324.406 -0.298 20 30 DBEDRO C#CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380074 1011860028 /nfs/dbraw/zinc/86/00/28/1011860028.db2.gz CXHKGTINBJLZPO-DZGCQCFKSA-N 1 0 310.442 -0.242 20 30 DBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001483397054 1011865453 /nfs/dbraw/zinc/86/54/53/1011865453.db2.gz GBRZAIRYWGXUMZ-LBPRGKRZSA-N 1 0 316.365 -0.176 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cn[nH]n1 ZINC001483437430 1011875753 /nfs/dbraw/zinc/87/57/53/1011875753.db2.gz NWVADCMQGWEKAO-NWDGAFQWSA-N 1 0 318.381 -0.568 20 30 DBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)C1(F)CCOCC1 ZINC001483470903 1011883522 /nfs/dbraw/zinc/88/35/22/1011883522.db2.gz HBMQIBNNZUBOOA-UHFFFAOYSA-N 1 0 314.361 -0.417 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001483475816 1011883837 /nfs/dbraw/zinc/88/38/37/1011883837.db2.gz YIIHMVIGDJWJPS-UHFFFAOYSA-N 1 0 320.393 -0.261 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001483474216 1011883858 /nfs/dbraw/zinc/88/38/58/1011883858.db2.gz GFVJCRNXXKMNLQ-STQMWFEESA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001483491174 1011889174 /nfs/dbraw/zinc/88/91/74/1011889174.db2.gz XMLSEBWDNCESLE-KBPBESRZSA-N 1 0 309.410 -0.011 20 30 DBEDRO CC#CC[NH2+]CCCN(C)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001483491367 1011889840 /nfs/dbraw/zinc/88/98/40/1011889840.db2.gz JVYMTUNCIYRCOQ-UHFFFAOYSA-N 1 0 313.383 -0.868 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)NC(C)=O ZINC001483497881 1011890607 /nfs/dbraw/zinc/89/06/07/1011890607.db2.gz DXGKUWLERPTPRK-LBPRGKRZSA-N 1 0 324.425 -0.523 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001483503801 1011892187 /nfs/dbraw/zinc/89/21/87/1011892187.db2.gz VWTNCDOOUXHFHN-BBRMVZONSA-N 1 0 307.394 -0.400 20 30 DBEDRO COCC#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001483512532 1011894351 /nfs/dbraw/zinc/89/43/51/1011894351.db2.gz BQBYFKFXLBWWPG-GFCCVEGCSA-N 1 0 309.366 -0.873 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)NCCO)CC2)CC1 ZINC001454264190 1011895105 /nfs/dbraw/zinc/89/51/05/1011895105.db2.gz RFQOADRMDIDCSO-UHFFFAOYSA-N 1 0 321.421 -0.321 20 30 DBEDRO COCC#CC[NH2+]C[C@H](NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001483546386 1011897726 /nfs/dbraw/zinc/89/77/26/1011897726.db2.gz JACLBFDNFIFERN-AWEZNQCLSA-N 1 0 307.394 -0.353 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001483553748 1011900760 /nfs/dbraw/zinc/90/07/60/1011900760.db2.gz SZGIFBJORMFPON-CHWSQXEVSA-N 1 0 322.409 -0.701 20 30 DBEDRO CCn1nncc1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001483557349 1011908450 /nfs/dbraw/zinc/90/84/50/1011908450.db2.gz AZLHDYPYMKIRFB-NSHDSACASA-N 1 0 319.369 -0.964 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)c1ncn(C)n1)C1CC1 ZINC001483558811 1011915245 /nfs/dbraw/zinc/91/52/45/1011915245.db2.gz USEJDRHNTXJVSC-ZYHUDNBSSA-N 1 0 320.397 -0.396 20 30 DBEDRO CC#CC[NH2+]C[C@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1CC1 ZINC001483576289 1011938186 /nfs/dbraw/zinc/93/81/86/1011938186.db2.gz JREXNLGUFXJGBI-QWHCGFSZSA-N 1 0 315.439 -0.049 20 30 DBEDRO CC#CC[NH2+]C[C@H](NC(=O)CCn1ncn(C)c1=O)C1CC1 ZINC001483577605 1011939681 /nfs/dbraw/zinc/93/96/81/1011939681.db2.gz XSLKEGOIUUQVBY-ZDUSSCGKSA-N 1 0 305.382 -0.520 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](NC(=O)CCc1cn[nH]n1)C1CC1 ZINC001483587743 1011945478 /nfs/dbraw/zinc/94/54/78/1011945478.db2.gz LHYGCSMPPWHONU-CQSZACIVSA-N 1 0 305.382 -0.129 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001483586845 1011947263 /nfs/dbraw/zinc/94/72/63/1011947263.db2.gz YBZBZKZEJFQRQJ-LRDDRELGSA-N 1 0 322.409 -0.558 20 30 DBEDRO C=CC[NH2+]C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)C1CC1 ZINC001483592263 1011948934 /nfs/dbraw/zinc/94/89/34/1011948934.db2.gz LHMYHDLJMFGJDZ-GFCCVEGCSA-N 1 0 316.365 -0.439 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1ncccn1)C1CC1 ZINC001483594290 1011950220 /nfs/dbraw/zinc/95/02/20/1011950220.db2.gz IAWOFHQFODVFMV-GFCCVEGCSA-N 1 0 301.350 -0.676 20 30 DBEDRO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 ZINC001483593360 1011951836 /nfs/dbraw/zinc/95/18/36/1011951836.db2.gz ZFXGBSKCWZMNLX-LLVKDONJSA-N 1 0 303.428 -0.015 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)c1cnon1)C1CC1 ZINC001483594030 1011955139 /nfs/dbraw/zinc/95/51/39/1011955139.db2.gz FHWVBXYECNEEBN-GXSJLCMTSA-N 1 0 307.354 -0.142 20 30 DBEDRO C#CC[NH2+]C[C@@H](NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC)C1CC1 ZINC001483598530 1011959488 /nfs/dbraw/zinc/95/94/88/1011959488.db2.gz KNWFNQCPEOOETI-SECBINFHSA-N 1 0 306.322 -0.372 20 30 DBEDRO C=CCC[NH2+]C[C@H](NC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001483599000 1011959977 /nfs/dbraw/zinc/95/99/77/1011959977.db2.gz QIJYBSULSOGXAB-LBPRGKRZSA-N 1 0 308.382 -0.011 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccccc1F ZINC001496927568 1017100662 /nfs/dbraw/zinc/10/06/62/1017100662.db2.gz MQHCNUSTXKIXDY-JTQLQIEISA-N 1 0 308.313 -0.854 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)C[C@@H]1CC ZINC001483624029 1011978563 /nfs/dbraw/zinc/97/85/63/1011978563.db2.gz JOXZQEAXEXZUEB-STQMWFEESA-N 1 0 315.439 -0.224 20 30 DBEDRO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC001496931986 1017102936 /nfs/dbraw/zinc/10/29/36/1017102936.db2.gz JABIMFKNFVHKGA-ZDUSSCGKSA-N 1 0 322.340 -0.600 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1nc2ccccn2c1=O ZINC001483670834 1012039942 /nfs/dbraw/zinc/03/99/42/1012039942.db2.gz RMSLHODCRVHUAG-CYBMUJFWSA-N 1 0 313.361 -0.290 20 30 DBEDRO C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NC(=O)c1c[nH]c(C#N)c1 ZINC001454584606 1012050084 /nfs/dbraw/zinc/05/00/84/1012050084.db2.gz XIMOHBDTGGTJHN-GWCFXTLKSA-N 1 0 319.365 -0.549 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cc[n+]([O-])cc2)CC1 ZINC001483716157 1012080878 /nfs/dbraw/zinc/08/08/78/1012080878.db2.gz ZFPJGHQJJUNYKT-GFCCVEGCSA-N 1 0 318.377 -0.137 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CCCO2)CC1 ZINC001483719954 1012085666 /nfs/dbraw/zinc/08/56/66/1012085666.db2.gz TZDNWEMNQBMZGX-CHWSQXEVSA-N 1 0 307.394 -0.068 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001483733955 1012098706 /nfs/dbraw/zinc/09/87/06/1012098706.db2.gz KUPCNOJBLKNWRB-LBPRGKRZSA-N 1 0 321.377 -0.588 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001483734835 1012098825 /nfs/dbraw/zinc/09/88/25/1012098825.db2.gz GTWNDWJIDZSNFO-MKBNYLNASA-N 1 0 307.394 -0.048 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2cnc(C)o2)CC1 ZINC001483740597 1012102477 /nfs/dbraw/zinc/10/24/77/1012102477.db2.gz LNNRVTMLMHGUMP-NSHDSACASA-N 1 0 318.377 -0.098 20 30 DBEDRO C#CCC[NH2+]C1(CNC(=O)[C@H](CCC)S(N)(=O)=O)CC1 ZINC001483755104 1012114580 /nfs/dbraw/zinc/11/45/80/1012114580.db2.gz OSWCUUKSHZIEGI-NSHDSACASA-N 1 0 301.412 -0.295 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001483754248 1012114850 /nfs/dbraw/zinc/11/48/50/1012114850.db2.gz VVYBEANEYZBVPY-KCQAQPDRSA-N 1 0 319.405 -0.211 20 30 DBEDRO C=CCC[NH2+]C1(CNC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001483773435 1012128610 /nfs/dbraw/zinc/12/86/10/1012128610.db2.gz NQLMYRWRJGZPGR-UHFFFAOYSA-N 1 0 316.365 -0.295 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)COc2cccnc2)CC1 ZINC001483777702 1012132976 /nfs/dbraw/zinc/13/29/76/1012132976.db2.gz OBPFPNODWBGPSB-UHFFFAOYSA-N 1 0 316.361 -0.552 20 30 DBEDRO C#CCC[NH2+]C1(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001483782725 1012139514 /nfs/dbraw/zinc/13/95/14/1012139514.db2.gz FRMNFVHZOAADEN-UHFFFAOYSA-N 1 0 306.322 -0.228 20 30 DBEDRO C=CC[NH2+]C1(CNC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001483789918 1012144212 /nfs/dbraw/zinc/14/42/12/1012144212.db2.gz AIBORCJWRVIGSK-UHFFFAOYSA-N 1 0 301.412 -0.859 20 30 DBEDRO C=CC[N@@H+](CCOC)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001483818108 1012149596 /nfs/dbraw/zinc/14/95/96/1012149596.db2.gz HYPXVPJOZIPTMJ-UHFFFAOYSA-N 1 0 308.386 -0.202 20 30 DBEDRO C#CC[N@H+](C)CCCC(=O)N1CCC(NC(=O)CC(N)=O)CC1 ZINC001483821064 1012151427 /nfs/dbraw/zinc/15/14/27/1012151427.db2.gz XKRYOAVRXKRONM-UHFFFAOYSA-N 1 0 322.409 -0.686 20 30 DBEDRO COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001483846629 1012158426 /nfs/dbraw/zinc/15/84/26/1012158426.db2.gz VXJZVUQGOIJTPI-INIZCTEOSA-N 1 0 319.405 -0.174 20 30 DBEDRO Cc1c[nH]nc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001483902925 1012196736 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/nfs/dbraw/zinc/99/25/05/1012992505.db2.gz YTLVOIKGEMJZBH-UHFFFAOYSA-N 1 0 308.382 -0.285 20 30 DBEDRO CC#CC[NH2+]CC1CC(NC(=O)CNS(=O)(=O)CC)C1 ZINC001485095693 1012992576 /nfs/dbraw/zinc/99/25/76/1012992576.db2.gz ZLDRHUUHCZVZIP-UHFFFAOYSA-N 1 0 301.412 -0.567 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)Cc2cnc(C)o2)C1 ZINC001485094791 1012993583 /nfs/dbraw/zinc/99/35/83/1012993583.db2.gz UUSBJHJBANVTRP-UHFFFAOYSA-N 1 0 318.377 -0.241 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(F)F ZINC001485111080 1013001158 /nfs/dbraw/zinc/00/11/58/1013001158.db2.gz CZMQRXKMVVUPQY-SFYZADRCSA-N 1 0 306.313 -0.254 20 30 DBEDRO C=CCC[NH2+]CC1CC(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001485110335 1013002122 /nfs/dbraw/zinc/00/21/22/1013002122.db2.gz FIJLQFLUYGIZNQ-UHFFFAOYSA-N 1 0 306.370 -0.563 20 30 DBEDRO Cc1ccnc(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001485141805 1013016125 /nfs/dbraw/zinc/01/61/25/1013016125.db2.gz ISGWVJLHDZRBHV-WDEREUQCSA-N 1 0 304.354 -0.479 20 30 DBEDRO CC(C)C#CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001485144972 1013020929 /nfs/dbraw/zinc/02/09/29/1013020929.db2.gz RTXHECRVUSLHKW-NEPJUHHUSA-N 1 0 303.428 -0.322 20 30 DBEDRO C[C@H](NC(=O)c1cn(C)ccc1=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485172552 1013037592 /nfs/dbraw/zinc/03/75/92/1013037592.db2.gz SKIGTVFTQWWKHI-QWRGUYRKSA-N 1 0 319.365 -0.879 20 30 DBEDRO C[C@@H](NC(=O)c1cn(C)ccc1=O)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485172553 1013039155 /nfs/dbraw/zinc/03/91/55/1013039155.db2.gz SKIGTVFTQWWKHI-WDEREUQCSA-N 1 0 319.365 -0.879 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncoc1C ZINC001496954659 1017127835 /nfs/dbraw/zinc/12/78/35/1017127835.db2.gz WQXVJDIRVRLAMT-ONGXEEELSA-N 1 0 310.354 -0.646 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC001496955401 1017129932 /nfs/dbraw/zinc/12/99/32/1017129932.db2.gz PKOMKHQNQUEHIN-FZMZJTMJSA-N 1 0 305.382 -0.054 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ocnc1C ZINC001496962585 1017137595 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DBEDRO COc1ncc(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)c(C)n1 ZINC001496980036 1017160578 /nfs/dbraw/zinc/16/05/78/1017160578.db2.gz LFQBFWBVVUXKOU-AWEZNQCLSA-N 1 0 318.377 -0.226 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)N1CCCC1 ZINC001496980528 1017161283 /nfs/dbraw/zinc/16/12/83/1017161283.db2.gz GLXWDQZDUWCROF-LLVKDONJSA-N 1 0 318.805 -0.389 20 30 DBEDRO CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C)C1=O ZINC001496980806 1017163552 /nfs/dbraw/zinc/16/35/52/1017163552.db2.gz PXBKWCHNYKACRQ-OLZOCXBDSA-N 1 0 309.410 -0.277 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001496988143 1017168625 /nfs/dbraw/zinc/16/86/25/1017168625.db2.gz WRKZKARGFOGNDN-QMMMGPOBSA-N 1 0 304.272 -0.248 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001496991690 1017173647 /nfs/dbraw/zinc/17/36/47/1017173647.db2.gz RSXRPVKDPLMZHO-CYBMUJFWSA-N 1 0 314.349 -0.634 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2c1oc(=O)n2C ZINC001496994191 1017177699 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30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1cn2ccccc2n1 ZINC001497012000 1017193839 /nfs/dbraw/zinc/19/38/39/1017193839.db2.gz QDODRJDOKZTVKB-AWEZNQCLSA-N 1 0 300.362 -0.033 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2ccccn2c1=O ZINC001497013080 1017193852 /nfs/dbraw/zinc/19/38/52/1017193852.db2.gz VSIGMFRSOZKACK-LBPRGKRZSA-N 1 0 314.345 -0.602 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001497025622 1017204673 /nfs/dbraw/zinc/20/46/73/1017204673.db2.gz PWKJLJKDXPLGBO-QWRGUYRKSA-N 1 0 303.790 -0.278 20 30 DBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O ZINC001497029253 1017206853 /nfs/dbraw/zinc/20/68/53/1017206853.db2.gz NGLCQLPQLSVPNH-GFCCVEGCSA-N 1 0 319.365 -0.861 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)c1 ZINC001497046141 1017220694 /nfs/dbraw/zinc/22/06/94/1017220694.db2.gz KVGURFDBDNAPSX-AWEZNQCLSA-N 1 0 316.361 -0.978 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]CCC[C@@H](C)O)c1 ZINC001497048693 1017224878 /nfs/dbraw/zinc/22/48/78/1017224878.db2.gz YLZZATRYJXGHLF-DOMZBBRYSA-N 1 0 305.378 -0.096 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCCC1 ZINC001497070043 1017240332 /nfs/dbraw/zinc/24/03/32/1017240332.db2.gz HOTBUGLKGZFIEX-LBPRGKRZSA-N 1 0 318.439 -0.013 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001497078398 1017245476 /nfs/dbraw/zinc/24/54/76/1017245476.db2.gz XRBNKTQPSMSFRU-GFCCVEGCSA-N 1 0 305.806 -0.472 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001497117394 1017283065 /nfs/dbraw/zinc/28/30/65/1017283065.db2.gz FMDBOLLMHRLASW-LLVKDONJSA-N 1 0 302.334 -0.408 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001497256799 1017324906 /nfs/dbraw/zinc/32/49/06/1017324906.db2.gz SZPCQRXUAVFHDV-BLLLJJGKSA-N 1 0 324.425 -0.311 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc2nc[nH]n2)C1=O ZINC001497301068 1017336505 /nfs/dbraw/zinc/33/65/05/1017336505.db2.gz RGZIQPFSDHZCNC-NWDGAFQWSA-N 1 0 320.397 -0.382 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cncnc1CC ZINC001497321244 1017341841 /nfs/dbraw/zinc/34/18/41/1017341841.db2.gz CJNUMPVYAOFBSK-LBPRGKRZSA-N 1 0 317.393 -0.114 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)c1cc[n+]([O-])cc1 ZINC001497353108 1017351750 /nfs/dbraw/zinc/35/17/50/1017351750.db2.gz PTYRCISICSIGFZ-CYBMUJFWSA-N 1 0 318.377 -0.490 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cc(C#N)c[nH]1 ZINC001497368827 1017354613 /nfs/dbraw/zinc/35/46/13/1017354613.db2.gz YYILKKSCEDCQGO-UHFFFAOYSA-N 1 0 301.350 -0.313 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001497396514 1017365578 /nfs/dbraw/zinc/36/55/78/1017365578.db2.gz GHMCYRKUVKIDEL-CYBMUJFWSA-N 1 0 322.409 -0.958 20 30 DBEDRO CCc1cc(C(=O)N(CC)CC[NH2+]CC(=O)NCC#N)nn1C ZINC001497508569 1017400921 /nfs/dbraw/zinc/40/09/21/1017400921.db2.gz YTCVFAZCJYRCRR-UHFFFAOYSA-N 1 0 320.397 -0.326 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H](C)n1cccn1 ZINC001497536728 1017408322 /nfs/dbraw/zinc/40/83/22/1017408322.db2.gz XXQTWXBDSRMNIW-LAWSMPECSA-N 1 0 317.393 -0.156 20 30 DBEDRO Cc1ncsc1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497535381 1017408538 /nfs/dbraw/zinc/40/85/38/1017408538.db2.gz SDAQQFKUNKVYCI-NSCUHMNNSA-N 1 0 307.379 -0.033 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)CNC(=O)OC)C1=O ZINC001497538523 1017411574 /nfs/dbraw/zinc/41/15/74/1017411574.db2.gz TUCITYNTWZHPNX-ZYOFXKKJSA-N 1 0 324.381 -0.609 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)c1nccc(C)n1 ZINC001497568776 1017426130 /nfs/dbraw/zinc/42/61/30/1017426130.db2.gz LNJXYCMNJIAISZ-SZZPACECSA-N 1 0 315.377 -0.201 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCOCC1 ZINC001497567854 1017426253 /nfs/dbraw/zinc/42/62/53/1017426253.db2.gz FREKJYKGQQXPFY-NQHOJNORSA-N 1 0 307.394 -0.186 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)N(C)C ZINC001497602369 1017440117 /nfs/dbraw/zinc/44/01/17/1017440117.db2.gz XIAKTINHHOXTJJ-CNBITHIKSA-N 1 0 320.437 -0.177 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1cn[nH]c(=O)c1 ZINC001497608429 1017443436 /nfs/dbraw/zinc/44/34/36/1017443436.db2.gz NQROHRYDOXIOHD-ZWNMCFTASA-N 1 0 317.349 -0.804 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001497638292 1017449066 /nfs/dbraw/zinc/44/90/66/1017449066.db2.gz IJHWGHZCYXKREO-PUFASFLSSA-N 1 0 319.405 -0.187 20 30 DBEDRO CC#CC[NH2+]C/C=C\CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001497627372 1017450572 /nfs/dbraw/zinc/45/05/72/1017450572.db2.gz GEQBLUGVPJHISA-WAYWQWQTSA-N 1 0 318.377 -0.211 20 30 DBEDRO CC#CCCCC(=O)NC/C=C/C[NH2+]CC(=O)NC(=O)NC ZINC001497658745 1017460219 /nfs/dbraw/zinc/46/02/19/1017460219.db2.gz ZOGLCFPZSINSQY-BQYQJAHWSA-N 1 0 308.382 -0.102 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1c(C)nc[nH]c1=O ZINC001497663240 1017462306 /nfs/dbraw/zinc/46/23/06/1017462306.db2.gz WGOLUCLTFSOMSW-SNAWJCMRSA-N 1 0 319.365 -0.332 20 30 DBEDRO CC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001497694420 1017469781 /nfs/dbraw/zinc/46/97/81/1017469781.db2.gz IXKDINFSCACGDP-FPLPWBNLSA-N 1 0 301.412 -0.401 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cc1nonc1C ZINC001497714296 1017477883 /nfs/dbraw/zinc/47/78/83/1017477883.db2.gz YGMCTAINHMQCAO-FYJFLYSWSA-N 1 0 319.365 -0.680 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001497727409 1017478865 /nfs/dbraw/zinc/47/88/65/1017478865.db2.gz XRABQIXKSOEADC-LDIIPZEWSA-N 1 0 320.393 -0.686 20 30 DBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC12CCOCC2 ZINC001497770297 1017493081 /nfs/dbraw/zinc/49/30/81/1017493081.db2.gz LFGXGXYEPMFOML-AORQRIRUSA-N 1 0 320.393 -0.295 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CSCC#N ZINC001497789390 1017497813 /nfs/dbraw/zinc/49/78/13/1017497813.db2.gz ISGVYGBIAYVJHH-LLVKDONJSA-N 1 0 314.411 -0.804 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cocn1 ZINC001497804927 1017506204 /nfs/dbraw/zinc/50/62/04/1017506204.db2.gz WQDXCNCFVWAGHF-SECBINFHSA-N 1 0 309.326 -0.606 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2CN(C(C)=O)C2)C1=O ZINC001497812347 1017507710 /nfs/dbraw/zinc/50/77/10/1017507710.db2.gz DZONYWYJTLUOHP-RISCZKNCSA-N 1 0 322.409 -0.654 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)C ZINC001497830100 1017515809 /nfs/dbraw/zinc/51/58/09/1017515809.db2.gz NUCCVNMEBUPQKN-CABCVRRESA-N 1 0 322.453 -0.050 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(C)cc1=O ZINC001497832407 1017517676 /nfs/dbraw/zinc/51/76/76/1017517676.db2.gz OXSYSWPTWNJCJK-LLVKDONJSA-N 1 0 318.377 -0.849 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001497913984 1017543594 /nfs/dbraw/zinc/54/35/94/1017543594.db2.gz ZXXNPSDMPTWZSG-ZJUUUORDSA-N 1 0 321.381 -0.488 20 30 DBEDRO CCc1c(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)ccn1C ZINC001497909662 1017544561 /nfs/dbraw/zinc/54/45/61/1017544561.db2.gz AGRGNZGESOTACO-LLVKDONJSA-N 1 0 305.382 -0.065 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cccn2c(=O)[nH]nc12 ZINC001497958437 1017559572 /nfs/dbraw/zinc/55/95/72/1017559572.db2.gz BUMZEAWDCBRGGV-LLVKDONJSA-N 1 0 317.349 -0.207 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn2cc[nH]c12 ZINC001497971489 1017560520 /nfs/dbraw/zinc/56/05/20/1017560520.db2.gz UVAXGBBXFQVNPS-GHMZBOCLSA-N 1 0 316.365 -0.492 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001497970780 1017560739 /nfs/dbraw/zinc/56/07/39/1017560739.db2.gz ANRHBDCGWMWDDN-TZMCWYRMSA-N 1 0 314.389 -0.360 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001497970779 1017560994 /nfs/dbraw/zinc/56/09/94/1017560994.db2.gz ANRHBDCGWMWDDN-OCCSQVGLSA-N 1 0 314.389 -0.360 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001498008731 1017573920 /nfs/dbraw/zinc/57/39/20/1017573920.db2.gz FVSRVTCFAUUUAE-NWDGAFQWSA-N 1 0 303.366 -0.369 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001498020239 1017579518 /nfs/dbraw/zinc/57/95/18/1017579518.db2.gz RJTCOJDACACERL-STQMWFEESA-N 1 0 305.382 -0.576 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)c1cnnn1C ZINC001498037592 1017588443 /nfs/dbraw/zinc/58/84/43/1017588443.db2.gz FMMPEQBLGXKYIG-NSHDSACASA-N 1 0 321.385 -0.715 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnn2c1CCC2 ZINC001498050991 1017593974 /nfs/dbraw/zinc/59/39/74/1017593974.db2.gz KGHCCVBMXUJDJD-NWDGAFQWSA-N 1 0 317.393 -0.325 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1nc(CC)c[nH]1 ZINC001498055132 1017595357 /nfs/dbraw/zinc/59/53/57/1017595357.db2.gz KIVHQCGHYRJJNH-NWDGAFQWSA-N 1 0 319.409 -0.253 20 30 DBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CN1CCCCS1(=O)=O ZINC001498072830 1017606623 /nfs/dbraw/zinc/60/66/23/1017606623.db2.gz QUNOTOPPUKMQCG-LBPRGKRZSA-N 1 0 301.412 -0.470 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cc(COC)on1 ZINC001498131811 1017636811 /nfs/dbraw/zinc/63/68/11/1017636811.db2.gz JNKFPHOQLYZNCC-WDEREUQCSA-N 1 0 322.365 -0.333 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)c1nocc1C ZINC001498154507 1017651135 /nfs/dbraw/zinc/65/11/35/1017651135.db2.gz ZQVYTBOWUMEDRI-JTQLQIEISA-N 1 0 323.353 -0.297 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498163167 1017657834 /nfs/dbraw/zinc/65/78/34/1017657834.db2.gz VIRPNEHHEBOHJZ-BLLLJJGKSA-N 1 0 309.410 -0.018 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccnc(C)n1 ZINC001498190257 1017669439 /nfs/dbraw/zinc/66/94/39/1017669439.db2.gz TUHRZUQBHGUARC-WDEREUQCSA-N 1 0 303.366 -0.369 20 30 DBEDRO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)N1CCCC1=O ZINC001498193212 1017673155 /nfs/dbraw/zinc/67/31/55/1017673155.db2.gz ZRNHZPFCSGSWQL-RYUDHWBXSA-N 1 0 323.397 -0.879 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1COc2ccccc21 ZINC001498208203 1017679871 /nfs/dbraw/zinc/67/98/71/1017679871.db2.gz UFZQFRLOCYBHHS-AAEUAGOBSA-N 1 0 316.361 -0.103 20 30 DBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CN(C)CCN1CCCS1(=O)=O ZINC001498245564 1017696574 /nfs/dbraw/zinc/69/65/74/1017696574.db2.gz BUEWMJRORKSDKP-NEPJUHHUSA-N 1 0 316.427 -0.382 20 30 DBEDRO C#CCOCCC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001498307824 1017726090 /nfs/dbraw/zinc/72/60/90/1017726090.db2.gz FLZXVISGOIGILR-CYBMUJFWSA-N 1 0 307.394 -0.305 20 30 DBEDRO C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001498311310 1017730792 /nfs/dbraw/zinc/73/07/92/1017730792.db2.gz DQORMRXVVFARPL-LBPRGKRZSA-N 1 0 309.414 -0.453 20 30 DBEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374165 1017757796 /nfs/dbraw/zinc/75/77/96/1017757796.db2.gz CGJNYSVUGBTKNV-CYBMUJFWSA-N 1 0 308.426 -0.486 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374906 1017759717 /nfs/dbraw/zinc/75/97/17/1017759717.db2.gz JIHXBGPDLNEZFG-UONOGXRCSA-N 1 0 322.453 -0.097 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374907 1017761572 /nfs/dbraw/zinc/76/15/72/1017761572.db2.gz JIHXBGPDLNEZFG-ZIAGYGMSSA-N 1 0 322.453 -0.097 20 30 DBEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)c2cnn(C)n2)C1=O ZINC001498408579 1017784194 /nfs/dbraw/zinc/78/41/94/1017784194.db2.gz MILPSFYZEMAKGM-YPMHNXCESA-N 1 0 320.397 -0.348 20 30 DBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001498442237 1017804511 /nfs/dbraw/zinc/80/45/11/1017804511.db2.gz DIMXPNSDXMVYMC-TZMCWYRMSA-N 1 0 315.439 -0.082 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001498489669 1017814171 /nfs/dbraw/zinc/81/41/71/1017814171.db2.gz WRCJUTCLKGRMPR-ZIAGYGMSSA-N 1 0 319.409 -0.130 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC001498489664 1017814234 /nfs/dbraw/zinc/81/42/34/1017814234.db2.gz WRCJUTCLKGRMPR-KGLIPLIRSA-N 1 0 319.409 -0.130 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1nnc[nH]1 ZINC001498496501 1017814596 /nfs/dbraw/zinc/81/45/96/1017814596.db2.gz KTISTYTYUWGLMB-VXGBXAGGSA-N 1 0 320.397 -0.015 20 30 DBEDRO C[C@@H](C#N)C(=O)N(C)CCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001498526149 1017822028 /nfs/dbraw/zinc/82/20/28/1017822028.db2.gz KNJCBGUCHUGMOK-NWDGAFQWSA-N 1 0 324.381 -0.906 20 30 DBEDRO C[C@@H](C#N)C(=O)N(C)CCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001498526150 1017822088 /nfs/dbraw/zinc/82/20/88/1017822088.db2.gz KNJCBGUCHUGMOK-RYUDHWBXSA-N 1 0 324.381 -0.906 20 30 DBEDRO CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC001498531491 1017822865 /nfs/dbraw/zinc/82/28/65/1017822865.db2.gz HZUKPWPZTLSRHP-UHFFFAOYSA-N 1 0 317.353 -0.440 20 30 DBEDRO Cc1ncc(CC(=O)N(C)CCC[NH2+]CC(=O)NCC#N)o1 ZINC001498558328 1017829032 /nfs/dbraw/zinc/82/90/32/1017829032.db2.gz DVTVUVRHGFPYSC-UHFFFAOYSA-N 1 0 307.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1ccc(OC)nc1 ZINC001498575848 1017830795 /nfs/dbraw/zinc/83/07/95/1017830795.db2.gz KSHDHZJRYFOVPG-UHFFFAOYSA-N 1 0 318.377 -0.109 20 30 DBEDRO COCC#CC[NH2+]CCCN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001498571797 1017830916 /nfs/dbraw/zinc/83/09/16/1017830916.db2.gz KNPIBDBYHOCUGA-UHFFFAOYSA-N 1 0 316.423 -0.491 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)c2n[nH]nc2C)C1=O ZINC001498590635 1017834114 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C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000419467591 382502117 /nfs/dbraw/zinc/50/21/17/382502117.db2.gz SWLCUWOOPUUFEM-LBPRGKRZSA-N 1 0 316.361 -0.126 20 30 DBEDRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420016075 382505462 /nfs/dbraw/zinc/50/54/62/382505462.db2.gz RSHIWYFDDMSNRP-GFCCVEGCSA-N 1 0 315.377 -0.330 20 30 DBEDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000420459724 382508600 /nfs/dbraw/zinc/50/86/00/382508600.db2.gz RFXGBSCKOVSSAR-NSHDSACASA-N 1 0 312.370 -0.121 20 30 DBEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000114485525 382518201 /nfs/dbraw/zinc/51/82/01/382518201.db2.gz CKMITPVOMNOCJJ-GFCCVEGCSA-N 1 0 319.365 -0.430 20 30 DBEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1cnc(C#N)n1 ZINC000531771737 382562735 /nfs/dbraw/zinc/56/27/35/382562735.db2.gz WYYMKWLNIOKYJZ-UHFFFAOYSA-N 1 0 319.413 -0.366 20 30 DBEDRO CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000124357212 382590759 /nfs/dbraw/zinc/59/07/59/382590759.db2.gz 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533329003 /nfs/dbraw/zinc/32/90/03/533329003.db2.gz ZYNMPOASZPINQI-GFCCVEGCSA-N 1 0 316.427 -0.080 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000328823576 391933625 /nfs/dbraw/zinc/93/36/25/391933625.db2.gz RDVHUWBKITWVNK-GFCCVEGCSA-N 1 0 318.443 -0.038 20 30 DBEDRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)CC[NH2+]1 ZINC000419463281 392139717 /nfs/dbraw/zinc/13/97/17/392139717.db2.gz LGAPBVULFSDSGW-GFCCVEGCSA-N 1 0 316.361 -0.126 20 30 DBEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276260554 392149818 /nfs/dbraw/zinc/14/98/18/392149818.db2.gz BCRBXAXHQXZVTH-DOMZBBRYSA-N 1 0 305.334 -0.780 20 30 DBEDRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[NH+](C)C ZINC000289471369 131389342 /nfs/dbraw/zinc/38/93/42/131389342.db2.gz HLQXQBCUOHQYJB-LLVKDONJSA-N 1 0 324.406 -0.097 20 30 DBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000478734106 392514601 /nfs/dbraw/zinc/51/46/01/392514601.db2.gz ALVFYAQGMVGTTG-CQSZACIVSA-N 1 0 315.377 -0.141 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000644144324 392621900 /nfs/dbraw/zinc/62/19/00/392621900.db2.gz PWJFYCPJYUHVOL-JTQLQIEISA-N 1 0 320.349 -0.779 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NCCN2C(=O)CCCC2=O)CC1 ZINC000490763879 392629504 /nfs/dbraw/zinc/62/95/04/392629504.db2.gz XTXAIYKQSUKNCZ-UHFFFAOYSA-N 1 0 305.378 -0.013 20 30 DBEDRO C#CCNC(=O)CN1CCCN(C(=O)C[C@](C)(O)C=C)CC1 ZINC000491040435 392636979 /nfs/dbraw/zinc/63/69/79/392636979.db2.gz UCYVWPHTXWZXKU-MRXNPFEDSA-N 1 0 307.394 -0.403 20 30 DBEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1=O ZINC000647597072 392652755 /nfs/dbraw/zinc/65/27/55/392652755.db2.gz KJGZEITUQSLWTD-SRVKXCTJSA-N 1 0 310.398 -0.526 20 30 DBEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1=O ZINC000647597075 392652841 /nfs/dbraw/zinc/65/28/41/392652841.db2.gz KJGZEITUQSLWTD-WOPDTQHZSA-N 1 0 310.398 -0.526 20 30 DBEDRO C#CCN1CCN(C(=O)CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC1 ZINC000491181652 392661956 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)CC1 ZINC000341541902 392983510 /nfs/dbraw/zinc/98/35/10/392983510.db2.gz DVXFZEGZOFWZLW-CQSZACIVSA-N 1 0 322.409 -0.024 20 30 DBEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+](C)CCN(C)C ZINC000341639979 392986094 /nfs/dbraw/zinc/98/60/94/392986094.db2.gz GJFGCYPCYHKINT-CYBMUJFWSA-N 1 0 319.475 -0.062 20 30 DBEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000330409524 393034413 /nfs/dbraw/zinc/03/44/13/393034413.db2.gz YEBDIFUJDFQXCG-CYBMUJFWSA-N 1 0 317.459 -0.450 20 30 DBEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000329259893 393263377 /nfs/dbraw/zinc/26/33/77/393263377.db2.gz AKDDJWDLHPANHV-LBPRGKRZSA-N 1 0 312.418 -0.992 20 30 DBEDRO C=CC[C@H](CC)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419138082 393549828 /nfs/dbraw/zinc/54/98/28/393549828.db2.gz QCLSXUGBHKKMGJ-OLZOCXBDSA-N 1 0 324.425 -0.229 20 30 DBEDRO C=C(C)COCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419405279 393573325 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C#CCN1CCN(C(=O)C[NH+]2CCC(C3OCCO3)CC2)CC1 ZINC000490780825 393793663 /nfs/dbraw/zinc/79/36/63/393793663.db2.gz RVUMWSAJJCCLOD-UHFFFAOYSA-N 1 0 321.421 -0.151 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)OCCNS(=O)(=O)CC)CC1 ZINC000490854309 393795792 /nfs/dbraw/zinc/79/57/92/393795792.db2.gz ZSQUXRJUTNWHLJ-UHFFFAOYSA-N 1 0 302.396 -0.186 20 30 DBEDRO C#CCN1CCN(C(=O)C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000490875522 393797081 /nfs/dbraw/zinc/79/70/81/393797081.db2.gz QICIWDGYCGQLOD-UHFFFAOYSA-N 1 0 320.437 -0.259 20 30 DBEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491296900 393809799 /nfs/dbraw/zinc/80/97/99/393809799.db2.gz NUGGHBIMOVGWAR-HUUCEWRRSA-N 1 0 308.426 -0.087 20 30 DBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](C)(C(=O)NC)C2)CC1 ZINC000491289381 393809976 /nfs/dbraw/zinc/80/99/76/393809976.db2.gz YQJCUDJYJKPBOJ-INIZCTEOSA-N 1 0 306.410 -0.778 20 30 DBEDRO C#CCN1C(=O)C[C@H]([NH+]2CCC([C@H](C)NC(C)=O)CC2)C1=O ZINC000491296806 393810490 /nfs/dbraw/zinc/81/04/90/393810490.db2.gz 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C#CCN1C(=O)C[C@@H]([NH+]2CCC(Cn3cncn3)CC2)C1=O ZINC000491631428 393820487 /nfs/dbraw/zinc/82/04/87/393820487.db2.gz ORZPXQMGZBGQFI-CYBMUJFWSA-N 1 0 301.350 -0.249 20 30 DBEDRO C#CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000491620761 393821150 /nfs/dbraw/zinc/82/11/50/393821150.db2.gz GGYROASKWGBWAE-UTUOFQBUSA-N 1 0 301.412 -0.056 20 30 DBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000491672140 393822863 /nfs/dbraw/zinc/82/28/63/393822863.db2.gz OTDBRKUPMJVKDR-STQMWFEESA-N 1 0 301.350 -0.249 20 30 DBEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(=O)NCCC)C2)C1=O ZINC000491679865 393823341 /nfs/dbraw/zinc/82/33/41/393823341.db2.gz GPTHPDBKNSXFNE-QWHCGFSZSA-N 1 0 305.378 -0.015 20 30 DBEDRO C#CCNC(=O)CC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000491697728 393824597 /nfs/dbraw/zinc/82/45/97/393824597.db2.gz RODDPUFEOZSQSB-UHFFFAOYSA-N 1 0 306.366 -0.420 20 30 DBEDRO C#CC[N@@H+](C)CCCNC(=O)c1nnn(-c2ccn(C)n2)c1C ZINC000491702066 393824840 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C#C[C@@H]1COCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000491764613 393830101 /nfs/dbraw/zinc/83/01/01/393830101.db2.gz DCYYTKDTZOBEIS-CVEARBPZSA-N 1 0 323.437 -0.207 20 30 DBEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC=C)CC1 ZINC000491783727 393831709 /nfs/dbraw/zinc/83/17/09/393831709.db2.gz JZEDYIWYXWRNGR-LBPRGKRZSA-N 1 0 320.393 -0.152 20 30 DBEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC000322342968 411664376 /nfs/dbraw/zinc/66/43/76/411664376.db2.gz BQNJYYUEFSIOJD-CQSZACIVSA-N 1 0 319.361 -0.254 20 30 DBEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715959 411873340 /nfs/dbraw/zinc/87/33/40/411873340.db2.gz UDWVTDJKHZITSO-CYBMUJFWSA-N 1 0 322.409 -0.651 20 30 DBEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000659719144 411875796 /nfs/dbraw/zinc/87/57/96/411875796.db2.gz VMZMABWMKQWKMU-RYUDHWBXSA-N 1 0 313.398 -0.076 20 30 DBEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000659719142 412114764 /nfs/dbraw/zinc/11/47/64/412114764.db2.gz VMZMABWMKQWKMU-NEPJUHHUSA-N 1 0 313.398 -0.076 20 30 DBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000662166048 412171714 /nfs/dbraw/zinc/17/17/14/412171714.db2.gz YWXCVRGPWBDUNA-UPJWGTAASA-N 1 0 318.439 -0.063 20 30 DBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000662163680 412172115 /nfs/dbraw/zinc/17/21/15/412172115.db2.gz IACOLLGUPIOAOU-GFCCVEGCSA-N 1 0 307.350 -0.300 20 30 DBEDRO C[NH+](C)CCn1ccc(NC(=O)NCC(=O)N2CCOCC2)n1 ZINC000330691082 412288849 /nfs/dbraw/zinc/28/88/49/412288849.db2.gz WXIWKDQYDWVIPU-UHFFFAOYSA-N 1 0 324.385 -0.371 20 30 DBEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(C)n2)CC1 ZINC000347795642 412269689 /nfs/dbraw/zinc/26/96/89/412269689.db2.gz MDDYDWAJAVJDDR-UHFFFAOYSA-N 1 0 305.382 0.515 20 30 DBEDRO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000341427572 412279306 /nfs/dbraw/zinc/27/93/06/412279306.db2.gz BPBFAFFYBWNASB-GFCCVEGCSA-N 1 0 323.397 -0.316 20 30 DBEDRO C[NH+]1CCC(CNc2cc(C#N)cnn2)(N2CCOCC2)CC1 ZINC000596270465 412303716 /nfs/dbraw/zinc/30/37/16/412303716.db2.gz NHSDCFNUEICBOP-UHFFFAOYSA-N 1 0 316.409 0.557 20 30 DBEDRO COCCn1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)n1 ZINC000330858598 412401208 /nfs/dbraw/zinc/40/12/08/412401208.db2.gz JNSNLDHJQCTNPE-UHFFFAOYSA-N 1 0 311.386 0.312 20 30 DBEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000437418316 412405888 /nfs/dbraw/zinc/40/58/88/412405888.db2.gz GFETXZJRGTXFSJ-LBPRGKRZSA-N 1 0 320.397 0.391 20 30 DBEDRO COCCCNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000552232671 412485309 /nfs/dbraw/zinc/48/53/09/412485309.db2.gz XYLGBRRZUQWGKE-UHFFFAOYSA-N 1 0 308.386 -0.119 20 30 DBEDRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[N@H+](C)C1CC1 ZINC000444582581 412465417 /nfs/dbraw/zinc/46/54/17/412465417.db2.gz PFHORCWPJBASFD-NSHDSACASA-N 1 0 318.381 0.334 20 30 DBEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000290605878 335076161 /nfs/dbraw/zinc/07/61/61/335076161.db2.gz NNCPYFOJDTWONV-MGPQQGTHSA-N 1 0 309.410 -0.018 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000668369145 544429785 /nfs/dbraw/zinc/42/97/85/544429785.db2.gz PAQGNVDXPMDGNT-UHFFFAOYSA-N 1 0 304.416 -0.851 20 30 DBEDRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000596065287 544520769 /nfs/dbraw/zinc/52/07/69/544520769.db2.gz PMRJUAYNLZBWIS-GFCCVEGCSA-N 1 0 303.428 -0.250 20 30 DBEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000419467576 267352977 /nfs/dbraw/zinc/35/29/77/267352977.db2.gz STXZXKCJUBORIM-ZDUSSCGKSA-N 1 0 316.361 -0.126 20 30 DBEDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420020137 267692811 /nfs/dbraw/zinc/69/28/11/267692811.db2.gz RSHIWYFDDMSNRP-LBPRGKRZSA-N 1 0 315.377 -0.330 20 30 DBEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC[NH3+])CC2)cc1 ZINC000419817526 268219379 /nfs/dbraw/zinc/21/93/79/268219379.db2.gz MDLBTNURDKRAST-UHFFFAOYSA-N 1 0 315.377 -0.723 20 30 DBEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000514678377 268253067 /nfs/dbraw/zinc/25/30/67/268253067.db2.gz QUQSRPBYNRVGIB-LLVKDONJSA-N 1 0 310.379 -0.181 20 30 DBEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528599263 268302996 /nfs/dbraw/zinc/30/29/96/268302996.db2.gz PFHGIUQDTBVLIK-SOUVJXGZSA-N 1 0 306.362 -0.169 20 30 DBEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN(C(C)=O)CC1 ZINC000262474440 275733731 /nfs/dbraw/zinc/73/37/31/275733731.db2.gz ZONJCHJCBGBSIS-CYBMUJFWSA-N 1 0 300.428 -0.406 20 30 DBEDRO CCN(CCC#N)S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000337099766 276121775 /nfs/dbraw/zinc/12/17/75/276121775.db2.gz UUSYZPSWLOTZSB-ZDUSSCGKSA-N 1 0 318.443 -0.097 20 30 DBEDRO CC[C@H]1CN(C(NCCN2C(=O)CNC2=O)=[NH+]C)CCS1 ZINC000261799790 276656261 /nfs/dbraw/zinc/65/62/61/276656261.db2.gz GVQPCDYFDMRRFL-JTQLQIEISA-N 1 0 313.427 -0.059 20 30 DBEDRO C[NH+]=C(NCC(=O)N1CCCC1)N1CCC[C@H](CC(N)=O)C1 ZINC000153604357 276840686 /nfs/dbraw/zinc/84/06/86/276840686.db2.gz SBDGGTJNUIXKIM-GFCCVEGCSA-N 1 0 309.414 -0.228 20 30 DBEDRO COCCC[N@H+](C)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337078764 277205688 /nfs/dbraw/zinc/20/56/88/277205688.db2.gz VINYYZRAHLESLB-LBPRGKRZSA-N 1 0 320.415 -0.987 20 30 DBEDRO C[NH+]=C(NC[C@H](C)C(=O)OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262024367 277752179 /nfs/dbraw/zinc/75/21/79/277752179.db2.gz ZKRBYMQODXITJD-JTQLQIEISA-N 1 0 319.427 -0.120 20 30 DBEDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336924514 290388938 /nfs/dbraw/zinc/38/89/38/290388938.db2.gz UFASMUYHNIZHBB-QWHCGFSZSA-N 1 0 316.427 -0.080 20 30 DBEDRO Cn1c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C#N)c(=O)n(C)c1=O ZINC000268810746 294161150 /nfs/dbraw/zinc/16/11/50/294161150.db2.gz HEYGRTORPMHXRW-WCQYABFASA-N 1 0 317.393 -0.124 20 30 DBEDRO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000564937387 332131380 /nfs/dbraw/zinc/13/13/80/332131380.db2.gz LESOUHLMEQSSAD-QWHCGFSZSA-N 1 0 311.430 -0.258 20 30 DBEDRO C#CCNC(=O)CN1CCCN(C(=O)N2CCOCC2)CC1 ZINC000181648033 332205712 /nfs/dbraw/zinc/20/57/12/332205712.db2.gz VODNYAKUTJALSX-UHFFFAOYSA-N 1 0 308.382 -0.804 20 30 DBEDRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[NH2+]1 ZINC000566252627 332282920 /nfs/dbraw/zinc/28/29/20/332282920.db2.gz HIAXLOMCCOAZOK-LLVKDONJSA-N 1 0 322.390 -0.343 20 30 DBEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNS(C)(=O)=O)CC1 ZINC000106258435 335103329 /nfs/dbraw/zinc/10/33/29/335103329.db2.gz YITUGYHYWYNQHB-UHFFFAOYSA-N 1 0 318.443 -0.125 20 30 DBEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@H](C#N)C2)C1 ZINC000106311647 335103629 /nfs/dbraw/zinc/10/36/29/335103629.db2.gz LERYBHPVUQPTRR-CABCVRRESA-N 1 0 324.425 -0.316 20 30 DBEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000293198077 335104796 /nfs/dbraw/zinc/10/47/96/335104796.db2.gz AFHYYKOZYKPIRO-UHFFFAOYSA-N 1 0 321.381 -0.461 20 30 DBEDRO CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000570153867 332718341 /nfs/dbraw/zinc/71/83/41/332718341.db2.gz GCYBDXFDDYVICB-SNVBAGLBSA-N 1 0 304.416 -0.158 20 30 DBEDRO C#CC[N@H+](C)CCCNC(=O)[C@](C)(O)Cn1c(C)cccc1=O ZINC000294087371 335119992 /nfs/dbraw/zinc/11/99/92/335119992.db2.gz XFHVLUFYDZGCEZ-QGZVFWFLSA-N 1 0 319.405 -0.021 20 30 DBEDRO C=CCNC(=O)CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185928115 335154958 /nfs/dbraw/zinc/15/49/58/335154958.db2.gz VGAWODALEHBHML-CYBMUJFWSA-N 1 0 311.430 -0.386 20 30 DBEDRO COC(=O)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)OC ZINC000291939517 334183221 /nfs/dbraw/zinc/18/32/21/334183221.db2.gz PKMPVQYFPSTLLO-LLVKDONJSA-N 1 0 322.369 -0.899 20 30 DBEDRO COC(=O)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)OC ZINC000291939518 334183250 /nfs/dbraw/zinc/18/32/50/334183250.db2.gz PKMPVQYFPSTLLO-NSHDSACASA-N 1 0 322.369 -0.899 20 30 DBEDRO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000328763319 334752652 /nfs/dbraw/zinc/75/26/52/334752652.db2.gz ZJNGLOLUQROVQA-NWDGAFQWSA-N 1 0 318.443 -0.182 20 30 DBEDRO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000330402301 334778381 /nfs/dbraw/zinc/77/83/81/334778381.db2.gz VASKDIZHSNFLBN-QWHCGFSZSA-N 1 0 317.459 -0.452 20 30 DBEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000330407454 334779205 /nfs/dbraw/zinc/77/92/05/334779205.db2.gz GSEBWTONBNMSRR-GFCCVEGCSA-N 1 0 318.443 -0.098 20 30 DBEDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)N(C)CCC#N ZINC000330639778 334794472 /nfs/dbraw/zinc/79/44/72/334794472.db2.gz DLXZOTIINJHUCJ-LBPRGKRZSA-N 1 0 303.432 -0.698 20 30 DBEDRO COC[C@H](C)NC(=O)NC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000330665556 334796953 /nfs/dbraw/zinc/79/69/53/334796953.db2.gz ZUPNRJJWKQLFLE-SRVKXCTJSA-N 1 0 300.403 -0.067 20 30 DBEDRO CNC(=O)NCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000330630870 334798712 /nfs/dbraw/zinc/79/87/12/334798712.db2.gz DUDOCAMLXJOVKR-NSHDSACASA-N 1 0 300.403 -0.329 20 30 DBEDRO CCOC(=O)C1(O)CC[NH+](CCC(=O)NC(=O)NC)CC1 ZINC000331019020 334826710 /nfs/dbraw/zinc/82/67/10/334826710.db2.gz ZSYOVHAYBBGRNP-UHFFFAOYSA-N 1 0 301.343 -0.574 20 30 DBEDRO CC[NH+]1CCC(NC(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000331249091 334850930 /nfs/dbraw/zinc/85/09/30/334850930.db2.gz XKHMTBQFGAFQCH-UHFFFAOYSA-N 1 0 321.447 -0.630 20 30 DBEDRO [NH2+]=C(NCCNS(=O)(=O)c1cccs1)N1CCOCC1 ZINC000160490200 334874617 /nfs/dbraw/zinc/87/46/17/334874617.db2.gz GOCLDBNUUZFFBC-UHFFFAOYSA-N 1 0 318.424 -0.327 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[NH+]2CCCC2)C1=O ZINC000343861027 335198375 /nfs/dbraw/zinc/19/83/75/335198375.db2.gz JOKGSYFJWGQOSL-UHFFFAOYSA-N 1 0 322.365 -0.483 20 30 DBEDRO C[NH+]1CCN(c2cccc(C(=O)NCC(=O)NCC#N)n2)CC1 ZINC000344165437 335226687 /nfs/dbraw/zinc/22/66/87/335226687.db2.gz REJVLRNAWCVRCV-UHFFFAOYSA-N 1 0 316.365 -0.797 20 30 DBEDRO C[C@@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000583565729 335735949 /nfs/dbraw/zinc/73/59/49/335735949.db2.gz LEMRUSCZVMRMOT-JTQLQIEISA-N 1 0 310.379 -0.452 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000105934483 335790561 /nfs/dbraw/zinc/79/05/61/335790561.db2.gz 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C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132782057 830696479 /nfs/dbraw/zinc/69/64/79/830696479.db2.gz INXXGZCLNZOCLK-KBPBESRZSA-N 1 0 323.437 -0.029 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132808151 830699703 /nfs/dbraw/zinc/69/97/03/830699703.db2.gz LTUQVQYMTAOODL-OLZOCXBDSA-N 1 0 324.425 -0.218 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823655 830700691 /nfs/dbraw/zinc/70/06/91/830700691.db2.gz JZOBJJLYYKINRV-UONOGXRCSA-N 1 0 320.397 -0.603 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001132843854 830704038 /nfs/dbraw/zinc/70/40/38/830704038.db2.gz FGJWYQDULPGSPN-UHFFFAOYSA-N 1 0 306.366 -0.272 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)CC[C@@H]1C ZINC001132875164 830710186 /nfs/dbraw/zinc/71/01/86/830710186.db2.gz UIWXRTKHUNAMHY-UONOGXRCSA-N 1 0 309.410 -0.154 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnc(C)n2C)C1=O ZINC001132889409 830711753 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COCC#CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133034493 830736245 /nfs/dbraw/zinc/73/62/45/830736245.db2.gz DMSGKMHTHXMFIO-STQMWFEESA-N 1 0 320.397 -0.452 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCCS(N)(=O)=O)CC[C@@H]1C ZINC001133087624 830740122 /nfs/dbraw/zinc/74/01/22/830740122.db2.gz RHFWJOKHUCKUAL-STQMWFEESA-N 1 0 315.439 -0.238 20 30 DBEDRO N#Cc1cc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)ccc1F ZINC001133129484 830745877 /nfs/dbraw/zinc/74/58/77/830745877.db2.gz ZLUQDJMZNVIAND-GFCCVEGCSA-N 1 0 305.313 -0.415 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001133165195 830748145 /nfs/dbraw/zinc/74/81/45/830748145.db2.gz CRHACRALRROXKR-AAEUAGOBSA-N 1 0 305.378 -0.253 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1C ZINC001133181998 830748751 /nfs/dbraw/zinc/74/87/51/830748751.db2.gz MKDMAVKZCHXZED-NWDGAFQWSA-N 1 0 320.397 -0.205 20 30 DBEDRO C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133181971 830749003 /nfs/dbraw/zinc/74/90/03/830749003.db2.gz LVQMGDFLIOTDHW-QWRGUYRKSA-N 1 0 320.353 -0.603 20 30 DBEDRO COc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C)c1 ZINC001133193508 830752987 /nfs/dbraw/zinc/75/29/87/830752987.db2.gz SPQAPNZPCCFNSV-UHFFFAOYSA-N 1 0 304.350 -0.037 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001133234580 830760378 /nfs/dbraw/zinc/76/03/78/830760378.db2.gz TXEHHQFUKGWSMX-CHWSQXEVSA-N 1 0 320.393 -0.364 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C ZINC001133249686 830761152 /nfs/dbraw/zinc/76/11/52/830761152.db2.gz IZQNMPQPHAPPCP-QWHCGFSZSA-N 1 0 320.393 -0.412 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)CC[C@H]1C ZINC001133297300 830765161 /nfs/dbraw/zinc/76/51/61/830765161.db2.gz IVDXCPJHMWDBHL-VXGBXAGGSA-N 1 0 315.377 -0.104 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133301897 830765453 /nfs/dbraw/zinc/76/54/53/830765453.db2.gz MFWDCIROUGUEHP-UONOGXRCSA-N 1 0 324.425 -0.231 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001133336551 830769565 /nfs/dbraw/zinc/76/95/65/830769565.db2.gz CDXQNKFVMHTKES-VXGBXAGGSA-N 1 0 320.397 -0.363 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CCOCC1 ZINC001133530697 830787733 /nfs/dbraw/zinc/78/77/33/830787733.db2.gz SCGUGTXCMUYMBT-VXGBXAGGSA-N 1 0 310.398 -0.074 20 30 DBEDRO C=C1CC(C)(C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133566020 830788631 /nfs/dbraw/zinc/78/86/31/830788631.db2.gz QXKVLAOXDTXVQB-UHFFFAOYSA-N 1 0 320.393 -0.354 20 30 DBEDRO C=C1CC(C)(C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133565624 830788737 /nfs/dbraw/zinc/78/87/37/830788737.db2.gz DUUSSHLATQYXAM-GFCCVEGCSA-N 1 0 323.393 -0.442 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)c1 ZINC001133593026 830791338 /nfs/dbraw/zinc/79/13/38/830791338.db2.gz KSSMFMLMSXDBKA-UHFFFAOYSA-N 1 0 324.406 -0.726 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)NCCOCC)c1 ZINC001133592854 830791402 /nfs/dbraw/zinc/79/14/02/830791402.db2.gz DSEODGNPOZRECY-UHFFFAOYSA-N 1 0 318.377 -0.465 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610601 830791676 /nfs/dbraw/zinc/79/16/76/830791676.db2.gz HNECYIADUHKIPL-NXEZZACHSA-N 1 0 320.353 -0.692 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001133610511 830791836 /nfs/dbraw/zinc/79/18/36/830791836.db2.gz GQNDXCUHNVKIFO-QWRGUYRKSA-N 1 0 321.381 -0.029 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001133667519 830804828 /nfs/dbraw/zinc/80/48/28/830804828.db2.gz HAEOWQPAMYPEPY-RYUDHWBXSA-N 1 0 317.393 -0.327 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1 ZINC001133666288 830805280 /nfs/dbraw/zinc/80/52/80/830805280.db2.gz GLPJHDRVOJZTAS-QWRGUYRKSA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cccn1 ZINC001133675727 830806593 /nfs/dbraw/zinc/80/65/93/830806593.db2.gz UWMHMSKHJGLDSN-OLZOCXBDSA-N 1 0 305.382 -0.495 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cccn1 ZINC001133726244 830814191 /nfs/dbraw/zinc/81/41/91/830814191.db2.gz GBKUHJFLKKEHIN-KGLIPLIRSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(CC)c1CC ZINC001133763312 830820480 /nfs/dbraw/zinc/82/04/80/830820480.db2.gz QOLKOPUWJISMMB-NSHDSACASA-N 1 0 320.397 -0.682 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772591 830822322 /nfs/dbraw/zinc/82/23/22/830822322.db2.gz ASAIJMKLBYJYGX-VXGBXAGGSA-N 1 0 324.425 -0.312 20 30 DBEDRO N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001133771053 830822575 /nfs/dbraw/zinc/82/25/75/830822575.db2.gz MCCKVIFTFLQEJF-UONOGXRCSA-N 1 0 316.361 -0.203 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CNC(=O)C1CC1 ZINC001133774742 830823694 /nfs/dbraw/zinc/82/36/94/830823694.db2.gz QZIINTRORKMZAX-GHMZBOCLSA-N 1 0 323.397 -0.975 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnsn1 ZINC001133784103 830825036 /nfs/dbraw/zinc/82/50/36/830825036.db2.gz FSYHHXDAHRQAMQ-NXEZZACHSA-N 1 0 309.395 -0.226 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)COCC1CC1)[NH2+]CC(=O)NCC#N ZINC001133779096 830825353 /nfs/dbraw/zinc/82/53/53/830825353.db2.gz KOSNKPLBEPMXMH-NEPJUHHUSA-N 1 0 310.398 -0.074 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001133813462 830830490 /nfs/dbraw/zinc/83/04/90/830830490.db2.gz WDCYZDSWVSVEJA-LLVKDONJSA-N 1 0 320.397 -0.510 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133836850 830835351 /nfs/dbraw/zinc/83/53/51/830835351.db2.gz VBJOBKJSHZDLNJ-RYUDHWBXSA-N 1 0 304.412 -0.446 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CCOCC1 ZINC001133860216 830841753 /nfs/dbraw/zinc/84/17/53/830841753.db2.gz WVJFZTWYJFROSU-UHFFFAOYSA-N 1 0 300.334 -0.902 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001133866902 830842462 /nfs/dbraw/zinc/84/24/62/830842462.db2.gz OHGJKOKDUDUWCZ-QWRGUYRKSA-N 1 0 305.382 -0.046 20 30 DBEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133888377 830849636 /nfs/dbraw/zinc/84/96/36/830849636.db2.gz IYYITURWOFYNIG-CHWSQXEVSA-N 1 0 324.425 -0.216 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)[NH2+]CC(=O)NCC#N ZINC001133897326 830850990 /nfs/dbraw/zinc/85/09/90/830850990.db2.gz SVLOGSADHDKNFL-NEPJUHHUSA-N 1 0 320.397 -0.525 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001133910319 830853315 /nfs/dbraw/zinc/85/33/15/830853315.db2.gz YPGXUGMHSWICOC-UWVGGRQHSA-N 1 0 300.359 -0.743 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001133913740 830853466 /nfs/dbraw/zinc/85/34/66/830853466.db2.gz WAFAGVJPANYUSG-NEPJUHHUSA-N 1 0 321.443 -0.389 20 30 DBEDRO COCCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133926313 830858922 /nfs/dbraw/zinc/85/89/22/830858922.db2.gz GMWGUGPHKBYNOL-VXGBXAGGSA-N 1 0 314.386 -0.838 20 30 DBEDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N ZINC001133942856 830861033 /nfs/dbraw/zinc/86/10/33/830861033.db2.gz IMJNEVCXYKNQCU-OLZOCXBDSA-N 1 0 316.361 -0.106 20 30 DBEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133946806 830862235 /nfs/dbraw/zinc/86/22/35/830862235.db2.gz IFMZTGJWHIRGMD-UPJWGTAASA-N 1 0 324.425 -0.373 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1nccnc1N ZINC001133953377 830864448 /nfs/dbraw/zinc/86/44/48/830864448.db2.gz IFAPMUXDTSZGCD-UWVGGRQHSA-N 1 0 319.369 -0.815 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1cc[nH]n1)[NH2+]CC(=O)NCC#N ZINC001133974552 830868399 /nfs/dbraw/zinc/86/83/99/830868399.db2.gz NHNKTEYDZFXXDI-MNOVXSKESA-N 1 0 306.370 -0.535 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001133995181 830871487 /nfs/dbraw/zinc/87/14/87/830871487.db2.gz XPACEKOVQHSDRX-GHMZBOCLSA-N 1 0 322.413 -0.088 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCc1ccncc1 ZINC001134025203 830878715 /nfs/dbraw/zinc/87/87/15/830878715.db2.gz QFVQMRKSYFHIHF-CYBMUJFWSA-N 1 0 318.377 -0.558 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCc1ccncc1 ZINC001134025204 830879023 /nfs/dbraw/zinc/87/90/23/830879023.db2.gz QFVQMRKSYFHIHF-ZDUSSCGKSA-N 1 0 318.377 -0.558 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134033035 830881159 /nfs/dbraw/zinc/88/11/59/830881159.db2.gz HSDKJONLVYVLOL-OCCSQVGLSA-N 1 0 310.398 -0.121 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001134061858 830885077 /nfs/dbraw/zinc/88/50/77/830885077.db2.gz GVFUIKQJPLHYND-NEPJUHHUSA-N 1 0 319.365 -0.288 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cc[nH]c(=O)c1 ZINC001134073454 830885247 /nfs/dbraw/zinc/88/52/47/830885247.db2.gz RTQKWDCFBYPYON-QWRGUYRKSA-N 1 0 319.365 -0.087 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134061938 830885522 /nfs/dbraw/zinc/88/55/22/830885522.db2.gz KRUGRVWZRAVPDO-NEPJUHHUSA-N 1 0 309.366 -0.568 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001134105195 830888866 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DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C ZINC001183432683 833717150 /nfs/dbraw/zinc/71/71/50/833717150.db2.gz LMWFWNAJHHRPRF-MBNYWOFBSA-N 1 0 315.439 -0.062 20 30 DBEDRO CC#CC[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183448548 833717204 /nfs/dbraw/zinc/71/72/04/833717204.db2.gz ATIAZALHQBWELT-TZMCWYRMSA-N 1 0 315.439 -0.367 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)CS(=O)(=O)NC)C[C@H]1C ZINC001183449019 833717238 /nfs/dbraw/zinc/71/72/38/833717238.db2.gz OHDLXNYZDQVQQC-DGCLKSJQSA-N 1 0 303.428 -0.204 20 30 DBEDRO N#Cc1cccc(C[NH2+]CCNC(=O)CN2CC(=O)NC2=O)c1 ZINC001135457918 831073297 /nfs/dbraw/zinc/07/32/97/831073297.db2.gz XTPQLLLGYLGUMV-UHFFFAOYSA-N 1 0 315.333 -0.684 20 30 DBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001135460623 831073880 /nfs/dbraw/zinc/07/38/80/831073880.db2.gz PRHAQDIXOQEAGB-BDAKNGLRSA-N 1 0 315.399 -0.270 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(=O)n(CC)n1 ZINC001135486134 831076398 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CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001135568640 831090123 /nfs/dbraw/zinc/09/01/23/831090123.db2.gz RCPGXDGEPKCCJO-NEPJUHHUSA-N 1 0 318.443 -0.721 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001135568315 831090568 /nfs/dbraw/zinc/09/05/68/831090568.db2.gz LDUMGLUAPRCKHV-VXGBXAGGSA-N 1 0 320.459 -0.169 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc2ncccn2n1 ZINC001135582882 831092285 /nfs/dbraw/zinc/09/22/85/831092285.db2.gz ZTYQAOQARCSECO-UHFFFAOYSA-N 1 0 302.338 -0.649 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001135592104 831093439 /nfs/dbraw/zinc/09/34/39/831093439.db2.gz CARLGYJTVTVVBI-WDEREUQCSA-N 1 0 324.381 -0.144 20 30 DBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC)nn1 ZINC001135639896 831099081 /nfs/dbraw/zinc/09/90/81/831099081.db2.gz SYHMEHCCTCHRFS-QWRGUYRKSA-N 1 0 308.386 -0.303 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC)nn1 ZINC001135639897 831099431 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(CC)nn1C ZINC001135684562 831107740 /nfs/dbraw/zinc/10/77/40/831107740.db2.gz MWCOUMQBZXNVPR-LLVKDONJSA-N 1 0 305.382 -0.560 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001135682331 831107813 /nfs/dbraw/zinc/10/78/13/831107813.db2.gz HDQHZPVLPRLAHU-WDEREUQCSA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135686882 831108437 /nfs/dbraw/zinc/10/84/37/831108437.db2.gz NEADZCKTXISJKK-OLZOCXBDSA-N 1 0 320.393 -0.177 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692266 831109575 /nfs/dbraw/zinc/10/95/75/831109575.db2.gz HSZMKZPAFBCJEZ-NEPJUHHUSA-N 1 0 324.381 -0.939 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CCC)c1C ZINC001135710200 831112211 /nfs/dbraw/zinc/11/22/11/831112211.db2.gz XRUDYTGJDJLSAN-UHFFFAOYSA-N 1 0 305.382 -0.330 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001135763721 831118696 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C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCCC(N)=O ZINC001135889964 831132286 /nfs/dbraw/zinc/13/22/86/831132286.db2.gz CFVRZVZYPIQQTE-OLZOCXBDSA-N 1 0 324.425 -0.346 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135973373 831144096 /nfs/dbraw/zinc/14/40/96/831144096.db2.gz YZCYMPVAQGTCOT-LLVKDONJSA-N 1 0 318.381 -0.855 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cn(C(C)C)nn2)C1=O ZINC001135992704 831145261 /nfs/dbraw/zinc/14/52/61/831145261.db2.gz MFDQLBKXIWSKBI-GFCCVEGCSA-N 1 0 320.397 -0.035 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001136012007 831148718 /nfs/dbraw/zinc/14/87/18/831148718.db2.gz ISKCKYNSCFOPQW-QWHCGFSZSA-N 1 0 321.425 -0.005 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001136012005 831148748 /nfs/dbraw/zinc/14/87/48/831148748.db2.gz ISKCKYNSCFOPQW-CHWSQXEVSA-N 1 0 321.425 -0.005 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cnc1C ZINC001136031384 831151527 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C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1CC ZINC001268305351 835654516 /nfs/dbraw/zinc/65/45/16/835654516.db2.gz UQQSMVQXOYUYIN-NSHDSACASA-N 1 0 306.366 -0.993 20 30 DBEDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)nn1 ZINC001268305994 835654585 /nfs/dbraw/zinc/65/45/85/835654585.db2.gz USEPBEUKTDVPIZ-ZDUSSCGKSA-N 1 0 304.350 -0.535 20 30 DBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001268304644 835654848 /nfs/dbraw/zinc/65/48/48/835654848.db2.gz MWYBVYOBWBEFNK-CQSZACIVSA-N 1 0 307.394 -0.475 20 30 DBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCCO[C@H]1CCOC1 ZINC001268306271 835655344 /nfs/dbraw/zinc/65/53/44/835655344.db2.gz VWMPVCDFSGLJMV-CABCVRRESA-N 1 0 312.410 -0.092 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001268307133 835655386 /nfs/dbraw/zinc/65/53/86/835655386.db2.gz FXKQPAMMISZIFR-CYBMUJFWSA-N 1 0 321.381 -0.667 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001268307048 835655473 /nfs/dbraw/zinc/65/54/73/835655473.db2.gz 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301.412 -0.520 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001486134009 1013694063 /nfs/dbraw/zinc/69/40/63/1013694063.db2.gz AMEYYBRVJWQRDS-VXGBXAGGSA-N 1 0 310.398 -0.477 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CC(=O)NC)C[C@@H]2C)nn1 ZINC001486129609 1013695115 /nfs/dbraw/zinc/69/51/15/1013695115.db2.gz NIMPTHKHZXVXCG-WDEREUQCSA-N 1 0 306.370 -0.597 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cncnc2)C1 ZINC001486199122 1013711819 /nfs/dbraw/zinc/71/18/19/1013711819.db2.gz UEZPEUPBGRAGTA-OCCSQVGLSA-N 1 0 315.377 -0.286 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001486202011 1013713225 /nfs/dbraw/zinc/71/32/25/1013713225.db2.gz IRWQQUCOJZVTDV-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cncnc2)C1 ZINC001486199120 1013713432 /nfs/dbraw/zinc/71/34/32/1013713432.db2.gz UEZPEUPBGRAGTA-GXTWGEPZSA-N 1 0 315.377 -0.286 20 30 DBEDRO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 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WHZSBNYDPDHGBJ-NSHDSACASA-N 1 0 321.356 -0.262 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C ZINC001486249596 1013729145 /nfs/dbraw/zinc/72/91/45/1013729145.db2.gz OZEQXZBYYPDQKY-LLVKDONJSA-N 1 0 303.428 -0.062 20 30 DBEDRO C=CCC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)NC)CC1(C)C ZINC001486249597 1013729984 /nfs/dbraw/zinc/72/99/84/1013729984.db2.gz OZEQXZBYYPDQKY-NSHDSACASA-N 1 0 303.428 -0.062 20 30 DBEDRO C#CCC[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC1(C)C ZINC001486248229 1013730542 /nfs/dbraw/zinc/73/05/42/1013730542.db2.gz ALFOQNBYKFMMKQ-NSHDSACASA-N 1 0 306.366 -0.612 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccccc1C ZINC001486257290 1013732163 /nfs/dbraw/zinc/73/21/63/1013732163.db2.gz PFSAJWRBSIKIHO-CQSZACIVSA-N 1 0 317.389 -0.233 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn1C ZINC001486261806 1013742776 /nfs/dbraw/zinc/74/27/76/1013742776.db2.gz MLJZXGFOMRAQAZ-CHWSQXEVSA-N 1 0 320.393 -0.815 20 30 DBEDRO Cc1cc(NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)no1 ZINC001486267384 1013754845 /nfs/dbraw/zinc/75/48/45/1013754845.db2.gz MLLHAFOMEQXVQZ-MWLCHTKSSA-N 1 0 323.353 -0.510 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486269149 1013757358 /nfs/dbraw/zinc/75/73/58/1013757358.db2.gz YJLMATXJSXBRIN-NWDGAFQWSA-N 1 0 305.806 -0.522 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486269148 1013758177 /nfs/dbraw/zinc/75/81/77/1013758177.db2.gz YJLMATXJSXBRIN-NEPJUHHUSA-N 1 0 305.806 -0.522 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001486272544 1013765017 /nfs/dbraw/zinc/76/50/17/1013765017.db2.gz KDCOLVJOOHWQGB-CYBMUJFWSA-N 1 0 321.381 -0.890 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001486274630 1013769091 /nfs/dbraw/zinc/76/90/91/1013769091.db2.gz KJSFBOWVYDSRKR-HOCLYGCPSA-N 1 0 324.425 -0.035 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cn(C)nc1C ZINC001486274629 1013769278 /nfs/dbraw/zinc/76/92/78/1013769278.db2.gz KJSFBOWVYDSRKR-GOEBONIOSA-N 1 0 324.425 -0.035 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001486282942 1013782633 /nfs/dbraw/zinc/78/26/33/1013782633.db2.gz MWEDQZINBZWQBG-GFCCVEGCSA-N 1 0 323.397 -0.947 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)[C@@]1(C)CC=CCC1 ZINC001486281321 1013779406 /nfs/dbraw/zinc/77/94/06/1013779406.db2.gz PQKYCNQYYWOMOD-BBRMVZONSA-N 1 0 322.409 -0.219 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn2ccncc12 ZINC001486281017 1013779652 /nfs/dbraw/zinc/77/96/52/1013779652.db2.gz LVLNKRWNOCFBST-LBPRGKRZSA-N 1 0 301.350 -0.225 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC001486283969 1013784560 /nfs/dbraw/zinc/78/45/60/1013784560.db2.gz DQEWGCIWPWMULM-LBPRGKRZSA-N 1 0 306.366 -0.567 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C2CC2)CC1 ZINC001486283332 1013784940 /nfs/dbraw/zinc/78/49/40/1013784940.db2.gz VNWXARHGTSDMAU-CYBMUJFWSA-N 1 0 307.394 -0.665 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CS(=O)(=O)C1CCCC1 ZINC001486283789 1013785854 /nfs/dbraw/zinc/78/58/54/1013785854.db2.gz CUDMYISLJGFSBJ-LBPRGKRZSA-N 1 0 316.423 -0.614 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC001486286087 1013786636 /nfs/dbraw/zinc/78/66/36/1013786636.db2.gz UENOSZPNOOVVAH-LBPRGKRZSA-N 1 0 308.382 -0.015 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2nncn2CC1 ZINC001486290003 1013790230 /nfs/dbraw/zinc/79/02/30/1013790230.db2.gz IGYLJBCTMJCDQV-CHWSQXEVSA-N 1 0 307.398 -0.175 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001486289099 1013791108 /nfs/dbraw/zinc/79/11/08/1013791108.db2.gz HXIJWRDEDDXPRS-NSHDSACASA-N 1 0 324.772 -0.101 20 30 DBEDRO Cc1coc(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC001486295664 1013795308 /nfs/dbraw/zinc/79/53/08/1013795308.db2.gz KIBQRQKPABMGAR-NSHDSACASA-N 1 0 308.338 -0.750 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C1CCC1 ZINC001486293322 1013797048 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DBEDRO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001378489123 990989640 /nfs/dbraw/zinc/98/96/40/990989640.db2.gz FAGMFFYDCGGTMW-MFKMUULPSA-N 1 0 306.366 -0.056 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)COC ZINC001378494247 990993480 /nfs/dbraw/zinc/99/34/80/990993480.db2.gz IVBVNHLHQBZNLQ-CYBMUJFWSA-N 1 0 310.398 -0.024 20 30 DBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)C[NH2+]CC(=O)Nc1cnccn1 ZINC001378561826 991036317 /nfs/dbraw/zinc/03/63/17/991036317.db2.gz UHECZQKFJWCQLI-QWRGUYRKSA-N 1 0 304.354 -0.083 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001491764357 1015611263 /nfs/dbraw/zinc/61/12/63/1015611263.db2.gz USOYFBRYKAAGKD-VIFPVBQESA-N 1 0 306.322 -0.276 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC(=O)NCC)C1 ZINC001491765609 1015613940 /nfs/dbraw/zinc/61/39/40/1015613940.db2.gz IGKHFTSFEBDPSW-ZDUSSCGKSA-N 1 0 322.409 -0.767 20 30 DBEDRO CCn1nc(C)c(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001491775244 1015617293 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DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001491798517 1015627702 /nfs/dbraw/zinc/62/77/02/1015627702.db2.gz URDJRQQKUXOMDB-ZDUSSCGKSA-N 1 0 317.393 -0.296 20 30 DBEDRO CO[C@@H](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491798847 1015628069 /nfs/dbraw/zinc/62/80/69/1015628069.db2.gz ZJGVZHIYDORFDM-STQMWFEESA-N 1 0 310.398 -0.121 20 30 DBEDRO CC(=O)NCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379157149 991363606 /nfs/dbraw/zinc/36/36/06/991363606.db2.gz WFMOQUPWBVVULY-AWEZNQCLSA-N 1 0 304.350 -0.739 20 30 DBEDRO CC(C)N(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N)C(C)C ZINC001379189826 991398133 /nfs/dbraw/zinc/39/81/33/991398133.db2.gz OPFGUDQTVJEFOB-QWHCGFSZSA-N 1 0 312.414 -0.142 20 30 DBEDRO Cn1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2C#N)nn1 ZINC001379195598 991407696 /nfs/dbraw/zinc/40/76/96/991407696.db2.gz CMBCBCZTGZJDIC-ZDUSSCGKSA-N 1 0 314.349 -0.433 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001491809739 1015635137 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301.412 -0.566 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001379862004 991989229 /nfs/dbraw/zinc/98/92/29/991989229.db2.gz IVCLVEMYLSICQH-SNVBAGLBSA-N 1 0 316.789 -0.501 20 30 DBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCN1CCCC1=O ZINC001379914211 992026104 /nfs/dbraw/zinc/02/61/04/992026104.db2.gz RNYXSXQAGFMBOO-STQMWFEESA-N 1 0 310.398 -0.480 20 30 DBEDRO CC(C)CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H](C)C#N)CC1 ZINC001380070884 992121436 /nfs/dbraw/zinc/12/14/36/992121436.db2.gz YCAUAJAFHFCUHM-LLVKDONJSA-N 1 0 323.397 -0.134 20 30 DBEDRO C=C(Cl)C[NH2+]C1(CNC(=O)CCS(=O)(=O)NC)CC1 ZINC001380087310 992132316 /nfs/dbraw/zinc/13/23/16/992132316.db2.gz WKVYWKZZZYIVSD-UHFFFAOYSA-N 1 0 309.819 -0.083 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001491979111 1015685846 /nfs/dbraw/zinc/68/58/46/1015685846.db2.gz HMAUYKFITWKCMU-GHMZBOCLSA-N 1 0 319.365 -0.582 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)c1ccnn1C ZINC001491993128 1015688456 /nfs/dbraw/zinc/68/84/56/1015688456.db2.gz FJOCTEFBTVUAHT-NEPJUHHUSA-N 1 0 305.382 -0.344 20 30 DBEDRO CC(C)C#CC(=O)NCC[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001492020141 1015696059 /nfs/dbraw/zinc/69/60/59/1015696059.db2.gz JXHDIKTYCXQGMV-LBPRGKRZSA-N 1 0 303.428 -0.321 20 30 DBEDRO C#CCOCCC(=O)NCC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001492022435 1015697569 /nfs/dbraw/zinc/69/75/69/1015697569.db2.gz QWGVFUCFHVNRHL-NWDGAFQWSA-N 1 0 309.366 -0.684 20 30 DBEDRO CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001380525216 992355888 /nfs/dbraw/zinc/35/58/88/992355888.db2.gz BHBJNFHODNQDLE-BONVTDFDSA-N 1 0 319.365 -0.813 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001492077238 1015709269 /nfs/dbraw/zinc/70/92/69/1015709269.db2.gz BJPCEBRNOCMIDF-SNVBAGLBSA-N 1 0 309.370 -0.474 20 30 DBEDRO C=CC[NH2+][C@H](C)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001492096422 1015714621 /nfs/dbraw/zinc/71/46/21/1015714621.db2.gz FBSWHLLXHHOORV-GFCCVEGCSA-N 1 0 308.386 -0.151 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1cncn1C ZINC001492110640 1015717632 /nfs/dbraw/zinc/71/76/32/1015717632.db2.gz MOTUOXRKKYOVIU-LBPRGKRZSA-N 1 0 305.382 -0.804 20 30 DBEDRO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001492121229 1015719688 /nfs/dbraw/zinc/71/96/88/1015719688.db2.gz CDTOBIIZWGOZHJ-SECBINFHSA-N 1 0 302.762 -0.225 20 30 DBEDRO C#CC[NH2+][C@H](C)CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001492127791 1015721157 /nfs/dbraw/zinc/72/11/57/1015721157.db2.gz VAOSFGDAZOZWRA-LLVKDONJSA-N 1 0 303.428 -0.178 20 30 DBEDRO C[C@@H](C#N)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380979438 992617801 /nfs/dbraw/zinc/61/78/01/992617801.db2.gz ICCOHHZVHMPPED-YNEHKIRRSA-N 1 0 322.409 -0.434 20 30 DBEDRO CCC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001381010027 992631785 /nfs/dbraw/zinc/63/17/85/992631785.db2.gz DMNURVCWLQWIQW-SNVBAGLBSA-N 1 0 309.370 -0.298 20 30 DBEDRO CC[C@@H](C(=O)NC1(CCO)CN(C(=O)[C@H](C)C#N)C1)[NH+](C)C ZINC001381013971 992633468 /nfs/dbraw/zinc/63/34/68/992633468.db2.gz HAJHWNDFYYTDRA-NEPJUHHUSA-N 1 0 310.398 -0.434 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001492133744 1015723454 /nfs/dbraw/zinc/72/34/54/1015723454.db2.gz QEHFUIQUJZKNMP-OLZOCXBDSA-N 1 0 318.439 -0.199 20 30 DBEDRO C[C@H](C#N)C(=O)NC1(CO)CC[NH+](CCN2CCCC2=O)CC1 ZINC001381246200 992727006 /nfs/dbraw/zinc/72/70/06/992727006.db2.gz GRKXCZHRTCMOLF-CYBMUJFWSA-N 1 0 322.409 -0.288 20 30 DBEDRO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001492178805 1015730043 /nfs/dbraw/zinc/73/00/43/1015730043.db2.gz RQUIVCVCALEZLD-LBPRGKRZSA-N 1 0 318.381 -0.629 20 30 DBEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001381954072 992935532 /nfs/dbraw/zinc/93/55/32/992935532.db2.gz PXCKFNVXLRBVIT-YRGRVCCFSA-N 1 0 322.409 -0.074 20 30 DBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001381953927 992935695 /nfs/dbraw/zinc/93/56/95/992935695.db2.gz PMNZCNVIJLZDJG-NAKRPEOUSA-N 1 0 309.370 -0.525 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DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(F)nc1 ZINC001482716967 1011309967 /nfs/dbraw/zinc/30/99/67/1011309967.db2.gz UTPKAGVLZWUIDO-NSHDSACASA-N 1 0 310.329 -0.797 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC1CCCCC1 ZINC001482716900 1011310895 /nfs/dbraw/zinc/31/08/95/1011310895.db2.gz SZESWFDZLAYHSO-GXTWGEPZSA-N 1 0 324.425 -0.091 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1C ZINC001482718402 1011314852 /nfs/dbraw/zinc/31/48/52/1011314852.db2.gz HWBYGOYAGZPHSC-NEPJUHHUSA-N 1 0 306.366 -0.859 20 30 DBEDRO CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001482718931 1011315198 /nfs/dbraw/zinc/31/51/98/1011315198.db2.gz RMTUXRHJLJFKKI-NWDGAFQWSA-N 1 0 319.365 -0.813 20 30 DBEDRO C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001452632485 1011324326 /nfs/dbraw/zinc/32/43/26/1011324326.db2.gz WFOVDEDSPYJMKQ-CHWSQXEVSA-N 1 0 319.365 -0.860 20 30 DBEDRO CC[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482723257 1011327974 /nfs/dbraw/zinc/32/79/74/1011327974.db2.gz RTFBJPDBFAJRNH-CMPLNLGQSA-N 1 0 321.381 -0.519 20 30 DBEDRO CC[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482723265 1011328081 /nfs/dbraw/zinc/32/80/81/1011328081.db2.gz RTFBJPDBFAJRNH-PWSUYJOCSA-N 1 0 321.381 -0.519 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001482728519 1011337626 /nfs/dbraw/zinc/33/76/26/1011337626.db2.gz GWTQHNLGIYJOCR-RISCZKNCSA-N 1 0 309.341 -0.174 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nc(C)c1 ZINC001482733026 1011347172 /nfs/dbraw/zinc/34/71/72/1011347172.db2.gz IKYAJQVZHMEXRE-CQSZACIVSA-N 1 0 318.377 -0.872 20 30 DBEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001482736161 1011353822 /nfs/dbraw/zinc/35/38/22/1011353822.db2.gz UQFGNBHPTOBLTR-WDEREUQCSA-N 1 0 314.386 -0.747 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001482735883 1011355917 /nfs/dbraw/zinc/35/59/17/1011355917.db2.gz RXJCKCHDARWTCF-LBPRGKRZSA-N 1 0 317.349 -0.712 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001482738180 1011358940 /nfs/dbraw/zinc/35/89/40/1011358940.db2.gz AWQJXFRDADPNCF-BXUZGUMPSA-N 1 0 303.362 -0.234 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1nc2ncc(C)cn2n1 ZINC001482742813 1011368329 /nfs/dbraw/zinc/36/83/29/1011368329.db2.gz WRKNEHGHRCUMHH-NSHDSACASA-N 1 0 302.338 -0.864 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCS1(=O)=O ZINC001482753967 1011387357 /nfs/dbraw/zinc/38/73/57/1011387357.db2.gz BAAXQLPUUHFDCZ-NWDGAFQWSA-N 1 0 302.396 -0.956 20 30 DBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001482755276 1011389443 /nfs/dbraw/zinc/38/94/43/1011389443.db2.gz DIFLXZSDNOUWBJ-GFCCVEGCSA-N 1 0 308.382 -0.346 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001482755277 1011390071 /nfs/dbraw/zinc/39/00/71/1011390071.db2.gz DIFLXZSDNOUWBJ-LBPRGKRZSA-N 1 0 308.382 -0.346 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1nc(C)cc2C ZINC001482755984 1011393971 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COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001482765974 1011410119 /nfs/dbraw/zinc/41/01/19/1011410119.db2.gz DVVWMCUDLYNADX-GFCCVEGCSA-N 1 0 307.350 -0.118 20 30 DBEDRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)c1ccsc1 ZINC001482766669 1011412150 /nfs/dbraw/zinc/41/21/50/1011412150.db2.gz IVJRIZAKFJBIOR-ZYHUDNBSSA-N 1 0 324.406 -0.442 20 30 DBEDRO CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001482770657 1011419306 /nfs/dbraw/zinc/41/93/06/1011419306.db2.gz UNVDSARDKZZCMR-VIFPVBQESA-N 1 0 318.324 -0.872 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)o1 ZINC001482774138 1011427853 /nfs/dbraw/zinc/42/78/53/1011427853.db2.gz HLCONZIVUNQZNG-JTQLQIEISA-N 1 0 316.379 -0.061 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CCc1cn(C)nc1C ZINC001482776635 1011433233 /nfs/dbraw/zinc/43/32/33/1011433233.db2.gz ZCNIRGQYZISYEH-HNNXBMFYSA-N 1 0 322.409 -0.622 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC001482777926 1011434544 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COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001485168869 1013032176 /nfs/dbraw/zinc/03/21/76/1013032176.db2.gz MYVISHLCMWXTIX-ZJUUUORDSA-N 1 0 322.369 -0.835 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cncc1C ZINC001485177651 1013038034 /nfs/dbraw/zinc/03/80/34/1013038034.db2.gz QZZHFMMPLYOODZ-OLZOCXBDSA-N 1 0 307.398 -0.023 20 30 DBEDRO Cc1cncn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485178975 1013040463 /nfs/dbraw/zinc/04/04/63/1013040463.db2.gz XJWMTAGLKPHBKG-RYUDHWBXSA-N 1 0 306.370 -0.686 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncoc1C ZINC001496954656 1017127520 /nfs/dbraw/zinc/12/75/20/1017127520.db2.gz WQXVJDIRVRLAMT-GXSJLCMTSA-N 1 0 310.354 -0.646 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCNC(=O)C(F)(F)F ZINC001496955669 1017131335 /nfs/dbraw/zinc/13/13/35/1017131335.db2.gz SEBUFDPFENEEJN-RKDXNWHRSA-N 1 0 324.303 -0.719 20 30 DBEDRO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001496964366 1017138816 /nfs/dbraw/zinc/13/88/16/1017138816.db2.gz HSWFRARGOKRDLZ-ZDUSSCGKSA-N 1 0 316.365 -0.191 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001496966272 1017142514 /nfs/dbraw/zinc/14/25/14/1017142514.db2.gz YLQSRCIRBREWAN-DGCLKSJQSA-N 1 0 308.382 -0.604 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(C)coc1C ZINC001496976036 1017152452 /nfs/dbraw/zinc/15/24/52/1017152452.db2.gz LASGTZOPBZLJPS-LBPRGKRZSA-N 1 0 307.350 -0.674 20 30 DBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001496977192 1017155632 /nfs/dbraw/zinc/15/56/32/1017155632.db2.gz KZVOCKCOXVPUPU-OLZOCXBDSA-N 1 0 316.423 -0.853 20 30 DBEDRO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C)C1CC1 ZINC001496978863 1017158616 /nfs/dbraw/zinc/15/86/16/1017158616.db2.gz BHWWEDQGLBMDKQ-ZDUSSCGKSA-N 1 0 309.410 -0.277 20 30 DBEDRO CCC[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496981026 1017164004 /nfs/dbraw/zinc/16/40/04/1017164004.db2.gz QXOPGQDPAXRFSR-OCCSQVGLSA-N 1 0 309.410 -0.229 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(C)c1F ZINC001496985058 1017165887 /nfs/dbraw/zinc/16/58/87/1017165887.db2.gz QCZKTAITUKSGTC-GFCCVEGCSA-N 1 0 321.352 -0.436 20 30 DBEDRO CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001496982932 1017166744 /nfs/dbraw/zinc/16/67/44/1017166744.db2.gz WVQZKIUUILBUBE-CYBMUJFWSA-N 1 0 309.410 -0.275 20 30 DBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCCN1CCCC1=O ZINC001496982996 1017167182 /nfs/dbraw/zinc/16/71/82/1017167182.db2.gz WZWGNQTXQJVBMS-CQSZACIVSA-N 1 0 307.394 -0.521 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1C=CC=CC=C1 ZINC001496984278 1017167432 /nfs/dbraw/zinc/16/74/32/1017167432.db2.gz DLNJLGUVPQRILD-CQSZACIVSA-N 1 0 303.362 -0.899 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=C)Br ZINC001496986373 1017168882 /nfs/dbraw/zinc/16/88/82/1017168882.db2.gz UWENGLNNOBFCNR-QWRGUYRKSA-N 1 0 319.199 0.000 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1c(C)noc1C ZINC001496986419 1017169985 /nfs/dbraw/zinc/16/99/85/1017169985.db2.gz VDIQODYQGSFOOB-OLZOCXBDSA-N 1 0 309.366 -0.104 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1csc(NC(C)=O)n1 ZINC001497005299 1017187720 /nfs/dbraw/zinc/18/77/20/1017187720.db2.gz MLWZQLNNPOGEGR-SNVBAGLBSA-N 1 0 310.379 -0.195 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001497004479 1017189433 /nfs/dbraw/zinc/18/94/33/1017189433.db2.gz IRSHKGDAPVAKEE-LBPRGKRZSA-N 1 0 306.366 -0.487 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2[nH]ccc2n1 ZINC001497017498 1017195925 /nfs/dbraw/zinc/19/59/25/1017195925.db2.gz JSSJGGHJZWNRFU-LBPRGKRZSA-N 1 0 316.361 -0.107 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C1CCC1 ZINC001497025730 1017203494 /nfs/dbraw/zinc/20/34/94/1017203494.db2.gz RRSSNMWLTISMRT-CYBMUJFWSA-N 1 0 309.410 -0.371 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001497024222 1017204424 /nfs/dbraw/zinc/20/44/24/1017204424.db2.gz BYXYKKAYBFWTMC-JTQLQIEISA-N 1 0 305.338 -0.803 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001497033302 1017212348 /nfs/dbraw/zinc/21/23/48/1017212348.db2.gz QDXAYMUVNCAZMG-GFCCVEGCSA-N 1 0 306.366 -0.899 20 30 DBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001497033225 1017213397 /nfs/dbraw/zinc/21/33/97/1017213397.db2.gz JTYORCVBBXTFBD-NWDGAFQWSA-N 1 0 318.439 -0.300 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001497040625 1017216951 /nfs/dbraw/zinc/21/69/51/1017216951.db2.gz NHKKATRATXRKOM-CHWSQXEVSA-N 1 0 322.365 -0.929 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(OC)cc1 ZINC001497099448 1017267184 /nfs/dbraw/zinc/26/71/84/1017267184.db2.gz ROFDSIBMNGEWDE-HNNXBMFYSA-N 1 0 320.389 -0.046 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001497117395 1017281932 /nfs/dbraw/zinc/28/19/32/1017281932.db2.gz FMDBOLLMHRLASW-NSHDSACASA-N 1 0 302.334 -0.408 20 30 DBEDRO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC#Cc1ccccc1 ZINC001497120197 1017282046 /nfs/dbraw/zinc/28/20/46/1017282046.db2.gz ZDTGBQVLXOFQAD-ZFWWWQNUSA-N 1 0 317.389 -0.371 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497288604 1017332828 /nfs/dbraw/zinc/33/28/28/1017332828.db2.gz KOEOXDVDATXGTJ-VXGBXAGGSA-N 1 0 322.409 -0.865 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(C(=O)NC)CCC1 ZINC001497312587 1017338583 /nfs/dbraw/zinc/33/85/83/1017338583.db2.gz QJPVGHJKCNBPAJ-GFCCVEGCSA-N 1 0 322.409 -0.864 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H](C)NC(C)=O)C1=O ZINC001497353398 1017351549 /nfs/dbraw/zinc/35/15/49/1017351549.db2.gz VPUCIOJWEZCDAU-JSGCOSHPSA-N 1 0 324.425 -0.264 20 30 DBEDRO CCN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)[C@@H](C)C#N ZINC001497362758 1017353428 /nfs/dbraw/zinc/35/34/28/1017353428.db2.gz UBRZNTIZVQUDSF-STQMWFEESA-N 1 0 310.398 -0.263 20 30 DBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)c1c[nH]nc1S(N)(=O)=O ZINC001497453306 1017386228 /nfs/dbraw/zinc/38/62/28/1017386228.db2.gz XOCTTWOWUIGDKS-UHFFFAOYSA-N 1 0 315.399 -0.315 20 30 DBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ccc(OC)nn1 ZINC001497477445 1017390148 /nfs/dbraw/zinc/39/01/48/1017390148.db2.gz GWLZAMRHDSTWOM-UHFFFAOYSA-N 1 0 320.353 -0.823 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)c1cnon1 ZINC001497468906 1017392033 /nfs/dbraw/zinc/39/20/33/1017392033.db2.gz ULVHLKXIZOBSDW-UHFFFAOYSA-N 1 0 324.341 -0.867 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cc1cncn1C ZINC001497483962 1017393491 /nfs/dbraw/zinc/39/34/91/1017393491.db2.gz FGKNNBLXGRCYLO-UHFFFAOYSA-N 1 0 305.382 -0.850 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccc(C)n1C ZINC001497521848 1017403634 /nfs/dbraw/zinc/40/36/34/1017403634.db2.gz DGLFCWZLQLGAEQ-AATRIKPKSA-N 1 0 302.378 -0.041 20 30 DBEDRO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001497548531 1017416376 /nfs/dbraw/zinc/41/63/76/1017416376.db2.gz KFMYSERRASZENK-ZWNMCFTASA-N 1 0 321.381 -0.262 20 30 DBEDRO C[C@H](C#N)C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001497549635 1017416686 /nfs/dbraw/zinc/41/66/86/1017416686.db2.gz SQBADMKWJHCSRN-XCUNLHGCSA-N 1 0 308.382 -0.297 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)c1cc[nH]c(=O)c1 ZINC001497555981 1017421084 /nfs/dbraw/zinc/42/10/84/1017421084.db2.gz DNRZSRJASSHHLK-RXNFCKPNSA-N 1 0 316.361 -0.199 20 30 DBEDRO COc1cc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)on1 ZINC001497564282 1017423108 /nfs/dbraw/zinc/42/31/08/1017423108.db2.gz XMHWNFNUKMGPHZ-IHWYPQMZSA-N 1 0 307.310 -0.801 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)c2cn(C)nn2)C1=O ZINC001497575256 1017428329 /nfs/dbraw/zinc/42/83/29/1017428329.db2.gz HMMCAACUXZRGFJ-RXNFCKPNSA-N 1 0 318.381 -0.522 20 30 DBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cn2c(n1)CCC2 ZINC001497586132 1017432670 /nfs/dbraw/zinc/43/26/70/1017432670.db2.gz SHFXFACWEAXMMU-OWOJBTEDSA-N 1 0 316.365 -0.655 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1cnccc1C ZINC001497599981 1017437110 /nfs/dbraw/zinc/43/71/10/1017437110.db2.gz IPMAWLPWNTVCEY-SNAWJCMRSA-N 1 0 314.389 -0.056 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1cnccc1C ZINC001497599980 1017438711 /nfs/dbraw/zinc/43/87/11/1017438711.db2.gz IPMAWLPWNTVCEY-PLNGDYQASA-N 1 0 314.389 -0.056 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1c[nH]nc1CC ZINC001497621572 1017446694 /nfs/dbraw/zinc/44/66/94/1017446694.db2.gz QIYPTXPAXPIGKX-WAYWQWQTSA-N 1 0 303.366 -0.403 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cc(Cl)n(C)n1 ZINC001497629043 1017449017 /nfs/dbraw/zinc/44/90/17/1017449017.db2.gz QKCDQHGJGJUDOL-PLNGDYQASA-N 1 0 323.784 -0.302 20 30 DBEDRO CC#CC[NH2+]C/C=C/CNC(=O)c1ccc(=O)n(CCOC)n1 ZINC001497627371 1017451332 /nfs/dbraw/zinc/45/13/32/1017451332.db2.gz GEQBLUGVPJHISA-AATRIKPKSA-N 1 0 318.377 -0.211 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC=CCNC(=O)c1[nH]c(C)nc1C ZINC001497679982 1017467654 /nfs/dbraw/zinc/46/76/54/1017467654.db2.gz JUJHWQTVULUQDY-AATRIKPKSA-N 1 0 303.366 -0.348 20 30 DBEDRO C=CCCC[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001497693258 1017469965 /nfs/dbraw/zinc/46/99/65/1017469965.db2.gz VNZYFBCOFAIXCT-FPLPWBNLSA-N 1 0 320.393 -0.074 20 30 DBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)c1nc2ncccn2n1 ZINC001497704700 1017473929 /nfs/dbraw/zinc/47/39/29/1017473929.db2.gz ATBAVYNVJWJOHQ-IHWYPQMZSA-N 1 0 314.349 -0.350 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cc1nonc1C ZINC001497714285 1017477814 /nfs/dbraw/zinc/47/78/14/1017477814.db2.gz YGMCTAINHMQCAO-BTDICHCPSA-N 1 0 319.365 -0.680 20 30 DBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)nc1 ZINC001497729258 1017478887 /nfs/dbraw/zinc/47/88/87/1017478887.db2.gz WHWGRYSMZKIIHB-ARJAWSKDSA-N 1 0 311.345 -0.422 20 30 DBEDRO C#CCC[NH2+]C/C=C\CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001497734635 1017482052 /nfs/dbraw/zinc/48/20/52/1017482052.db2.gz PHAUUJXXUIMUPX-GEXIGZQTSA-N 1 0 313.423 -0.256 20 30 DBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)c1ccc(=O)n(C)n1 ZINC001497747460 1017485978 /nfs/dbraw/zinc/48/59/78/1017485978.db2.gz KWEICMLNOANSBX-ONEGZZNKSA-N 1 0 304.350 -0.694 20 30 DBEDRO C=CC[NH2+]C/C=C/CNC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001497766798 1017493151 /nfs/dbraw/zinc/49/31/51/1017493151.db2.gz WVLSHFYJBJKSNI-AATRIKPKSA-N 1 0 306.370 -0.572 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001497786561 1017494703 /nfs/dbraw/zinc/49/47/03/1017494703.db2.gz KFTMQUDXJNXUCY-NXEZZACHSA-N 1 0 307.354 -0.419 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCCC ZINC001497830073 1017516553 /nfs/dbraw/zinc/51/65/53/1017516553.db2.gz MQHIDQLNMXOLIW-KGLIPLIRSA-N 1 0 308.426 -0.296 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc2n(n1)CCCC2 ZINC001497834911 1017520826 /nfs/dbraw/zinc/52/08/26/1017520826.db2.gz VFWFYSFMKBZZMS-GFCCVEGCSA-N 1 0 317.393 -0.323 20 30 DBEDRO CCOc1nc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)co1 ZINC001497845189 1017527755 /nfs/dbraw/zinc/52/77/55/1017527755.db2.gz JXGSZRWJYWHITL-SECBINFHSA-N 1 0 309.326 -0.579 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1conc1C ZINC001497895723 1017541741 /nfs/dbraw/zinc/54/17/41/1017541741.db2.gz BNLCBMIKFSZZAK-SECBINFHSA-N 1 0 323.353 -0.297 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(C)[nH]c1=O ZINC001497919188 1017545861 /nfs/dbraw/zinc/54/58/61/1017545861.db2.gz HOKYTNYRXFHEAX-LLVKDONJSA-N 1 0 304.350 -0.447 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)nn1 ZINC001497934084 1017549324 /nfs/dbraw/zinc/54/93/24/1017549324.db2.gz PSSWCUMPUCNBKR-GHMZBOCLSA-N 1 0 308.386 -0.351 20 30 DBEDRO Cc1cnn(CCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)c1 ZINC001497992953 1017566852 /nfs/dbraw/zinc/56/68/52/1017566852.db2.gz KKBBVOQPJHLFOY-GFCCVEGCSA-N 1 0 306.370 -0.684 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001498035506 1017588468 /nfs/dbraw/zinc/58/84/68/1017588468.db2.gz BNCYJHYUQUMWCG-NHYWBVRUSA-N 1 0 311.382 -0.443 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1ccncn1 ZINC001498046890 1017592938 /nfs/dbraw/zinc/59/29/38/1017592938.db2.gz OSODJNGWGOCEIU-LBPRGKRZSA-N 1 0 303.366 -0.747 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001498057422 1017597115 /nfs/dbraw/zinc/59/71/15/1017597115.db2.gz RNNXMIRCFJZEAT-QJPTWQEYSA-N 1 0 310.398 -0.560 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ncc(F)cc1F ZINC001498059992 1017600267 /nfs/dbraw/zinc/60/02/67/1017600267.db2.gz JOLZUBOOBMJHGF-QMMMGPOBSA-N 1 0 311.292 -0.293 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001498082336 1017608287 /nfs/dbraw/zinc/60/82/87/1017608287.db2.gz NMNJJXWWQLRQDX-RYUDHWBXSA-N 1 0 324.425 -0.619 20 30 DBEDRO C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]CCS(C)(=O)=O)c1 ZINC001498107805 1017622560 /nfs/dbraw/zinc/62/25/60/1017622560.db2.gz BAUFZDUPJVGZDR-NSHDSACASA-N 1 0 309.391 -0.185 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001498110726 1017624483 /nfs/dbraw/zinc/62/44/83/1017624483.db2.gz XDEHUOHQGPIEBG-WDEREUQCSA-N 1 0 321.381 -0.380 20 30 DBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1ccc(C)cc1=O ZINC001498125254 1017632663 /nfs/dbraw/zinc/63/26/63/1017632663.db2.gz FKZVSYKTHVZNKQ-AWEZNQCLSA-N 1 0 305.378 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1024899361 /nfs/dbraw/zinc/89/93/61/1024899361.db2.gz DIBKKPXUBLAMDU-CYBMUJFWSA-N 1 0 317.455 -0.075 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)c1ncn(C)n1)C(C)C ZINC001568449915 1024899559 /nfs/dbraw/zinc/89/95/59/1024899559.db2.gz XBRNABRBIFOWPD-NWDGAFQWSA-N 1 0 320.397 -0.703 20 30 DBEDRO CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]CCN1C(=O)CNC1=O ZINC001568446219 1024899585 /nfs/dbraw/zinc/89/95/85/1024899585.db2.gz SCYJFCGEADPXTJ-MNOVXSKESA-N 1 0 309.370 -0.572 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1COC(=O)C1)C(C)C ZINC001568446729 1024899668 /nfs/dbraw/zinc/89/96/68/1024899668.db2.gz BIXYZLDFMVHYHE-QWHCGFSZSA-N 1 0 323.393 -0.581 20 30 DBEDRO CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]CCN1C(=O)CNC1=O ZINC001568446218 1024900596 /nfs/dbraw/zinc/90/05/96/1024900596.db2.gz SCYJFCGEADPXTJ-GHMZBOCLSA-N 1 0 309.370 -0.572 20 30 DBEDRO CC(C)[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]CC(=O)NCC#N ZINC001568461770 1024902892 /nfs/dbraw/zinc/90/28/92/1024902892.db2.gz DFODAGIOHUTKTQ-NHYWBVRUSA-N 1 0 323.397 -0.975 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(=O)n1C)C(C)C ZINC001568458692 1024903641 /nfs/dbraw/zinc/90/36/41/1024903641.db2.gz BPSBWEGQJIZBSZ-LLVKDONJSA-N 1 0 323.397 -0.228 20 30 DBEDRO CC(C)[C@@H](CNC(=O)c1cccnn1)[NH2+]CC(=O)NCC#N ZINC001568465892 1024907240 /nfs/dbraw/zinc/90/72/40/1024907240.db2.gz LVKFXDBGBMGFNA-GFCCVEGCSA-N 1 0 304.354 -0.540 20 30 DBEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568485775 1024912576 /nfs/dbraw/zinc/91/25/76/1024912576.db2.gz JMSYKMAWCPFXNO-HNNXBMFYSA-N 1 0 310.442 -0.288 20 30 DBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001568498803 1024915154 /nfs/dbraw/zinc/91/51/54/1024915154.db2.gz PXNVIQDQSRQQKJ-LBPRGKRZSA-N 1 0 303.428 -0.416 20 30 DBEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC)CC[C@@H]21 ZINC001568515269 1024920102 /nfs/dbraw/zinc/92/01/02/1024920102.db2.gz IWMCVHXRSCHUHA-NEPJUHHUSA-N 1 0 301.412 -0.356 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)c1nonc1C ZINC001568507155 1024921490 /nfs/dbraw/zinc/92/14/90/1024921490.db2.gz XMHWTGSIWJACGU-LLVKDONJSA-N 1 0 307.354 -0.480 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CN(C(C)=O)C1 ZINC001568524240 1024924545 /nfs/dbraw/zinc/92/45/45/1024924545.db2.gz QOLQJNQOWLHVKJ-GDBMZVCRSA-N 1 0 321.421 -0.011 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ncn(C)n1 ZINC001568522568 1024926638 /nfs/dbraw/zinc/92/66/38/1024926638.db2.gz DBGXMOXLDXFACK-NEPJUHHUSA-N 1 0 320.397 -0.395 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CN(C(C)=O)C1 ZINC001568524241 1024926697 /nfs/dbraw/zinc/92/66/97/1024926697.db2.gz QOLQJNQOWLHVKJ-GOEBONIOSA-N 1 0 321.421 -0.011 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC001568538572 1024927210 /nfs/dbraw/zinc/92/72/10/1024927210.db2.gz ZTTDJZBHDSFZAK-AAEUAGOBSA-N 1 0 318.381 -0.534 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC001568538575 1024927698 /nfs/dbraw/zinc/92/76/98/1024927698.db2.gz ZTTDJZBHDSFZAK-YPMHNXCESA-N 1 0 318.381 -0.534 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001568549486 1024932870 /nfs/dbraw/zinc/93/28/70/1024932870.db2.gz OKRCFGCXBKAQHN-JQWIXIFHSA-N 1 0 308.338 -0.858 20 30 DBEDRO NC(=O)CC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1Cl ZINC001568552880 1024935305 /nfs/dbraw/zinc/93/53/05/1024935305.db2.gz QWRXYQIHXRZPLM-LBPRGKRZSA-N 1 0 323.780 -0.366 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001568555676 1024937868 /nfs/dbraw/zinc/93/78/68/1024937868.db2.gz HRQNDGZBUMEPRU-DGCLKSJQSA-N 1 0 307.350 -0.973 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(C)o1 ZINC001568555739 1024938309 /nfs/dbraw/zinc/93/83/09/1024938309.db2.gz IYVAIKWKQDLRKR-CHWSQXEVSA-N 1 0 321.377 -0.665 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001568559775 1024939587 /nfs/dbraw/zinc/93/95/87/1024939587.db2.gz MRLUKDZDIBLNHE-OLZOCXBDSA-N 1 0 320.393 -0.454 20 30 DBEDRO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001568559661 1024939682 /nfs/dbraw/zinc/93/96/82/1024939682.db2.gz KERKCDDHLVWIGL-JSGCOSHPSA-N 1 0 309.410 -0.278 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001568559861 1024939963 /nfs/dbraw/zinc/93/99/63/1024939963.db2.gz ODARDRQACOGDIE-OWCLPIDISA-N 1 0 317.389 -0.098 20 30 DBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001568563121 1024942857 /nfs/dbraw/zinc/94/28/57/1024942857.db2.gz HEGVJPSKFBAISA-VXGBXAGGSA-N 1 0 304.412 -0.404 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001568564411 1024943802 /nfs/dbraw/zinc/94/38/02/1024943802.db2.gz WLYLAEDENOSZHD-LLVKDONJSA-N 1 0 305.334 -0.116 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001568570397 1024945637 /nfs/dbraw/zinc/94/56/37/1024945637.db2.gz LIRZFPLCIAGUEG-NSHDSACASA-N 1 0 305.338 -0.059 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001568567491 1024946057 /nfs/dbraw/zinc/94/60/57/1024946057.db2.gz MNRSHRLTZDYVBI-NEPJUHHUSA-N 1 0 308.382 -0.289 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(C(N)=O)cc1 ZINC001568570392 1024946809 /nfs/dbraw/zinc/94/68/09/1024946809.db2.gz DZBSUKORXFZLEA-AWEZNQCLSA-N 1 0 303.362 -0.582 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cncc(C)c1 ZINC001568573965 1024947681 /nfs/dbraw/zinc/94/76/81/1024947681.db2.gz XXMSWLKYLRGDLE-OAHLLOKOSA-N 1 0 305.378 -0.351 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001568571539 1024948554 /nfs/dbraw/zinc/94/85/54/1024948554.db2.gz YYGGMIANMAMXJQ-APIJFGDWSA-N 1 0 321.421 -0.371 20 30 DBEDRO CC1(C)CC(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1 ZINC001568576484 1024949826 /nfs/dbraw/zinc/94/98/26/1024949826.db2.gz IDTOXBBPXRYGPR-LBPRGKRZSA-N 1 0 310.398 -0.481 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001568576701 1024950664 /nfs/dbraw/zinc/95/06/64/1024950664.db2.gz LPRNQGDMMBLIQF-RYUDHWBXSA-N 1 0 307.398 -0.437 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001568579621 1024951594 /nfs/dbraw/zinc/95/15/94/1024951594.db2.gz FNXXVEPPBSZHCB-GFCCVEGCSA-N 1 0 323.397 -0.637 20 30 DBEDRO C=C1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001568577628 1024953454 /nfs/dbraw/zinc/95/34/54/1024953454.db2.gz CRHGUMKTSPARLG-ZDUSSCGKSA-N 1 0 308.382 -0.561 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2cccnn21 ZINC001568583302 1024953960 /nfs/dbraw/zinc/95/39/60/1024953960.db2.gz RZTUGSLSAHKBLI-AWEZNQCLSA-N 1 0 316.361 -0.336 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001568581092 1024954301 /nfs/dbraw/zinc/95/43/01/1024954301.db2.gz LBDOVTJYQKUSJG-KGLIPLIRSA-N 1 0 308.382 -0.449 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1CC ZINC001568580705 1024955682 /nfs/dbraw/zinc/95/56/82/1024955682.db2.gz YXRGQEFLIAFUHX-MJBXVCDLSA-N 1 0 323.397 -0.544 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1noc2c1CCCC2 ZINC001568581533 1024955777 /nfs/dbraw/zinc/95/57/77/1024955777.db2.gz VALWIHBHZKXLIO-GFCCVEGCSA-N 1 0 321.377 -0.117 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cccc(-n2cncn2)n1 ZINC001568586714 1024956823 /nfs/dbraw/zinc/95/68/23/1024956823.db2.gz RVSXYVQMFVYEFN-LBPRGKRZSA-N 1 0 314.349 -0.634 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nccn2cc(C)nc12 ZINC001568588270 1024958932 /nfs/dbraw/zinc/95/89/32/1024958932.db2.gz XPBLCHVUKRWFRL-LBPRGKRZSA-N 1 0 301.350 -0.259 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2nccn2C)cn1 ZINC001568587962 1024959037 /nfs/dbraw/zinc/95/90/37/1024959037.db2.gz RSHYSOCHCQGGOX-CQSZACIVSA-N 1 0 313.361 -0.323 20 30 DBEDRO Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)cc1C ZINC001568591048 1024959237 /nfs/dbraw/zinc/95/92/37/1024959237.db2.gz CAKVRZVIBMTJHK-AWEZNQCLSA-N 1 0 318.377 -0.376 20 30 DBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1nc2nccc(C)n2n1 ZINC001568592087 1024960251 /nfs/dbraw/zinc/96/02/51/1024960251.db2.gz ZKRALTBEANFXJE-NSHDSACASA-N 1 0 304.354 -0.311 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001568591687 1024961324 /nfs/dbraw/zinc/96/13/24/1024961324.db2.gz QVSQZVQIWFREHR-ZFWWWQNUSA-N 1 0 317.389 -0.105 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001568593378 1024961683 /nfs/dbraw/zinc/96/16/83/1024961683.db2.gz RWTRODNLFPRDTI-QWHCGFSZSA-N 1 0 307.398 -0.208 20 30 DBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001568593742 1024961690 /nfs/dbraw/zinc/96/16/90/1024961690.db2.gz WQLFLNUJIVFMBP-CHWSQXEVSA-N 1 0 307.398 -0.127 20 30 DBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001568593276 1024961945 /nfs/dbraw/zinc/96/19/45/1024961945.db2.gz RCMCIBZOIWRBFD-CHWSQXEVSA-N 1 0 307.398 -0.127 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1cccc2nsnc21 ZINC001568595780 1024963051 /nfs/dbraw/zinc/96/30/51/1024963051.db2.gz PVMADYGRYORYCG-NSHDSACASA-N 1 0 304.375 -0.066 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001568612062 1024964769 /nfs/dbraw/zinc/96/47/69/1024964769.db2.gz JUGXDQAJAGNCGH-QWRGUYRKSA-N 1 0 305.382 -0.046 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001568628430 1024970009 /nfs/dbraw/zinc/97/00/09/1024970009.db2.gz AOMTZTRKAMILRU-MNOVXSKESA-N 1 0 321.381 -0.457 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1nccc(C)n1 ZINC001568626332 1024971483 /nfs/dbraw/zinc/97/14/83/1024971483.db2.gz ICVOFPYEIPLZEK-LBPRGKRZSA-N 1 0 303.366 -0.368 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001568628432 1024971562 /nfs/dbraw/zinc/97/15/62/1024971562.db2.gz AOMTZTRKAMILRU-WDEREUQCSA-N 1 0 321.381 -0.457 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1ccc(F)cn1 ZINC001568649738 1024978042 /nfs/dbraw/zinc/97/80/42/1024978042.db2.gz PAYMRAQYSONREJ-LBPRGKRZSA-N 1 0 320.368 -0.003 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1c(C)nn(C)c1C ZINC001568661122 1024981080 /nfs/dbraw/zinc/98/10/80/1024981080.db2.gz BAGJPINGUQYZSL-NSHDSACASA-N 1 0 319.409 -0.116 20 30 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382418087 /nfs/dbraw/zinc/41/80/87/382418087.db2.gz UQLHPXDDANMOTC-CYBMUJFWSA-N 1 0 316.361 -0.012 20 30 DBEDRO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1F ZINC000600070157 382418152 /nfs/dbraw/zinc/41/81/52/382418152.db2.gz FLHAOQBMZSZHGJ-GFCCVEGCSA-N 1 0 320.324 -0.181 20 30 DBEDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672732 382419789 /nfs/dbraw/zinc/41/97/89/382419789.db2.gz XRYBYXODMJSFKK-OLZOCXBDSA-N 1 0 300.428 -0.155 20 30 DBEDRO N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000619709626 382421112 /nfs/dbraw/zinc/42/11/12/382421112.db2.gz SFEKBJLAAMOGHB-STQMWFEESA-N 1 0 314.411 -0.471 20 30 DBEDRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000419458149 382501926 /nfs/dbraw/zinc/50/19/26/382501926.db2.gz BEJZVMNAMSVNAZ-FZMZJTMJSA-N 1 0 316.361 -0.141 20 30 DBEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH3+] ZINC000419832482 382503524 /nfs/dbraw/zinc/50/35/24/382503524.db2.gz JRNDUONHELLBDC-UHFFFAOYSA-N 1 0 318.377 -0.002 20 30 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C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC000648773400 391969994 /nfs/dbraw/zinc/96/99/94/391969994.db2.gz HPJUZJGCKJLQLR-GFCCVEGCSA-N 1 0 301.412 -0.213 20 30 DBEDRO N#CCNC(=O)CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000553309602 392080345 /nfs/dbraw/zinc/08/03/45/392080345.db2.gz UNKIEKSRRRXMQQ-INIZCTEOSA-N 1 0 316.361 -0.621 20 30 DBEDRO N#Cc1ccc(OCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419461791 392139732 /nfs/dbraw/zinc/13/97/32/392139732.db2.gz IJTOITHYQCMISP-ZDUSSCGKSA-N 1 0 316.361 -0.079 20 30 DBEDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287312748 131274716 /nfs/dbraw/zinc/27/47/16/131274716.db2.gz WXXJIRZHZIGCMS-UHFFFAOYSA-N 1 0 301.350 -0.201 20 30 DBEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](C)C1 ZINC000287821016 131302314 /nfs/dbraw/zinc/30/23/14/131302314.db2.gz JZZVZAJUJHRGSF-NEPJUHHUSA-N 1 0 321.385 -0.754 20 30 DBEDRO C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)N1CC[NH+](C)CC1 ZINC000289504338 131391235 /nfs/dbraw/zinc/39/12/35/131391235.db2.gz 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ZINC000491156346 392657768 /nfs/dbraw/zinc/65/77/68/392657768.db2.gz ZKUHHQBVYPDYDP-UHFFFAOYSA-N 1 0 307.394 -0.303 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000644225764 392696652 /nfs/dbraw/zinc/69/66/52/392696652.db2.gz ZVQZLOVUHLJJEZ-VOAKCMCISA-N 1 0 311.382 -0.732 20 30 DBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)C ZINC000491657420 392789873 /nfs/dbraw/zinc/78/98/73/392789873.db2.gz IVDCNNDHEVZJFA-GFCCVEGCSA-N 1 0 303.428 -0.369 20 30 DBEDRO C[NH+]=C(NCCNS(C)(=O)=O)NCc1c(C)noc1C ZINC000179010275 392792134 /nfs/dbraw/zinc/79/21/34/392792134.db2.gz PBXBNUSHGFGOBN-UHFFFAOYSA-N 1 0 303.388 -0.494 20 30 DBEDRO C[C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000291044385 392827276 /nfs/dbraw/zinc/82/72/76/392827276.db2.gz ZHVWVIBMRAALGK-NSHDSACASA-N 1 0 324.406 -0.097 20 30 DBEDRO CC[C@H]1C[N@H+](CC)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000408457481 392893415 /nfs/dbraw/zinc/89/34/15/392893415.db2.gz OXCUDYGFXDHYFI-NSHDSACASA-N 1 0 305.382 -0.124 20 30 DBEDRO C[NH+]=C(NC[C@H]1CCCO1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261736784 392899369 /nfs/dbraw/zinc/89/93/69/392899369.db2.gz MDKDHUXYSIUVCE-CYBMUJFWSA-N 1 0 320.397 -0.177 20 30 DBEDRO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000337174259 392848091 /nfs/dbraw/zinc/84/80/91/392848091.db2.gz HUVPTDNJRCXYAM-OLZOCXBDSA-N 1 0 318.443 -0.289 20 30 DBEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)C1=O ZINC000338359250 392857249 /nfs/dbraw/zinc/85/72/49/392857249.db2.gz ZZJNHXGYRKRLJY-CHWSQXEVSA-N 1 0 315.439 -0.013 20 30 DBEDRO CC#CC[C@H](CO)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000645326087 392964472 /nfs/dbraw/zinc/96/44/72/392964472.db2.gz IHGDHHWOFCLZJC-HUUCEWRRSA-N 1 0 310.442 -0.057 20 30 DBEDRO NC(=[NH2+])NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000161502769 393009156 /nfs/dbraw/zinc/00/91/56/393009156.db2.gz WTBRIHOSDZBMFS-UHFFFAOYSA-N 1 0 312.395 -0.378 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000346663971 393086160 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C#CCN(C(=O)c1nnn(C)n1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001324412772 806972184 /nfs/dbraw/zinc/97/21/84/806972184.db2.gz FTGDAWUINCXPHZ-LBPRGKRZSA-N 1 0 320.397 -0.215 20 30 DBEDRO C#CCN(C(=O)[C@@]1(F)CCOC1)C1CCN(CC(N)=O)CC1 ZINC001324413990 806972259 /nfs/dbraw/zinc/97/22/59/806972259.db2.gz RCCSRIFOFGSPIR-OAHLLOKOSA-N 1 0 311.357 -0.474 20 30 DBEDRO C#CCN(C(=O)Cn1nc(C)n(C)c1=O)C1CC[NH+](CC)CC1 ZINC001324440014 806974436 /nfs/dbraw/zinc/97/44/36/806974436.db2.gz PNHIYAVKWKBLQI-UHFFFAOYSA-N 1 0 319.409 -0.164 20 30 DBEDRO C#CCN(C(=O)CS(=O)(=O)NC)C1CC[NH+](C(C)C)CC1 ZINC001324442083 806975181 /nfs/dbraw/zinc/97/51/81/806975181.db2.gz WEYJWHHJHHAAQR-UHFFFAOYSA-N 1 0 315.439 -0.130 20 30 DBEDRO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(CC(=O)NCC#N)C2)CC1 ZINC001324646848 806996380 /nfs/dbraw/zinc/99/63/80/806996380.db2.gz JHIJWMZWLSNDHV-INIZCTEOSA-N 1 0 321.425 -0.451 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)c2ncn(C)n2)C1 ZINC001324723228 807002110 /nfs/dbraw/zinc/00/21/10/807002110.db2.gz QVJBWTZGPPQRSD-HNNXBMFYSA-N 1 0 320.397 -0.441 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741880 807003487 /nfs/dbraw/zinc/00/34/87/807003487.db2.gz OKFRDIAWDDKMBF-BBRMVZONSA-N 1 0 306.410 -0.603 20 30 DBEDRO COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001324741938 807003608 /nfs/dbraw/zinc/00/36/08/807003608.db2.gz OQXNKAOBGUWMDG-YOEHRIQHSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741884 807003695 /nfs/dbraw/zinc/00/36/95/807003695.db2.gz OKFRDIAWDDKMBF-XJKSGUPXSA-N 1 0 306.410 -0.603 20 30 DBEDRO COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001324742087 807003744 /nfs/dbraw/zinc/00/37/44/807003744.db2.gz QKCKHUWAFUFDST-PBHICJAKSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CCCN1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035484064 814953717 /nfs/dbraw/zinc/95/37/17/814953717.db2.gz WSCWGZGGTQKJNS-HOTGVXAUSA-N 1 0 323.437 -0.064 20 30 DBEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN(CC#N)CCO2)C1 ZINC001035484327 814954077 /nfs/dbraw/zinc/95/40/77/814954077.db2.gz ZPGDPOKBQYYTBO-UONOGXRCSA-N 1 0 310.398 -0.564 20 30 DBEDRO CCc1cc(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001278034213 803744943 /nfs/dbraw/zinc/74/49/43/803744943.db2.gz LNFXIYYGSXQETB-LLVKDONJSA-N 1 0 320.397 -0.328 20 30 DBEDRO C#CCNC(=O)CN1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001278039445 803745075 /nfs/dbraw/zinc/74/50/75/803745075.db2.gz PSWHNNHIPZDLED-CQSZACIVSA-N 1 0 320.437 -0.199 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1ccc(C)nc1 ZINC001278047776 803747201 /nfs/dbraw/zinc/74/72/01/803747201.db2.gz HXTGWQCVCKPFOL-JSGCOSHPSA-N 1 0 320.393 -0.239 20 30 DBEDRO CCC(=O)NCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278053231 803748084 /nfs/dbraw/zinc/74/80/84/803748084.db2.gz DLQCLCZPBBXTAQ-HNNXBMFYSA-N 1 0 317.389 -0.369 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ncccc1C ZINC001278059662 803749253 /nfs/dbraw/zinc/74/92/53/803749253.db2.gz AQJMKWICXYZBQK-CHWSQXEVSA-N 1 0 320.393 -0.239 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1[nH]ccc1C ZINC001278072380 803750106 /nfs/dbraw/zinc/75/01/06/803750106.db2.gz SXDBXLLMAPQNNR-NEPJUHHUSA-N 1 0 308.382 -0.306 20 30 DBEDRO COCC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001278064893 803750604 /nfs/dbraw/zinc/75/06/04/803750604.db2.gz YBQICOWLCMBPKE-ZDUSSCGKSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1[nH]ccc1C ZINC001278072384 803750703 /nfs/dbraw/zinc/75/07/03/803750703.db2.gz SXDBXLLMAPQNNR-RYUDHWBXSA-N 1 0 308.382 -0.306 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2[nH]ccc2C)C1=O ZINC001278073153 803751192 /nfs/dbraw/zinc/75/11/92/803751192.db2.gz ZHAXPGOHEXHUKB-STQMWFEESA-N 1 0 320.393 -0.210 20 30 DBEDRO C[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC1CC1)C(=O)NC(C)(C)C ZINC001278077070 803751412 /nfs/dbraw/zinc/75/14/12/803751412.db2.gz FNDLCXJGBMBPJH-WCQYABFASA-N 1 0 309.410 -0.230 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001278078614 803751688 /nfs/dbraw/zinc/75/16/88/803751688.db2.gz XUQFNMITXIQUEF-ZIAGYGMSSA-N 1 0 305.378 -0.747 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CNC(=O)c1ccoc1C ZINC001278086116 803752516 /nfs/dbraw/zinc/75/25/16/803752516.db2.gz UGVLCCKGDZMSDH-LBPRGKRZSA-N 1 0 307.350 -0.592 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc2n[nH]nc21 ZINC001278084865 803752641 /nfs/dbraw/zinc/75/26/41/803752641.db2.gz HCZJYKRGSMMGQN-LLVKDONJSA-N 1 0 317.349 -0.712 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CN(C)C(=O)c1cccs1 ZINC001278094237 803753078 /nfs/dbraw/zinc/75/30/78/803753078.db2.gz URFRYGQTQAMSET-GFCCVEGCSA-N 1 0 323.418 -0.090 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1c(C)[nH]nc1Cl ZINC001278093352 803753537 /nfs/dbraw/zinc/75/35/37/803753537.db2.gz IRBGASSLGOTNHK-JTQLQIEISA-N 1 0 314.773 -0.298 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001278099322 803754196 /nfs/dbraw/zinc/75/41/96/803754196.db2.gz IUNGDEIDWWMDOO-STQMWFEESA-N 1 0 320.393 -0.452 20 30 DBEDRO COCC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C(N)=O)C2)CC1 ZINC001278101945 803754965 /nfs/dbraw/zinc/75/49/65/803754965.db2.gz LSAJFHDWPFLXNM-CYBMUJFWSA-N 1 0 323.393 -0.891 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc2cc(OC)ccn21 ZINC001278111701 803755954 /nfs/dbraw/zinc/75/59/54/803755954.db2.gz DCPHYFIJYBYQSX-NSHDSACASA-N 1 0 302.334 -0.344 20 30 DBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001278120367 803756866 /nfs/dbraw/zinc/75/68/66/803756866.db2.gz TUSWNLVTQKOTJB-AAEUAGOBSA-N 1 0 321.381 -0.602 20 30 DBEDRO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H](CO)NCC#N ZINC001278119501 803756947 /nfs/dbraw/zinc/75/69/47/803756947.db2.gz KXFFBGJLYGMGJJ-AWEZNQCLSA-N 1 0 304.394 -0.005 20 30 DBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001278120737 803757555 /nfs/dbraw/zinc/75/75/55/803757555.db2.gz XDAFPSKEUZEPQL-AAEUAGOBSA-N 1 0 321.381 -0.602 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC001278130375 803758247 /nfs/dbraw/zinc/75/82/47/803758247.db2.gz VKZITTBXSWABBL-LSDHHAIUSA-N 1 0 315.373 -0.373 20 30 DBEDRO C#CCN(C(=O)CCC(=O)NCC)C1CC[NH+](CCO)CC1 ZINC001278128209 803758509 /nfs/dbraw/zinc/75/85/09/803758509.db2.gz JSVNVYLGYGPORM-UHFFFAOYSA-N 1 0 309.410 -0.179 20 30 DBEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]Cc2cnn(C)c2)c1 ZINC001278148580 803760930 /nfs/dbraw/zinc/76/09/30/803760930.db2.gz YBUNEXWZBTZBOR-HNNXBMFYSA-N 1 0 313.361 -0.323 20 30 DBEDRO C#CCN(C(=O)Cn1ncnn1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001278151135 803761221 /nfs/dbraw/zinc/76/12/21/803761221.db2.gz JQNLJRUHKUHUIA-CYBMUJFWSA-N 1 0 320.397 -0.366 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccnc(C)c1 ZINC001278171363 803763793 /nfs/dbraw/zinc/76/37/93/803763793.db2.gz FSLABRIMZSDZME-CYBMUJFWSA-N 1 0 306.366 -0.627 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001278178955 803764118 /nfs/dbraw/zinc/76/41/18/803764118.db2.gz MHDNGBMEAMHNDW-NSHDSACASA-N 1 0 306.428 -0.158 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(F)CCCCC1 ZINC001278178624 803764652 /nfs/dbraw/zinc/76/46/52/803764652.db2.gz JWQAMVGUUIXDCR-LLVKDONJSA-N 1 0 314.361 -0.635 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001278195912 803766123 /nfs/dbraw/zinc/76/61/23/803766123.db2.gz VKEGBHQJVBJUJF-ZDUSSCGKSA-N 1 0 316.365 -0.081 20 30 DBEDRO C#CCN(C(=O)C(=O)NCC1CC1)C1CC[NH+](CCO)CC1 ZINC001278194170 803766132 /nfs/dbraw/zinc/76/61/32/803766132.db2.gz ICNNYWHIZFQMEU-UHFFFAOYSA-N 1 0 307.394 -0.569 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C(=O)NC)c1 ZINC001278203116 803767601 /nfs/dbraw/zinc/76/76/01/803767601.db2.gz YTJRWIIXCCVUHZ-CQSZACIVSA-N 1 0 303.362 -0.250 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001278203017 803767669 /nfs/dbraw/zinc/76/76/69/803767669.db2.gz XRTXOSKQAMRRGY-AWEZNQCLSA-N 1 0 303.362 -0.582 20 30 DBEDRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)nn1C ZINC001278213736 803767852 /nfs/dbraw/zinc/76/78/52/803767852.db2.gz PTQWXWRNMPBBJP-LBPRGKRZSA-N 1 0 308.382 -0.687 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CC)[C@H]1C ZINC001278231963 803768317 /nfs/dbraw/zinc/76/83/17/803768317.db2.gz HLTVOGZXMQYGEK-NWDGAFQWSA-N 1 0 310.398 -0.606 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1OCCCO1 ZINC001278243729 803769500 /nfs/dbraw/zinc/76/95/00/803769500.db2.gz OPMWUIRGHJXYMK-NEPJUHHUSA-N 1 0 324.381 -0.642 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cncnc1 ZINC001278243918 803769636 /nfs/dbraw/zinc/76/96/36/803769636.db2.gz QCBNKCCZBMHWGB-PWSUYJOCSA-N 1 0 302.338 -0.691 20 30 DBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1OCCCO1 ZINC001278243730 803770059 /nfs/dbraw/zinc/77/00/59/803770059.db2.gz OPMWUIRGHJXYMK-NWDGAFQWSA-N 1 0 324.381 -0.642 20 30 DBEDRO C[C@@H](C#N)S(=O)(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278265920 803772655 /nfs/dbraw/zinc/77/26/55/803772655.db2.gz JBLJDCYZLHXTSO-AVGNSLFASA-N 1 0 316.427 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COCC#CC[NH2+][C@H](CO)CNC(=O)CCc1cnn(C)c1 ZINC001283831215 804586025 /nfs/dbraw/zinc/58/60/25/804586025.db2.gz JXBIEOSACJKXNV-AWEZNQCLSA-N 1 0 308.382 -0.931 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cnn(C)c1 ZINC001283831216 804586093 /nfs/dbraw/zinc/58/60/93/804586093.db2.gz JXBIEOSACJKXNV-CQSZACIVSA-N 1 0 308.382 -0.931 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001283830992 804586107 /nfs/dbraw/zinc/58/61/07/804586107.db2.gz IEAZWDOGRGLOED-NEXFUWMNSA-N 1 0 321.421 -0.371 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001283831875 804586269 /nfs/dbraw/zinc/58/62/69/804586269.db2.gz OHQYJPLPFJPXRX-AWEZNQCLSA-N 1 0 313.361 -0.029 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnsn2)[C@H]1C ZINC001283849176 804590606 /nfs/dbraw/zinc/59/06/06/804590606.db2.gz ZPNVDDMRZCRBRW-VHSXEESVSA-N 1 0 307.379 -0.520 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2C)[C@H]1C ZINC001283849194 804590678 /nfs/dbraw/zinc/59/06/78/804590678.db2.gz 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Cc1cnn(C)c1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001283905138 804604937 /nfs/dbraw/zinc/60/49/37/804604937.db2.gz JGHWGPMSNKTWRX-NEPJUHHUSA-N 1 0 318.381 -0.439 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cc1cscn1 ZINC001283914168 804605217 /nfs/dbraw/zinc/60/52/17/804605217.db2.gz WYLUGKXTQYHKNM-PWSUYJOCSA-N 1 0 321.406 -0.096 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CNC(=O)COC)C2CC2)CC1 ZINC001283920237 804606339 /nfs/dbraw/zinc/60/63/39/804606339.db2.gz RJJRUPMJQMVFEB-HNNXBMFYSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H]1C ZINC001283927086 804607861 /nfs/dbraw/zinc/60/78/61/804607861.db2.gz LDBCPYFEPQBDCT-QWHCGFSZSA-N 1 0 320.393 -0.079 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001283927084 804607875 /nfs/dbraw/zinc/60/78/75/804607875.db2.gz LDBCPYFEPQBDCT-OLZOCXBDSA-N 1 0 320.393 -0.079 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccncn1 ZINC001283925293 804608107 /nfs/dbraw/zinc/60/81/07/804608107.db2.gz SQOZZDIJRFUOGJ-GHMZBOCLSA-N 1 0 302.338 -0.691 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CCOCC2)C1 ZINC001283943449 804609640 /nfs/dbraw/zinc/60/96/40/804609640.db2.gz ARJJLLXLHPNBPU-GXTWGEPZSA-N 1 0 307.394 -0.259 20 30 DBEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001283938388 804609900 /nfs/dbraw/zinc/60/99/00/804609900.db2.gz HNKLWSJDGLBJEE-NWDGAFQWSA-N 1 0 320.397 -0.078 20 30 DBEDRO CCS(=O)(=O)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H]1C ZINC001283941437 804609934 /nfs/dbraw/zinc/60/99/34/804609934.db2.gz XZENIJJTPYCMEE-OLZOCXBDSA-N 1 0 316.423 -0.350 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnns2)C1 ZINC001283948512 804610657 /nfs/dbraw/zinc/61/06/57/804610657.db2.gz UPMRWRXJWJNAMP-ZJUUUORDSA-N 1 0 307.379 -0.520 20 30 DBEDRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@](F)(C#N)C1)C2=O ZINC000786108746 804611571 /nfs/dbraw/zinc/61/15/71/804611571.db2.gz SPKHTJAXIRABAD-CYBMUJFWSA-N 1 0 309.345 -0.102 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001283951332 804611950 /nfs/dbraw/zinc/61/19/50/804611950.db2.gz SFKMBVFEZRVKFR-TZMCWYRMSA-N 1 0 318.377 -0.185 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cccnc2)C1 ZINC001283971089 804615865 /nfs/dbraw/zinc/61/58/65/804615865.db2.gz UHXDTPNRFQPMFG-HIFRSBDPSA-N 1 0 314.389 -0.048 20 30 DBEDRO CCn1nncc1C(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001283981514 804617351 /nfs/dbraw/zinc/61/73/51/804617351.db2.gz FLAPGHSWGJZBFJ-MNOVXSKESA-N 1 0 319.369 -0.870 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc(C)o2)C1 ZINC001283987388 804617583 /nfs/dbraw/zinc/61/75/83/804617583.db2.gz YXUBBXWCYRYHSJ-YPMHNXCESA-N 1 0 318.377 -0.146 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnc(C)o2)C1 ZINC001283987386 804617741 /nfs/dbraw/zinc/61/77/41/804617741.db2.gz YXUBBXWCYRYHSJ-DGCLKSJQSA-N 1 0 318.377 -0.146 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccncn2)C1 ZINC001284012997 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20 30 DBEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H]1C ZINC001284131280 804643580 /nfs/dbraw/zinc/64/35/80/804643580.db2.gz PUAWXHXHKLTQDE-VXGBXAGGSA-N 1 0 318.443 -0.415 20 30 DBEDRO C#CCOCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001284175906 804651844 /nfs/dbraw/zinc/65/18/44/804651844.db2.gz WBLYCDJNQXPLKH-KGLIPLIRSA-N 1 0 309.410 -0.011 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001284181568 804652759 /nfs/dbraw/zinc/65/27/59/804652759.db2.gz XGSBPZBWLFXLLM-STQMWFEESA-N 1 0 315.439 -0.177 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001284191431 804653853 /nfs/dbraw/zinc/65/38/53/804653853.db2.gz AKKIXKBVEWSRKD-UONOGXRCSA-N 1 0 306.410 -0.684 20 30 DBEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001284193430 804655116 /nfs/dbraw/zinc/65/51/16/804655116.db2.gz UXKDURVGKPQYCS-STQMWFEESA-N 1 0 310.398 -0.701 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001284221313 804660973 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C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001175880915 833397631 /nfs/dbraw/zinc/39/76/31/833397631.db2.gz HCHDZFUSWKYFJY-CYBMUJFWSA-N 1 0 319.409 -0.034 20 30 DBEDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001120427442 829369050 /nfs/dbraw/zinc/36/90/50/829369050.db2.gz CCBCHYLLZNDNGQ-LBPRGKRZSA-N 1 0 307.398 -0.795 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001120432040 829371062 /nfs/dbraw/zinc/37/10/62/829371062.db2.gz CQGVUCSBMFQWNN-JSGCOSHPSA-N 1 0 324.425 -0.767 20 30 DBEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC001120450138 829376142 /nfs/dbraw/zinc/37/61/42/829376142.db2.gz NVRNJLQVVWIYKZ-BBRMVZONSA-N 1 0 322.409 -0.072 20 30 DBEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001120447729 829376478 /nfs/dbraw/zinc/37/64/78/829376478.db2.gz RLLVHCHBJKSUAM-OAHLLOKOSA-N 1 0 310.398 -0.072 20 30 DBEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1nc(C#N)cs1 ZINC001120448123 829376493 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N#Cc1cncc(N[C@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001121580068 829494090 /nfs/dbraw/zinc/49/40/90/829494090.db2.gz DOVJJNRYBXTTLU-LBPRGKRZSA-N 1 0 304.354 -0.667 20 30 DBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)Nc2cnc(C#N)cn2)C1 ZINC001121588498 829494914 /nfs/dbraw/zinc/49/49/14/829494914.db2.gz BFGRESXXKXEDGZ-PWSUYJOCSA-N 1 0 304.354 -0.811 20 30 DBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 ZINC001121591524 829496016 /nfs/dbraw/zinc/49/60/16/829496016.db2.gz QBTKTDSOINCTAG-ZYHUDNBSSA-N 1 0 304.354 -0.811 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 ZINC001121592111 829496922 /nfs/dbraw/zinc/49/69/22/829496922.db2.gz YMYIYQQZGXMNCL-QWRGUYRKSA-N 1 0 304.354 -0.811 20 30 DBEDRO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176639397 833415199 /nfs/dbraw/zinc/41/51/99/833415199.db2.gz UWFNWRJETJAOBE-QWHCGFSZSA-N 1 0 315.439 -0.034 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC001121668287 829502160 /nfs/dbraw/zinc/50/21/60/829502160.db2.gz RUUXLKZPSXFMER-RURBXUPXSA-N 1 0 308.382 -0.821 20 30 DBEDRO C#CC[NH2+]C[C@@H](CCCC)NC(=O)Cn1nc(C)n(C)c1=O ZINC001276269862 833415913 /nfs/dbraw/zinc/41/59/13/833415913.db2.gz XFBSMFOSPBVBBM-CYBMUJFWSA-N 1 0 307.398 -0.212 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001176676628 833415928 /nfs/dbraw/zinc/41/59/28/833415928.db2.gz WZIOPBCLDWDJSW-MRXNPFEDSA-N 1 0 323.437 -0.157 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@H](CO)Nc2nccnc2C#N)CC1 ZINC001121719017 829507053 /nfs/dbraw/zinc/50/70/53/829507053.db2.gz VXVSWTMQZJTGBI-GFCCVEGCSA-N 1 0 318.381 -0.421 20 30 DBEDRO C[NH+](C)CCOCC(=O)NC[C@@H](CO)Nc1ncccc1C#N ZINC001121807362 829514058 /nfs/dbraw/zinc/51/40/58/829514058.db2.gz SNVGSDCPTUWRBV-ZDUSSCGKSA-N 1 0 321.381 -0.580 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccnc(C#N)n2)C1 ZINC001121805875 829514591 /nfs/dbraw/zinc/51/45/91/829514591.db2.gz FSUWNAROBPHQMN-RYUDHWBXSA-N 1 0 318.381 -0.999 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 ZINC001121806449 829514619 /nfs/dbraw/zinc/51/46/19/829514619.db2.gz LUGZYCOATGFKOI-YPMHNXCESA-N 1 0 318.381 -0.421 20 30 DBEDRO CC[C@H](C(=O)NC[C@@H](CO)Nc1nccnc1C#N)[NH+](C)C ZINC001121811674 829515217 /nfs/dbraw/zinc/51/52/17/829515217.db2.gz DZKJVRJGRLPQJA-CMPLNLGQSA-N 1 0 306.370 -0.423 20 30 DBEDRO CC[C@@H](C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1)[NH+](C)C ZINC001121812102 829515622 /nfs/dbraw/zinc/51/56/22/829515622.db2.gz KBKYYXBXOOQHLD-NEPJUHHUSA-N 1 0 306.370 -0.423 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 ZINC001121807573 829515812 /nfs/dbraw/zinc/51/58/12/829515812.db2.gz VVWDMFJGHBYCFY-RYUDHWBXSA-N 1 0 318.381 -0.421 20 30 DBEDRO CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)C1 ZINC001121835863 829518399 /nfs/dbraw/zinc/51/83/99/829518399.db2.gz WSSTZXHACZFCSK-VDOARHDCSA-N 1 0 318.377 -0.375 20 30 DBEDRO CCC[N@H+](C)CCC(=O)NC[C@@H](CO)Nc1ccnc(C#N)n1 ZINC001121837572 829518777 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324.406 -0.070 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC(=O)N(CC)C2)C1=O ZINC001128649191 830112741 /nfs/dbraw/zinc/11/27/41/830112741.db2.gz CHWVPCACCPFFRR-OLZOCXBDSA-N 1 0 322.409 -0.653 20 30 DBEDRO C=C(Br)C[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128685874 830121573 /nfs/dbraw/zinc/12/15/73/830121573.db2.gz IABOYYWVNALTAW-UHFFFAOYSA-N 1 0 322.203 -0.247 20 30 DBEDRO COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1 ZINC001128830393 830135384 /nfs/dbraw/zinc/13/53/84/830135384.db2.gz RLQDQVHHGPQWFI-UPJWGTAASA-N 1 0 306.370 -0.184 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCC)C[C@@H]1n1ccnn1 ZINC001128908481 830139473 /nfs/dbraw/zinc/13/94/73/830139473.db2.gz ZWBJZYBPLIQTNL-OLZOCXBDSA-N 1 0 318.381 -0.831 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCC2 ZINC001128910425 830139670 /nfs/dbraw/zinc/13/96/70/830139670.db2.gz ZLRTXOUXXDOGKO-LLVKDONJSA-N 1 0 305.382 -0.161 20 30 DBEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001128929161 830142104 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ZINC001129410388 830178738 /nfs/dbraw/zinc/17/87/38/830178738.db2.gz JNAVLKOXSAXXHM-UHFFFAOYSA-N 1 0 320.378 -0.337 20 30 DBEDRO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129482231 830182952 /nfs/dbraw/zinc/18/29/52/830182952.db2.gz SFBVRGJMVBWEDS-MCIONIFRSA-N 1 0 323.397 -0.407 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 ZINC001129506804 830185083 /nfs/dbraw/zinc/18/50/83/830185083.db2.gz OJNIUNRQPZNNHR-UPJWGTAASA-N 1 0 318.381 -0.833 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC)C[C@@H]1n1ccnn1 ZINC001129521563 830185981 /nfs/dbraw/zinc/18/59/81/830185981.db2.gz MGIZCVWVFJTNOG-OLZOCXBDSA-N 1 0 318.381 -0.831 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001129521932 830187419 /nfs/dbraw/zinc/18/74/19/830187419.db2.gz XWGRNALEOGSVSC-RTXFEEFZSA-N 1 0 306.370 -0.670 20 30 DBEDRO C=CCCC[NH2+][C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001129537284 830188765 /nfs/dbraw/zinc/18/87/65/830188765.db2.gz 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/nfs/dbraw/zinc/74/56/77/830745677.db2.gz XFRDWSZMGYWWHR-UHFFFAOYSA-N 1 0 324.425 -0.261 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133185598 830750068 /nfs/dbraw/zinc/75/00/68/830750068.db2.gz GAZHSJJSOAEZGE-VXGBXAGGSA-N 1 0 308.382 -0.202 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001133185595 830750083 /nfs/dbraw/zinc/75/00/83/830750083.db2.gz GAZHSJJSOAEZGE-NEPJUHHUSA-N 1 0 308.382 -0.202 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2nonc2c1 ZINC001133220198 830759067 /nfs/dbraw/zinc/75/90/67/830759067.db2.gz GEBQNJUEYVLTPB-SNVBAGLBSA-N 1 0 315.333 -0.320 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@@H]1C ZINC001133274062 830762041 /nfs/dbraw/zinc/76/20/41/830762041.db2.gz ARFXEIWVZVLDJS-QWHCGFSZSA-N 1 0 315.439 -0.415 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccnc1OC ZINC001133273747 830762093 /nfs/dbraw/zinc/76/20/93/830762093.db2.gz ORYYGXLVGXXGGW-NSHDSACASA-N 1 0 304.350 -0.453 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001133300980 830765235 /nfs/dbraw/zinc/76/52/35/830765235.db2.gz BPLGFWYCKUWJAC-CHWSQXEVSA-N 1 0 305.378 -0.157 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C ZINC001133307174 830766247 /nfs/dbraw/zinc/76/62/47/830766247.db2.gz VNUGODNKIRFXHI-VXGBXAGGSA-N 1 0 308.382 -0.202 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133333447 830768592 /nfs/dbraw/zinc/76/85/92/830768592.db2.gz HPMRYFHDJKJRKW-NWDGAFQWSA-N 1 0 303.428 -0.204 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133334384 830768763 /nfs/dbraw/zinc/76/87/63/830768763.db2.gz WSMFHRTVKGSIOX-QWHCGFSZSA-N 1 0 315.439 -0.367 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC ZINC001133460851 830776431 /nfs/dbraw/zinc/77/64/31/830776431.db2.gz GELQNEZZEXWJOJ-WDEREUQCSA-N 1 0 314.386 -0.483 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1=COCCO1 ZINC001133580568 830790385 /nfs/dbraw/zinc/79/03/85/830790385.db2.gz BZPCOCKCQGLABB-GHMZBOCLSA-N 1 0 310.354 -0.613 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)c1 ZINC001133597336 830790821 /nfs/dbraw/zinc/79/08/21/830790821.db2.gz OBUCFSGITGRJBB-JTQLQIEISA-N 1 0 317.349 -0.774 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001133593006 830790974 /nfs/dbraw/zinc/79/09/74/830790974.db2.gz JTWXFPGCMBPYPW-LBPRGKRZSA-N 1 0 300.318 -0.813 20 30 DBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133617929 830794250 /nfs/dbraw/zinc/79/42/50/830794250.db2.gz DDGUCNISBDYFRH-SECBINFHSA-N 1 0 315.399 -0.269 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCCC1=O ZINC001133636035 830799642 /nfs/dbraw/zinc/79/96/42/830799642.db2.gz BGWPFPJQYRJBMZ-QWHCGFSZSA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001133637167 830801366 /nfs/dbraw/zinc/80/13/66/830801366.db2.gz UGLMIQFBZALQHB-QWHCGFSZSA-N 1 0 318.377 -0.444 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001133659674 830804106 /nfs/dbraw/zinc/80/41/06/830804106.db2.gz GAVQGJPZAOSWMI-SNVBAGLBSA-N 1 0 304.354 -0.825 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001133667520 830805555 /nfs/dbraw/zinc/80/55/55/830805555.db2.gz HAEOWQPAMYPEPY-VXGBXAGGSA-N 1 0 317.393 -0.327 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cccn1 ZINC001133675725 830806441 /nfs/dbraw/zinc/80/64/41/830806441.db2.gz UWMHMSKHJGLDSN-CHWSQXEVSA-N 1 0 305.382 -0.495 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccnc2c1ncn2C ZINC001133688021 830810291 /nfs/dbraw/zinc/81/02/91/830810291.db2.gz ROGNPGHXZKBSDD-UHFFFAOYSA-N 1 0 316.365 -0.410 20 30 DBEDRO Cc1c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)cnn1C ZINC001133708243 830812346 /nfs/dbraw/zinc/81/23/46/830812346.db2.gz RQNDQEZSNNUNFM-QWRGUYRKSA-N 1 0 320.397 -0.145 20 30 DBEDRO Cc1c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)cnn1C ZINC001133708241 830812943 /nfs/dbraw/zinc/81/29/43/830812943.db2.gz RQNDQEZSNNUNFM-GHMZBOCLSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CSCC#N ZINC001133735359 830813743 /nfs/dbraw/zinc/81/37/43/830813743.db2.gz CSZVXHNURWWBGB-QWRGUYRKSA-N 1 0 311.411 -0.244 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CSCC#N ZINC001133735147 830814534 /nfs/dbraw/zinc/81/45/34/830814534.db2.gz BFLDYXTYXSKLKI-IUCAKERBSA-N 1 0 315.399 -0.689 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133740142 830815174 /nfs/dbraw/zinc/81/51/74/830815174.db2.gz BDLHJCAKZDZLIO-NWDGAFQWSA-N 1 0 312.414 -0.360 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)CSCC#N ZINC001133735662 830815291 /nfs/dbraw/zinc/81/52/91/830815291.db2.gz GBSDBOKWFVHFJP-UWVGGRQHSA-N 1 0 311.415 -0.160 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(CC)c1CC ZINC001133762483 830820591 /nfs/dbraw/zinc/82/05/91/830820591.db2.gz APHYSLQGAVDOTF-NSHDSACASA-N 1 0 322.413 -0.130 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772590 830822413 /nfs/dbraw/zinc/82/24/13/830822413.db2.gz ASAIJMKLBYJYGX-RYUDHWBXSA-N 1 0 324.425 -0.312 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]CC(=O)NCC#N ZINC001133774743 830823664 /nfs/dbraw/zinc/82/36/64/830823664.db2.gz QZIINTRORKMZAX-MNOVXSKESA-N 1 0 323.397 -0.975 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC1CC1 ZINC001133779098 830825535 /nfs/dbraw/zinc/82/55/35/830825535.db2.gz KOSNKPLBEPMXMH-RYUDHWBXSA-N 1 0 310.398 -0.074 20 30 DBEDRO Cc1ncncc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133813110 830830640 /nfs/dbraw/zinc/83/06/40/830830640.db2.gz UZZJTOKVHAKERV-GHMZBOCLSA-N 1 0 318.381 -0.089 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133834819 830833051 /nfs/dbraw/zinc/83/30/51/830833051.db2.gz CYTGDJCSQUCHLC-MNOVXSKESA-N 1 0 319.427 -0.794 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001133865267 830841165 /nfs/dbraw/zinc/84/11/65/830841165.db2.gz BPODUBDOIBRWHP-ZDUSSCGKSA-N 1 0 317.393 -0.791 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccnn1C ZINC001133872521 830845861 /nfs/dbraw/zinc/84/58/61/830845861.db2.gz WBOFSGZKKLNFAX-VXGBXAGGSA-N 1 0 305.382 -0.344 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133877393 830848137 /nfs/dbraw/zinc/84/81/37/830848137.db2.gz WUKRMOMUGYCCGD-ZDUSSCGKSA-N 1 0 302.378 -0.196 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001133880522 830848284 /nfs/dbraw/zinc/84/82/84/830848284.db2.gz KJBJNDZNJNIEMI-GHMZBOCLSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCCOC ZINC001133926223 830858331 /nfs/dbraw/zinc/85/83/31/830858331.db2.gz FKDCWZOKELXPKF-OLZOCXBDSA-N 1 0 313.398 -0.728 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133940245 830860566 /nfs/dbraw/zinc/86/05/66/830860566.db2.gz VAXUSTIGZQUDCB-TUAOUCFPSA-N 1 0 310.398 -0.716 20 30 DBEDRO N#CCOc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001133943690 830862213 /nfs/dbraw/zinc/86/22/13/830862213.db2.gz RMUZHQOAXFROOZ-KGLIPLIRSA-N 1 0 316.361 -0.084 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nccnc1N ZINC001133952853 830864516 /nfs/dbraw/zinc/86/45/16/830864516.db2.gz FMWRAWQGSOAGAR-QWRGUYRKSA-N 1 0 320.397 -0.153 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014218 830874845 /nfs/dbraw/zinc/87/48/45/830874845.db2.gz NZFDARXHOBBHDC-RKDXNWHRSA-N 1 0 320.353 -0.432 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001134053288 830883768 /nfs/dbraw/zinc/88/37/68/830883768.db2.gz QWGZDLHBBHJQBH-UPJWGTAASA-N 1 0 316.423 -0.282 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001134052937 830884028 /nfs/dbraw/zinc/88/40/28/830884028.db2.gz GPXFHPJNOJLJGK-OLZOCXBDSA-N 1 0 312.414 -0.009 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134045739 830884483 /nfs/dbraw/zinc/88/44/83/830884483.db2.gz OPKUTJCMVMRILF-JHJVBQTASA-N 1 0 317.393 -0.633 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)cn1 ZINC001134105197 830889603 /nfs/dbraw/zinc/88/96/03/830889603.db2.gz RAKUKGGUPGYZJI-RYUDHWBXSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001134129951 830895157 /nfs/dbraw/zinc/89/51/57/830895157.db2.gz ABZJMENXCHQLHZ-OLZOCXBDSA-N 1 0 320.397 -0.710 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001134129953 830895321 /nfs/dbraw/zinc/89/53/21/830895321.db2.gz ABZJMENXCHQLHZ-STQMWFEESA-N 1 0 320.397 -0.710 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001134130011 830895585 /nfs/dbraw/zinc/89/55/85/830895585.db2.gz AZTPUVGXYFUVQO-NWDGAFQWSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001134131020 830896204 /nfs/dbraw/zinc/89/62/04/830896204.db2.gz PLAFEUIGNIWFHJ-QWRGUYRKSA-N 1 0 320.397 -0.374 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001134131025 830896223 /nfs/dbraw/zinc/89/62/23/830896223.db2.gz PMUBXNDIUSBHKS-STQMWFEESA-N 1 0 324.425 -0.523 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001134131140 830896231 /nfs/dbraw/zinc/89/62/31/830896231.db2.gz RFZDNILGAOKGAG-QWHCGFSZSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001134131383 830896447 /nfs/dbraw/zinc/89/64/47/830896447.db2.gz VMSLIJONZACIGA-OLZOCXBDSA-N 1 0 324.425 -0.477 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001134131358 830896543 /nfs/dbraw/zinc/89/65/43/830896543.db2.gz VFMVOTQTIGBSBU-CHWSQXEVSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001134130407 830896558 /nfs/dbraw/zinc/89/65/58/830896558.db2.gz HHPHBUKURWMBAV-OLZOCXBDSA-N 1 0 322.409 -0.699 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001134130697 830896656 /nfs/dbraw/zinc/89/66/56/830896656.db2.gz LJKGDMZEDTZVMU-WDEREUQCSA-N 1 0 321.381 -0.110 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001134131116 830896674 /nfs/dbraw/zinc/89/66/74/830896674.db2.gz QSAPCVWYXQFNOU-QWRGUYRKSA-N 1 0 307.354 -0.418 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001134131361 830896947 /nfs/dbraw/zinc/89/69/47/830896947.db2.gz VFMVOTQTIGBSBU-STQMWFEESA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ncnn1C ZINC001134130681 830896969 /nfs/dbraw/zinc/89/69/69/830896969.db2.gz LGZCSDJYMOMNFH-VXGBXAGGSA-N 1 0 320.397 -0.673 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134134930 830897508 /nfs/dbraw/zinc/89/75/08/830897508.db2.gz PLQJKXOXKPETOH-NEPJUHHUSA-N 1 0 309.370 -0.494 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134113 830897533 /nfs/dbraw/zinc/89/75/33/830897533.db2.gz CHMLUCNODQDMQI-WDEREUQCSA-N 1 0 324.385 -0.841 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134933 830897690 /nfs/dbraw/zinc/89/76/90/830897690.db2.gz PLQJKXOXKPETOH-VXGBXAGGSA-N 1 0 309.370 -0.494 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001134138330 830898494 /nfs/dbraw/zinc/89/84/94/830898494.db2.gz GIWWUBRBROULSL-RKDXNWHRSA-N 1 0 320.353 -0.432 20 30 DBEDRO COc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)on1 ZINC001134135059 830898572 /nfs/dbraw/zinc/89/85/72/830898572.db2.gz RIXAZVVLYSUXMD-UWVGGRQHSA-N 1 0 323.353 -0.191 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001134142781 830900277 /nfs/dbraw/zinc/90/02/77/830900277.db2.gz GSZKJQUIGBOCLC-VXGBXAGGSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C(C)C)n[nH]1 ZINC001134161780 830902736 /nfs/dbraw/zinc/90/27/36/830902736.db2.gz XOAMCHYBDPPNFH-NSHDSACASA-N 1 0 305.382 -0.010 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219349 830909917 /nfs/dbraw/zinc/90/99/17/830909917.db2.gz LQUNJNOIBOGKLQ-WDEREUQCSA-N 1 0 324.381 -0.233 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cncnc1 ZINC001134228007 830911218 /nfs/dbraw/zinc/91/12/18/830911218.db2.gz LNWZEFDBPCNDEV-RYUDHWBXSA-N 1 0 318.381 -0.468 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240134 830913450 /nfs/dbraw/zinc/91/34/50/830913450.db2.gz MMRQLVORXDOVHJ-QWHCGFSZSA-N 1 0 309.410 -0.013 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240238 830913634 /nfs/dbraw/zinc/91/36/34/830913634.db2.gz OEHHUEWPBPWATR-RYUDHWBXSA-N 1 0 322.409 -0.913 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134244793 830914523 /nfs/dbraw/zinc/91/45/23/830914523.db2.gz QCAINKBRDMBQNV-MNOVXSKESA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001134303250 830921743 /nfs/dbraw/zinc/92/17/43/830921743.db2.gz QAKIPFHDXGYMID-VXGBXAGGSA-N 1 0 305.382 -0.046 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001134307737 830921841 /nfs/dbraw/zinc/92/18/41/830921841.db2.gz OICOSRUVLJEKEG-CHWSQXEVSA-N 1 0 309.410 -0.086 20 30 DBEDRO Cc1c[nH]nc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134307520 830921875 /nfs/dbraw/zinc/92/18/75/830921875.db2.gz MMSDGEDSUMDHMH-WDEREUQCSA-N 1 0 306.370 -0.156 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 ZINC001134338558 830923896 /nfs/dbraw/zinc/92/38/96/830923896.db2.gz XMUHEXHFCFTIRT-VXGBXAGGSA-N 1 0 320.397 -0.525 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC1(O)CCC1 ZINC001134348869 830924496 /nfs/dbraw/zinc/92/44/96/830924496.db2.gz OPYAUEHMTBUTES-RYUDHWBXSA-N 1 0 310.398 -0.196 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001134350985 830924702 /nfs/dbraw/zinc/92/47/02/830924702.db2.gz AGJNGWVEEFOPKZ-QWHCGFSZSA-N 1 0 318.439 -0.056 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1CCNC1=O ZINC001134351638 830924654 /nfs/dbraw/zinc/92/46/54/830924654.db2.gz IQUMLFKASUBXHS-UONOGXRCSA-N 1 0 324.425 -0.076 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC1(O)CCC1 ZINC001134348868 830924741 /nfs/dbraw/zinc/92/47/41/830924741.db2.gz OPYAUEHMTBUTES-NWDGAFQWSA-N 1 0 310.398 -0.196 20 30 DBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001134351978 830924865 /nfs/dbraw/zinc/92/48/65/830924865.db2.gz MRLZXNDLVJIBQH-NEPJUHHUSA-N 1 0 320.459 -0.217 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134352371 830925311 /nfs/dbraw/zinc/92/53/11/830925311.db2.gz QCSZCZUHLMDJHA-GHMZBOCLSA-N 1 0 312.370 -0.906 20 30 DBEDRO Cc1nnc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001134357644 830929039 /nfs/dbraw/zinc/92/90/39/830929039.db2.gz YOFKALJIGMRBNU-NXEZZACHSA-N 1 0 321.385 -0.832 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401806 830933777 /nfs/dbraw/zinc/93/37/77/830933777.db2.gz WWLBXNVDCBOBEM-WDEREUQCSA-N 1 0 306.370 -0.727 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134400996 830934128 /nfs/dbraw/zinc/93/41/28/830934128.db2.gz SNSYQZGJZOZHNV-JTQLQIEISA-N 1 0 322.369 -0.942 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134407006 830935145 /nfs/dbraw/zinc/93/51/45/830935145.db2.gz MBOGTVVTBIUCOI-UHFFFAOYSA-N 1 0 306.370 -0.580 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426931 830936381 /nfs/dbraw/zinc/93/63/81/830936381.db2.gz IFVNIBVNLVTRQO-NEPJUHHUSA-N 1 0 316.423 -0.446 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134503589 830941774 /nfs/dbraw/zinc/94/17/74/830941774.db2.gz PXTRMYMAZCRHLM-STQMWFEESA-N 1 0 322.409 -0.911 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134502764 830941840 /nfs/dbraw/zinc/94/18/40/830941840.db2.gz GLLQHIZVDXIKFD-CHWSQXEVSA-N 1 0 324.425 -0.359 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509096 830942872 /nfs/dbraw/zinc/94/28/72/830942872.db2.gz MSHGZMUXRWPBFT-NWDGAFQWSA-N 1 0 303.428 -0.226 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CC)nc1C ZINC001134507827 830942859 /nfs/dbraw/zinc/94/28/59/830942859.db2.gz IQJWXLARAJSWNU-LBPRGKRZSA-N 1 0 305.382 -0.331 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2nccc2C)C1=O ZINC001134517811 830944569 /nfs/dbraw/zinc/94/45/69/830944569.db2.gz SWDRFIGYVUFVLA-CYBMUJFWSA-N 1 0 305.382 -0.316 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134517899 830944902 /nfs/dbraw/zinc/94/49/02/830944902.db2.gz WFTGYHGLGDGRMC-CHWSQXEVSA-N 1 0 305.382 -0.322 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001134524999 830947092 /nfs/dbraw/zinc/94/70/92/830947092.db2.gz URYVSCMTKFDJAQ-QWRGUYRKSA-N 1 0 313.402 -0.910 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134540799 830948828 /nfs/dbraw/zinc/94/88/28/830948828.db2.gz LURJXPVNFOBVFU-STQMWFEESA-N 1 0 322.409 -0.004 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001134546054 830949845 /nfs/dbraw/zinc/94/98/45/830949845.db2.gz VKYZEEKUBFBLNQ-QWHCGFSZSA-N 1 0 319.409 -0.035 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001134546053 830950519 /nfs/dbraw/zinc/95/05/19/830950519.db2.gz VKYZEEKUBFBLNQ-OLZOCXBDSA-N 1 0 319.409 -0.035 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134553349 830951145 /nfs/dbraw/zinc/95/11/45/830951145.db2.gz PHELPKYAAAAHFM-RYUDHWBXSA-N 1 0 301.412 -0.472 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(C(C)C)n1 ZINC001134596746 830953772 /nfs/dbraw/zinc/95/37/72/830953772.db2.gz RIKRLSFKIHJWPZ-GFCCVEGCSA-N 1 0 305.382 -0.079 20 30 DBEDRO C[C@@H]1CCCC[C@@H]1OCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134631279 830958948 /nfs/dbraw/zinc/95/89/48/830958948.db2.gz UCKDYIFCOLFWMA-OLZOCXBDSA-N 1 0 310.398 -0.073 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134644665 830961659 /nfs/dbraw/zinc/96/16/59/830961659.db2.gz RVXQKCJWQOVFOH-LBPRGKRZSA-N 1 0 304.412 -0.280 20 30 DBEDRO C=C(Cl)C[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665455 830965687 /nfs/dbraw/zinc/96/56/87/830965687.db2.gz MUQSEMWVDWTWET-UHFFFAOYSA-N 1 0 300.746 -0.844 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134670004 830967736 /nfs/dbraw/zinc/96/77/36/830967736.db2.gz PZXCZTJACTVGPN-SNVBAGLBSA-N 1 0 319.427 -0.794 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001134674362 830968856 /nfs/dbraw/zinc/96/88/56/830968856.db2.gz ARWUOICBXCYHCB-GHMZBOCLSA-N 1 0 321.381 -0.029 20 30 DBEDRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134685876 830969313 /nfs/dbraw/zinc/96/93/13/830969313.db2.gz WDNPJVYUKMNWJW-BDAKNGLRSA-N 1 0 322.369 -0.450 20 30 DBEDRO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134685878 830969416 /nfs/dbraw/zinc/96/94/16/830969416.db2.gz WDNPJVYUKMNWJW-IUCAKERBSA-N 1 0 322.369 -0.450 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769039 830976007 /nfs/dbraw/zinc/97/60/07/830976007.db2.gz IGXUIQQOLYJSQS-NWDGAFQWSA-N 1 0 310.398 -0.865 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134770389 830976962 /nfs/dbraw/zinc/97/69/62/830976962.db2.gz VNVDCPVTTAPKRI-UHFFFAOYSA-N 1 0 320.397 -0.015 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770684 830976974 /nfs/dbraw/zinc/97/69/74/830976974.db2.gz PYZASFQCOBJBBI-RYUDHWBXSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134769041 830977110 /nfs/dbraw/zinc/97/71/10/830977110.db2.gz IGXUIQQOLYJSQS-RYUDHWBXSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787269 830977872 /nfs/dbraw/zinc/97/78/72/830977872.db2.gz JQGGTXQDODDLFD-ZIAGYGMSSA-N 1 0 308.426 -0.343 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001134817127 830979308 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DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001276941638 833912196 /nfs/dbraw/zinc/91/21/96/833912196.db2.gz XQEMUNBCBZGNPY-GVXVVHGQSA-N 1 0 303.366 -0.354 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001276945753 833912387 /nfs/dbraw/zinc/91/23/87/833912387.db2.gz BENPUYYBUXMMLA-XUXIUFHCSA-N 1 0 308.378 -0.070 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001276969727 833915029 /nfs/dbraw/zinc/91/50/29/833915029.db2.gz HDOHCINFKYITLX-YRGRVCCFSA-N 1 0 318.439 -0.158 20 30 DBEDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)nn1 ZINC001276976636 833915956 /nfs/dbraw/zinc/91/59/56/833915956.db2.gz GTLMOXSQTRSRHC-HAQNSBGRSA-N 1 0 316.365 -0.477 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CO[C@H]2CCOC2)C1 ZINC001276983200 833916796 /nfs/dbraw/zinc/91/67/96/833916796.db2.gz GJJWYNWTOWMMMK-IHRRRGAJSA-N 1 0 323.393 -0.974 20 30 DBEDRO C#CCCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)NCC(=O)N(C)C ZINC001276977704 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320.393 -0.202 20 30 DBEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001202635018 835257584 /nfs/dbraw/zinc/25/75/84/835257584.db2.gz VYMJCGHHYLRABH-OLZOCXBDSA-N 1 0 320.393 -0.154 20 30 DBEDRO C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001266259698 835257537 /nfs/dbraw/zinc/25/75/37/835257537.db2.gz JBHQBCGCEUBGLB-HNNXBMFYSA-N 1 0 320.437 -0.340 20 30 DBEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001202634538 835257866 /nfs/dbraw/zinc/25/78/66/835257866.db2.gz SARRQBZOZVKFPZ-MNOVXSKESA-N 1 0 324.381 -0.599 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C12CCC2 ZINC001202653364 835258440 /nfs/dbraw/zinc/25/84/40/835258440.db2.gz HEEZRVKDCFZLIA-QWRGUYRKSA-N 1 0 308.382 -0.819 20 30 DBEDRO C#CCC[NH2+]C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC001202771633 835263895 /nfs/dbraw/zinc/26/38/95/835263895.db2.gz JEAKJQNZZCAIKF-UHFFFAOYSA-N 1 0 320.349 -0.989 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001202802467 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1013670391 /nfs/dbraw/zinc/67/03/91/1013670391.db2.gz PXQSIIXLJDUSEE-MNOVXSKESA-N 1 0 319.369 -0.870 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)[C@@H]2C)nn1 ZINC001486092035 1013671094 /nfs/dbraw/zinc/67/10/94/1013671094.db2.gz XVTUGGYRISRGBH-WDEREUQCSA-N 1 0 306.370 -0.597 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cccn2)C1 ZINC001486102204 1013673891 /nfs/dbraw/zinc/67/38/91/1013673891.db2.gz SWKLFXKSYGTQGH-CHWSQXEVSA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cccn2)C1 ZINC001486101113 1013674047 /nfs/dbraw/zinc/67/40/47/1013674047.db2.gz MMRBHJFGGBTDNX-ZIAGYGMSSA-N 1 0 317.393 -0.398 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cccn2)C1 ZINC001486102210 1013674402 /nfs/dbraw/zinc/67/44/02/1013674402.db2.gz SWKLFXKSYGTQGH-OLZOCXBDSA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CSCC#N)C1 ZINC001486102905 1013675141 /nfs/dbraw/zinc/67/51/41/1013675141.db2.gz XSQDXWHLGYCDBG-VXGBXAGGSA-N 1 0 308.407 -0.428 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cccn2)C1 ZINC001486102212 1013675917 /nfs/dbraw/zinc/67/59/17/1013675917.db2.gz SWKLFXKSYGTQGH-QWHCGFSZSA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CCCCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001486107235 1013677092 /nfs/dbraw/zinc/67/70/92/1013677092.db2.gz KMKIXGDKVWDYAG-NEPJUHHUSA-N 1 0 308.382 -0.046 20 30 DBEDRO C#CCCCCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001486107241 1013678107 /nfs/dbraw/zinc/67/81/07/1013678107.db2.gz KMKIXGDKVWDYAG-VXGBXAGGSA-N 1 0 308.382 -0.046 20 30 DBEDRO C#CCCCCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001486107237 1013680418 /nfs/dbraw/zinc/68/04/18/1013680418.db2.gz KMKIXGDKVWDYAG-NWDGAFQWSA-N 1 0 308.382 -0.046 20 30 DBEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001486114858 1013681708 /nfs/dbraw/zinc/68/17/08/1013681708.db2.gz PQLGMFFAMIMFKI-CHWSQXEVSA-N 1 0 318.377 -0.377 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccnnc2C)C1 ZINC001486118615 1013687173 /nfs/dbraw/zinc/68/71/73/1013687173.db2.gz UMPXWCPUJPAQSQ-DGCLKSJQSA-N 1 0 315.377 -0.273 20 30 DBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1csc(=O)[nH]1 ZINC001486119258 1013687573 /nfs/dbraw/zinc/68/75/73/1013687573.db2.gz TZBUAOPPNMUHRE-DTWKUNHWSA-N 1 0 323.378 -0.319 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001486125195 1013688801 /nfs/dbraw/zinc/68/88/01/1013688801.db2.gz VMNVHXHOZQBJNY-RYUDHWBXSA-N 1 0 318.377 -0.044 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CCOCCO)C[C@H]2C)nn1 ZINC001486130827 1013693451 /nfs/dbraw/zinc/69/34/51/1013693451.db2.gz RKEFXKMOMCYQQD-OLZOCXBDSA-N 1 0 323.397 -0.334 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CCOCCO)C[C@@H]2C)nn1 ZINC001486130828 1013694179 /nfs/dbraw/zinc/69/41/79/1013694179.db2.gz RKEFXKMOMCYQQD-QWHCGFSZSA-N 1 0 323.397 -0.334 20 30 DBEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)CCCS(N)(=O)=O)CCC[C@@H]12 ZINC001486148697 1013697689 /nfs/dbraw/zinc/69/76/89/1013697689.db2.gz LTTLLUOUWYMUSZ-OCCSQVGLSA-N 1 0 313.423 -0.199 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 ZINC001486155519 1013697839 /nfs/dbraw/zinc/69/78/39/1013697839.db2.gz JQPFNGMRJOWOGM-HZSPNIEDSA-N 1 0 302.382 -0.087 20 30 DBEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001486203158 1013712485 /nfs/dbraw/zinc/71/24/85/1013712485.db2.gz UWZDTXWQALBCAE-RYUDHWBXSA-N 1 0 303.428 -0.014 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001486201567 1013712870 /nfs/dbraw/zinc/71/28/70/1013712870.db2.gz UCZMJXHSIKREBB-VXGBXAGGSA-N 1 0 303.428 -0.014 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cncnc2)C1 ZINC001486199123 1013712878 /nfs/dbraw/zinc/71/28/78/1013712878.db2.gz UEZPEUPBGRAGTA-TZMCWYRMSA-N 1 0 315.377 -0.286 20 30 DBEDRO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)nn1 ZINC001486214003 1013715173 /nfs/dbraw/zinc/71/51/73/1013715173.db2.gz DUGMPWMZIUUCAI-NEPJUHHUSA-N 1 0 320.397 -0.172 20 30 DBEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001486211405 1013715290 /nfs/dbraw/zinc/71/52/90/1013715290.db2.gz CCNHNXRQUXIHLL-NWDGAFQWSA-N 1 0 318.443 -0.557 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)CC1(C)C ZINC001486235630 1013723171 /nfs/dbraw/zinc/72/31/71/1013723171.db2.gz CIJRWFQTSBJWTR-CYBMUJFWSA-N 1 0 322.409 -0.911 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ncccn2)CC1(C)C ZINC001486243972 1013727770 /nfs/dbraw/zinc/72/77/70/1013727770.db2.gz LVKLBDATUUKEPV-GFCCVEGCSA-N 1 0 315.377 -0.334 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C2)nn1 ZINC001486243558 1013727940 /nfs/dbraw/zinc/72/79/40/1013727940.db2.gz FIGOFYMKMBUUHT-GFCCVEGCSA-N 1 0 320.397 -0.350 20 30 DBEDRO CC#CC[NH2+][C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C ZINC001486250517 1013729162 /nfs/dbraw/zinc/72/91/62/1013729162.db2.gz RKQRAXDOUROKSW-LBPRGKRZSA-N 1 0 318.381 -0.773 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C(F)(F)F ZINC001486254324 1013729746 /nfs/dbraw/zinc/72/97/46/1013729746.db2.gz SSSJERHIMYLTPW-NXEZZACHSA-N 1 0 320.315 -0.096 20 30 DBEDRO CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001486245416 1013729924 /nfs/dbraw/zinc/72/99/24/1013729924.db2.gz YDXBFHVXTATDRZ-WBMJQRKESA-N 1 0 322.409 -0.121 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001486253608 1013730664 /nfs/dbraw/zinc/73/06/64/1013730664.db2.gz NFXDCOUHKCWPTD-NXEZZACHSA-N 1 0 321.299 -0.652 20 30 DBEDRO C=C(Br)C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001486256221 1013732892 /nfs/dbraw/zinc/73/28/92/1013732892.db2.gz AWKLGRWDVRLPTK-SNVBAGLBSA-N 1 0 322.203 -0.560 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CCCCC1 ZINC001486257668 1013736996 /nfs/dbraw/zinc/73/69/96/1013736996.db2.gz SUOAUPXHVBBCKU-AWEZNQCLSA-N 1 0 309.410 -0.275 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(F)cc1 ZINC001486258099 1013738136 /nfs/dbraw/zinc/73/81/36/1013738136.db2.gz QARUBDUCWHRDHQ-CQSZACIVSA-N 1 0 321.352 -0.402 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1C=CCC1 ZINC001486258692 1013738267 /nfs/dbraw/zinc/73/82/67/1013738267.db2.gz AXKFTRUKQFHVNF-KBPBESRZSA-N 1 0 307.394 -0.499 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C)n1C ZINC001486259927 1013739369 /nfs/dbraw/zinc/73/93/69/1013739369.db2.gz RUXKDVPCNGXUNV-ZDUSSCGKSA-N 1 0 322.409 -0.342 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)on1 ZINC001486260102 1013739595 /nfs/dbraw/zinc/73/95/95/1013739595.db2.gz KCTGARAZWKULDV-VXGBXAGGSA-N 1 0 324.381 -0.304 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)on1 ZINC001486261339 1013743162 /nfs/dbraw/zinc/74/31/62/1013743162.db2.gz WMBLAZQFQJNZSC-NSHDSACASA-N 1 0 310.354 -0.692 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]Cc1nccn1C)C(=O)CSCC#N ZINC001486261835 1013744363 /nfs/dbraw/zinc/74/43/63/1013744363.db2.gz NEXYLCOFTGJXJW-NSHDSACASA-N 1 0 311.411 -0.414 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cccn1C ZINC001486261809 1013745316 /nfs/dbraw/zinc/74/53/16/1013745316.db2.gz MLJZXGFOMRAQAZ-STQMWFEESA-N 1 0 320.393 -0.815 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1occc1C ZINC001486261290 1013745505 /nfs/dbraw/zinc/74/55/05/1013745505.db2.gz GMIOJPCHRXFYRG-QWHCGFSZSA-N 1 0 321.377 -0.252 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486269150 1013757165 /nfs/dbraw/zinc/75/71/65/1013757165.db2.gz YJLMATXJSXBRIN-RYUDHWBXSA-N 1 0 305.806 -0.522 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486269151 1013758340 /nfs/dbraw/zinc/75/83/40/1013758340.db2.gz YJLMATXJSXBRIN-VXGBXAGGSA-N 1 0 305.806 -0.522 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001486271225 1013762415 /nfs/dbraw/zinc/76/24/15/1013762415.db2.gz MYPWDWIQDZMTSL-NWDGAFQWSA-N 1 0 323.397 -0.867 20 30 DBEDRO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001486272332 1013764766 /nfs/dbraw/zinc/76/47/66/1013764766.db2.gz WMNDMPDSVYPUPI-QWHCGFSZSA-N 1 0 319.365 -0.860 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)C#CC1CC1 ZINC001486277038 1013773748 /nfs/dbraw/zinc/77/37/48/1013773748.db2.gz SANBXCOJATXOQE-AWEZNQCLSA-N 1 0 307.394 -0.569 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C#CC(C)(C)C ZINC001486277247 1013774966 /nfs/dbraw/zinc/77/49/66/1013774966.db2.gz UUUVPWIXATXXFE-LBPRGKRZSA-N 1 0 308.382 -0.915 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001486284028 1013784438 /nfs/dbraw/zinc/78/44/38/1013784438.db2.gz FNWZOFUDBBPBDN-UONOGXRCSA-N 1 0 304.394 -0.122 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CS(=O)(=O)C1CCCC1 ZINC001486283787 1013785384 /nfs/dbraw/zinc/78/53/84/1013785384.db2.gz CUDMYISLJGFSBJ-GFCCVEGCSA-N 1 0 316.423 -0.614 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C2CC2)CC1 ZINC001486283333 1013785762 /nfs/dbraw/zinc/78/57/62/1013785762.db2.gz VNWXARHGTSDMAU-ZDUSSCGKSA-N 1 0 307.394 -0.665 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CC1(C)CC1 ZINC001486289592 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/nfs/dbraw/zinc/03/16/40/980031640.db2.gz LWPNPDCBABPGGT-OCCSQVGLSA-N 1 0 311.407 -0.227 20 30 DBEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@@H]1C[NH3+] ZINC001345169912 980034486 /nfs/dbraw/zinc/03/44/86/980034486.db2.gz SIMWZFLFBDQILE-XUJVJEKNSA-N 1 0 308.382 -0.429 20 30 DBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001345392717 980051655 /nfs/dbraw/zinc/05/16/55/980051655.db2.gz QHEHWAQYQANJFS-RYUDHWBXSA-N 1 0 304.412 -0.058 20 30 DBEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001345467110 980056756 /nfs/dbraw/zinc/05/67/56/980056756.db2.gz YJHWLAUXKYIYKG-CJNGLKHVSA-N 1 0 322.409 -0.072 20 30 DBEDRO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001345485474 980058749 /nfs/dbraw/zinc/05/87/49/980058749.db2.gz XODHWOWXLXLGBP-MNOVXSKESA-N 1 0 302.400 -0.452 20 30 DBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001345571035 980062578 /nfs/dbraw/zinc/06/25/78/980062578.db2.gz MFRUXWZFMODXPV-YWPYICTPSA-N 1 0 324.356 -0.570 20 30 DBEDRO C#CCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001345594630 980066860 /nfs/dbraw/zinc/06/68/60/980066860.db2.gz IHJVDFJGVBQBRD-QWHCGFSZSA-N 1 0 303.366 -0.797 20 30 DBEDRO C=CCOCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001345763521 980080151 /nfs/dbraw/zinc/08/01/51/980080151.db2.gz UJIYGSAWSPALPA-STQMWFEESA-N 1 0 313.398 -0.781 20 30 DBEDRO C#CCN(C(=O)C(=O)N1CC[C@@H](O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001345850142 980093326 /nfs/dbraw/zinc/09/33/26/980093326.db2.gz SOZSZYBHPCGKFL-DZGCQCFKSA-N 1 0 321.421 -0.228 20 30 DBEDRO N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001345857297 980093753 /nfs/dbraw/zinc/09/37/53/980093753.db2.gz YNZCMQZRTGOCKR-NHYWBVRUSA-N 1 0 306.366 -0.784 20 30 DBEDRO C#CCN(C(=O)C(=O)N1CC[C@H](O)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001345850144 980094181 /nfs/dbraw/zinc/09/41/81/980094181.db2.gz SOZSZYBHPCGKFL-HIFRSBDPSA-N 1 0 321.421 -0.228 20 30 DBEDRO C=C(C)COCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001345945504 980101591 /nfs/dbraw/zinc/10/15/91/980101591.db2.gz MFXBFZAKAFTMPL-CYBMUJFWSA-N 1 0 313.398 -0.468 20 30 DBEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001345966051 980103145 /nfs/dbraw/zinc/10/31/45/980103145.db2.gz OKMIWRBQAJVNLB-MRXNPFEDSA-N 1 0 322.409 -0.336 20 30 DBEDRO C=CCOCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001345981639 980105208 /nfs/dbraw/zinc/10/52/08/980105208.db2.gz JFABXYRSABZHCK-ZDUSSCGKSA-N 1 0 313.398 -0.468 20 30 DBEDRO O=C(C[C@@H]1CSCC[NH2+]1)NCCNC(=O)C1N=CC=CC1=O ZINC001346029876 980109874 /nfs/dbraw/zinc/10/98/74/980109874.db2.gz UWTJCVLRCMIGPK-WBNXYMAISA-N 1 0 324.406 -0.276 20 30 DBEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCN1C1CC1 ZINC001346037715 980109878 /nfs/dbraw/zinc/10/98/78/980109878.db2.gz VDAZZHGLNUMRAI-SCUASFONSA-N 1 0 317.393 -0.806 20 30 DBEDRO C=CCn1cc(CNC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC001346432544 980143569 /nfs/dbraw/zinc/14/35/69/980143569.db2.gz MWMBVOHEHNFYEV-CYBMUJFWSA-N 1 0 321.429 -0.101 20 30 DBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001347271403 980211206 /nfs/dbraw/zinc/21/12/06/980211206.db2.gz WYJBDCXGKBFJFD-CYBMUJFWSA-N 1 0 309.410 -0.016 20 30 DBEDRO C=CCOC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)OC ZINC001347532230 980231459 /nfs/dbraw/zinc/23/14/59/980231459.db2.gz RUFRTSIDRKWLBS-AVGNSLFASA-N 1 0 311.382 -0.765 20 30 DBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001348432148 980305688 /nfs/dbraw/zinc/30/56/88/980305688.db2.gz AHMTUDPSXJZGLB-LSDHHAIUSA-N 1 0 319.405 -0.066 20 30 DBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001348432228 980305795 /nfs/dbraw/zinc/30/57/95/980305795.db2.gz CEFIVQDZCLMLSK-WMLDXEAASA-N 1 0 319.405 -0.209 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NCCNC(=O)Cc2cc[nH]n2)CC1 ZINC001348691123 980350264 /nfs/dbraw/zinc/35/02/64/980350264.db2.gz KJCLJIXWQNYHGX-UHFFFAOYSA-N 1 0 317.393 -0.470 20 30 DBEDRO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001488956056 1014648281 /nfs/dbraw/zinc/64/82/81/1014648281.db2.gz NLZPTFSGSLSHSN-WCQYABFASA-N 1 0 305.378 -0.063 20 30 DBEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC001348860372 980374686 /nfs/dbraw/zinc/37/46/86/980374686.db2.gz OMHUBMIWIJFBSP-GFCCVEGCSA-N 1 0 310.379 -0.029 20 30 DBEDRO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001488967569 1014654186 /nfs/dbraw/zinc/65/41/86/1014654186.db2.gz VFQVUOUZBPYBCV-QWHCGFSZSA-N 1 0 320.393 -0.222 20 30 DBEDRO COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001349029331 980401675 /nfs/dbraw/zinc/40/16/75/980401675.db2.gz CPRQXWVSSWPMLF-QWHCGFSZSA-N 1 0 310.398 -0.121 20 30 DBEDRO C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN1CCNC(=O)C1 ZINC001488999727 1014657721 /nfs/dbraw/zinc/65/77/21/1014657721.db2.gz VGHBQDRQCMIZNS-GJZGRUSLSA-N 1 0 320.437 -0.342 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NCCCNC(=O)CCOC)CC1 ZINC001349589266 980487845 /nfs/dbraw/zinc/48/78/45/980487845.db2.gz HXZAIKZTYAHQQM-UHFFFAOYSA-N 1 0 309.410 -0.009 20 30 DBEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC001349621140 980492067 /nfs/dbraw/zinc/49/20/67/980492067.db2.gz OSQZSXWWKPMFIP-ZIAGYGMSSA-N 1 0 310.419 -0.118 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)CSCC#N)C2)C1 ZINC001530350151 1014661785 /nfs/dbraw/zinc/66/17/85/1014661785.db2.gz AUACPTXUXRKDOC-LLVKDONJSA-N 1 0 310.423 -0.088 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1OCC ZINC001489020418 1014663495 /nfs/dbraw/zinc/66/34/95/1014663495.db2.gz LUFOHYGQXUJWHC-ZIAGYGMSSA-N 1 0 305.382 -0.246 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O ZINC001489032256 1014663942 /nfs/dbraw/zinc/66/39/42/1014663942.db2.gz SYOYDYAJLRADJV-UPJWGTAASA-N 1 0 322.409 -0.784 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1OCC ZINC001489022087 1014664012 /nfs/dbraw/zinc/66/40/12/1014664012.db2.gz BZKBJBHJOOVMJX-CHWSQXEVSA-N 1 0 316.423 -0.493 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC(OC)(c2cnnn2C)C1 ZINC001350366254 980564705 /nfs/dbraw/zinc/56/47/05/980564705.db2.gz GGLXOEHEKXNKMM-LBPRGKRZSA-N 1 0 303.366 -0.403 20 30 DBEDRO C=C(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001350891275 980610899 /nfs/dbraw/zinc/61/08/99/980610899.db2.gz YKVCXTLLYVEGJN-UHFFFAOYSA-N 1 0 304.354 -0.448 20 30 DBEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001350966743 980616987 /nfs/dbraw/zinc/61/69/87/980616987.db2.gz RRWMASGLLRGLBO-QWHCGFSZSA-N 1 0 322.409 -0.039 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC001351594132 980673824 /nfs/dbraw/zinc/67/38/24/980673824.db2.gz AMAKMABBPCCJRF-LLVKDONJSA-N 1 0 304.354 -0.054 20 30 DBEDRO C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001489077362 1014675530 /nfs/dbraw/zinc/67/55/30/1014675530.db2.gz CJVKTSCKLPLVFJ-HNNXBMFYSA-N 1 0 304.350 -0.052 20 30 DBEDRO C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001489076849 1014675792 /nfs/dbraw/zinc/67/57/92/1014675792.db2.gz UBDNQWVBMFOWCV-SNVBAGLBSA-N 1 0 317.349 -0.953 20 30 DBEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001351856156 980694977 /nfs/dbraw/zinc/69/49/77/980694977.db2.gz ZCFPNAKACROTFF-GFCCVEGCSA-N 1 0 307.398 -0.619 20 30 DBEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001351984522 980703678 /nfs/dbraw/zinc/70/36/78/980703678.db2.gz MKQLDCIPGSXGMU-NTZNESFSSA-N 1 0 305.382 -0.867 20 30 DBEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001352798907 980749454 /nfs/dbraw/zinc/74/94/54/980749454.db2.gz QNRUQCWYUQNWAP-WFASDCNBSA-N 1 0 310.398 -0.041 20 30 DBEDRO CCOCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC001352920652 980762695 /nfs/dbraw/zinc/76/26/95/980762695.db2.gz SKQFKYBZSVJNPL-AWEZNQCLSA-N 1 0 322.409 -0.071 20 30 DBEDRO N#C[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCN1C1CC1 ZINC001353047784 980772213 /nfs/dbraw/zinc/77/22/13/980772213.db2.gz HXSMWNPGVOERJZ-ZDUSSCGKSA-N 1 0 319.409 -0.570 20 30 DBEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001353054965 980773339 /nfs/dbraw/zinc/77/33/39/980773339.db2.gz FNZBELBVHUIADA-HZSPNIEDSA-N 1 0 319.409 -0.558 20 30 DBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001353175240 980786786 /nfs/dbraw/zinc/78/67/86/980786786.db2.gz NYDXUDAHCNVXLR-XJKCOSOUSA-N 1 0 305.378 -0.505 20 30 DBEDRO C=CCS(=O)(=O)CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001353389701 980801642 /nfs/dbraw/zinc/80/16/42/980801642.db2.gz AYIJZHFTLXATJM-LLVKDONJSA-N 1 0 305.400 -0.783 20 30 DBEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001353613537 980811613 /nfs/dbraw/zinc/81/16/13/980811613.db2.gz CXRFXSPDBNYKMG-AAVRWANBSA-N 1 0 307.394 -0.118 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001354398765 980849002 /nfs/dbraw/zinc/84/90/02/980849002.db2.gz LCOOHBSRIFZMIM-STQMWFEESA-N 1 0 309.410 -0.013 20 30 DBEDRO C#CCN(C(=O)C(=O)NCc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC001354431893 980851870 /nfs/dbraw/zinc/85/18/70/980851870.db2.gz VQZINOYVGNVRLU-UHFFFAOYSA-N 1 0 317.393 -0.408 20 30 DBEDRO 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C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn(CC)c1C ZINC001491619258 1015524570 /nfs/dbraw/zinc/52/45/70/1015524570.db2.gz XOWVONKMZRRSAV-LLVKDONJSA-N 1 0 305.382 -0.331 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cn(CC)nn1 ZINC001491625564 1015526516 /nfs/dbraw/zinc/52/65/16/1015526516.db2.gz OHCREPOAVPLFQP-GHMZBOCLSA-N 1 0 308.386 -0.303 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnc(OC)nc1 ZINC001491628994 1015530510 /nfs/dbraw/zinc/53/05/10/1015530510.db2.gz ZGQJXSKPUFWOMD-JTQLQIEISA-N 1 0 307.354 -0.505 20 30 DBEDRO C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001376413563 990052561 /nfs/dbraw/zinc/05/25/61/990052561.db2.gz KCVIIHZGZNNDMR-LBPRGKRZSA-N 1 0 309.414 -0.596 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1c[nH]nc1C1CC1 ZINC001491628007 1015531182 /nfs/dbraw/zinc/53/11/82/1015531182.db2.gz QVMNCRVZZBIRGY-SNVBAGLBSA-N 1 0 303.366 -0.256 20 30 DBEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001376436116 990060330 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C[C@@H](C#N)C(=O)NC1(CO)CC[NH+](CCn2cccn2)CC1 ZINC001377549261 990650293 /nfs/dbraw/zinc/65/02/93/990650293.db2.gz JTTXIAGXZDJNRY-ZDUSSCGKSA-N 1 0 305.382 -0.014 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cnc(COC)s1 ZINC001491696141 1015577852 /nfs/dbraw/zinc/57/78/52/1015577852.db2.gz CSDYGGRIUPHBPX-JTQLQIEISA-N 1 0 324.406 -0.253 20 30 DBEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001377594961 990670704 /nfs/dbraw/zinc/67/07/04/990670704.db2.gz XEPASPSGRPICTH-VXGBXAGGSA-N 1 0 318.381 -0.267 20 30 DBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCOC)C1 ZINC001491700553 1015579732 /nfs/dbraw/zinc/57/97/32/1015579732.db2.gz FYGSRQARDXKRPW-AWEZNQCLSA-N 1 0 309.410 -0.009 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC001491700541 1015580625 /nfs/dbraw/zinc/58/06/25/1015580625.db2.gz FSSNLROHCRIYIA-CYBMUJFWSA-N 1 0 318.377 -0.205 20 30 DBEDRO C[C@H](O)C[NH+]1CCN(CCN(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001377727246 990709849 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DBEDRO C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H](C)C#N ZINC001602983434 1018091326 /nfs/dbraw/zinc/09/13/26/1018091326.db2.gz ISQVFAWDXZQUDV-DTWKUNHWSA-N 1 0 300.326 -0.240 20 30 DBEDRO C#CC[NH2+]C1(CNC(=O)CNC(=O)NCc2ccco2)CC1 ZINC001499461257 1018109262 /nfs/dbraw/zinc/10/92/62/1018109262.db2.gz GCJZCBVWSHYKEZ-UHFFFAOYSA-N 1 0 304.350 -0.050 20 30 DBEDRO CCC(=O)NCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001499814753 1018187032 /nfs/dbraw/zinc/18/70/32/1018187032.db2.gz CBFFODNHBPAKPW-RYUDHWBXSA-N 1 0 323.397 -0.879 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccon1 ZINC001499813596 1018187531 /nfs/dbraw/zinc/18/75/31/1018187531.db2.gz NDUHPFMNANBLJU-MNOVXSKESA-N 1 0 305.338 -0.103 20 30 DBEDRO CNC(=O)NCCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001499832080 1018188795 /nfs/dbraw/zinc/18/87/95/1018188795.db2.gz KILWAKRILCCFAO-KGLIPLIRSA-N 1 0 324.425 -0.076 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnoc2)[C@@H](C)C1 ZINC001499842806 1018190644 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-0.263 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC=C ZINC001567021588 1024468874 /nfs/dbraw/zinc/46/88/74/1024468874.db2.gz DKGHXDXRZOMWKH-KBPBESRZSA-N 1 0 306.410 -0.520 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001567026008 1024474226 /nfs/dbraw/zinc/47/42/26/1024474226.db2.gz SOXPIQMKMZTWBT-PSASIEDQSA-N 1 0 307.354 -0.730 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cn(C)nc1CC ZINC001567026393 1024477308 /nfs/dbraw/zinc/47/73/08/1024477308.db2.gz XFCAUKRLFNQOSB-NWDGAFQWSA-N 1 0 319.409 -0.172 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001567036245 1024479714 /nfs/dbraw/zinc/47/97/14/1024479714.db2.gz QGOKRZSNNRIXGU-SNVBAGLBSA-N 1 0 322.365 -0.606 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001567039827 1024480079 /nfs/dbraw/zinc/48/00/79/1024480079.db2.gz KBONAVVHFANVKO-NEPJUHHUSA-N 1 0 310.398 -0.701 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cnn2c1OCCC2 ZINC001567033937 1024482156 /nfs/dbraw/zinc/48/21/56/1024482156.db2.gz XVFGHXONADFSQW-LLVKDONJSA-N 1 0 319.365 -0.877 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1snnc1CC ZINC001567034012 1024483364 /nfs/dbraw/zinc/48/33/64/1024483364.db2.gz WNJYFFABSGGOPS-NXEZZACHSA-N 1 0 323.422 -0.054 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(=O)n1C ZINC001567053147 1024488363 /nfs/dbraw/zinc/48/83/63/1024488363.db2.gz QGWPNSUOZQXLDW-NEPJUHHUSA-N 1 0 320.393 -0.216 20 30 DBEDRO C=CCCC[NH2+][C@H](C)CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001567053353 1024489180 /nfs/dbraw/zinc/48/91/80/1024489180.db2.gz UTZMIHIWXGLOPD-SECBINFHSA-N 1 0 315.399 -0.269 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001567056557 1024491617 /nfs/dbraw/zinc/49/16/17/1024491617.db2.gz WQPSLMRIKNUQSZ-JTQLQIEISA-N 1 0 303.366 -0.256 20 30 DBEDRO C[C@@H](CNC(=O)c1cc(C2CC2)no1)[NH2+]CC(=O)NCC#N ZINC001567058563 1024492146 /nfs/dbraw/zinc/49/21/46/1024492146.db2.gz WFKZJYRUOAXGBC-VIFPVBQESA-N 1 0 305.338 -0.100 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001567060052 1024493431 /nfs/dbraw/zinc/49/34/31/1024493431.db2.gz ZLDLLFXJNGFPQM-ZIAGYGMSSA-N 1 0 309.410 -0.011 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1cncn1C ZINC001567070821 1024501347 /nfs/dbraw/zinc/50/13/47/1024501347.db2.gz DANSVJQKUWWJQW-NEPJUHHUSA-N 1 0 307.398 -0.252 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cn2ccccc2n1 ZINC001567075638 1024505098 /nfs/dbraw/zinc/50/50/98/1024505098.db2.gz DAWTXTODJFLIND-GFCCVEGCSA-N 1 0 313.361 -0.208 20 30 DBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)COCC)C1 ZINC001567085620 1024506966 /nfs/dbraw/zinc/50/69/66/1024506966.db2.gz PPEJMFIKKDGUOQ-AWEZNQCLSA-N 1 0 309.410 -0.009 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC001567085076 1024508555 /nfs/dbraw/zinc/50/85/55/1024508555.db2.gz FSVKGDPUVYAVCO-GFCCVEGCSA-N 1 0 304.350 -0.134 20 30 DBEDRO CCc1nc(CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)cs1 ZINC001567082844 1024508698 /nfs/dbraw/zinc/50/86/98/1024508698.db2.gz XPCOYGKFZJRMDX-SNVBAGLBSA-N 1 0 323.422 -0.018 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC001567086961 1024511604 /nfs/dbraw/zinc/51/16/04/1024511604.db2.gz RSLGUVSTZGGYNX-GJZGRUSLSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC001567086960 1024513505 /nfs/dbraw/zinc/51/35/05/1024513505.db2.gz RSLGUVSTZGGYNX-CABCVRRESA-N 1 0 321.421 -0.009 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001567092907 1024516249 /nfs/dbraw/zinc/51/62/49/1024516249.db2.gz HIKSPXOUXNJGKF-GHMZBOCLSA-N 1 0 320.397 -0.503 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001567094221 1024517147 /nfs/dbraw/zinc/51/71/47/1024517147.db2.gz BRYZXYCFLJYJOI-NSHDSACASA-N 1 0 308.382 -0.318 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001567101945 1024517810 /nfs/dbraw/zinc/51/78/10/1024517810.db2.gz SOERVUPAOWSEFB-LBPRGKRZSA-N 1 0 303.366 -0.718 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001567103797 1024520048 /nfs/dbraw/zinc/52/00/48/1024520048.db2.gz ABKYEFWGZJFZKE-NSHDSACASA-N 1 0 316.365 -0.269 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001567101467 1024521874 /nfs/dbraw/zinc/52/18/74/1024521874.db2.gz KSKIJJQMTDPRAW-AAEUAGOBSA-N 1 0 304.350 -0.455 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCOCC2)C1 ZINC001567104776 1024524216 /nfs/dbraw/zinc/52/42/16/1024524216.db2.gz LEQGAXFXUJDVAD-HNNXBMFYSA-N 1 0 323.437 -0.063 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001567112049 1024526406 /nfs/dbraw/zinc/52/64/06/1024526406.db2.gz RZZRMMBZLZINCR-GFCCVEGCSA-N 1 0 301.350 -0.722 20 30 DBEDRO CC(C)n1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001567105906 1024526995 /nfs/dbraw/zinc/52/69/95/1024526995.db2.gz BJVCDHDJXIYPRX-ZDUSSCGKSA-N 1 0 318.381 -0.092 20 30 DBEDRO C=CCOCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001567117108 1024528133 /nfs/dbraw/zinc/52/81/33/1024528133.db2.gz VXJCWAYSHFDMKK-WDEREUQCSA-N 1 0 312.370 -0.790 20 30 DBEDRO C=CCOCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001567117105 1024528322 /nfs/dbraw/zinc/52/83/22/1024528322.db2.gz VXJCWAYSHFDMKK-GHMZBOCLSA-N 1 0 312.370 -0.790 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001567121360 1024529054 /nfs/dbraw/zinc/52/90/54/1024529054.db2.gz MGKDFZFOAHAFJA-CZUORRHYSA-N 1 0 324.425 -0.223 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001567121268 1024530460 /nfs/dbraw/zinc/53/04/60/1024530460.db2.gz KLTJDSGQXBTEDT-CYBMUJFWSA-N 1 0 322.409 -0.795 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001567116443 1024530859 /nfs/dbraw/zinc/53/08/59/1024530859.db2.gz NPLOKBKPOPJVDT-ZDUSSCGKSA-N 1 0 317.393 -0.850 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001567118719 1024531173 /nfs/dbraw/zinc/53/11/73/1024531173.db2.gz WPTAUXMSKGTRRT-CABCVRRESA-N 1 0 309.410 -0.595 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(CCOC)CC2)C1 ZINC001567126613 1024533278 /nfs/dbraw/zinc/53/32/78/1024533278.db2.gz ADZOHSTXSZHACJ-CQSZACIVSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)C)C1 ZINC001567123043 1024535684 /nfs/dbraw/zinc/53/56/84/1024535684.db2.gz HBDCBZVSNAYRMB-AWEZNQCLSA-N 1 0 309.410 -0.011 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001567123712 1024539103 /nfs/dbraw/zinc/53/91/03/1024539103.db2.gz SOQSRHZLKUWXFR-OLZOCXBDSA-N 1 0 305.378 -0.111 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001567149119 1024545664 /nfs/dbraw/zinc/54/56/64/1024545664.db2.gz ZJXWPQWLZRIAQU-NWDGAFQWSA-N 1 0 320.397 -0.524 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001567145473 1024546676 /nfs/dbraw/zinc/54/66/76/1024546676.db2.gz RUSUCAHWKKPWBH-INIZCTEOSA-N 1 0 323.437 -0.203 20 30 DBEDRO C=CCCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H](C)C(N)=O)C2)nn1 ZINC001567144119 1024548209 /nfs/dbraw/zinc/54/82/09/1024548209.db2.gz UYCPURGWEMJWIF-NEPJUHHUSA-N 1 0 320.397 -0.220 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001567165188 1024552055 /nfs/dbraw/zinc/55/20/55/1024552055.db2.gz SNPKBJMTCQQDDS-MNOVXSKESA-N 1 0 304.354 -0.320 20 30 DBEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001567153197 1024552275 /nfs/dbraw/zinc/55/22/75/1024552275.db2.gz JOLCUOIPKHSPLG-NWDGAFQWSA-N 1 0 301.412 -0.308 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001567164090 1024554334 /nfs/dbraw/zinc/55/43/34/1024554334.db2.gz JTNLZPSYLJQUSY-OLZOCXBDSA-N 1 0 315.439 -0.034 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnns2)C1 ZINC001567158322 1024554592 /nfs/dbraw/zinc/55/45/92/1024554592.db2.gz BAJYPDGCYMWXSA-NXEZZACHSA-N 1 0 322.394 -0.192 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001567166909 1024555859 /nfs/dbraw/zinc/55/58/59/1024555859.db2.gz KGULZFGOWXIYMF-VXGBXAGGSA-N 1 0 322.409 -0.736 20 30 DBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001567175690 1024558490 /nfs/dbraw/zinc/55/84/90/1024558490.db2.gz BILXJEJAEJPIDU-OLZOCXBDSA-N 1 0 305.382 -0.018 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001567177445 1024558657 /nfs/dbraw/zinc/55/86/57/1024558657.db2.gz DHJTUTYFOWLYAU-VXGBXAGGSA-N 1 0 323.397 -0.701 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001567169966 1024559773 /nfs/dbraw/zinc/55/97/73/1024559773.db2.gz SLLPYZMPWRGQLT-GHMZBOCLSA-N 1 0 304.354 -0.815 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001567177444 1024560040 /nfs/dbraw/zinc/56/00/40/1024560040.db2.gz DHJTUTYFOWLYAU-RYUDHWBXSA-N 1 0 323.397 -0.701 20 30 DBEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001567167701 1024560328 /nfs/dbraw/zinc/56/03/28/1024560328.db2.gz QEVLWXUPBBWXMA-VXGBXAGGSA-N 1 0 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QDCQOTCWSDCNTI-ZDUSSCGKSA-N 1 0 317.393 -0.092 20 30 DBEDRO Cc1cc(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)c(C)nn1 ZINC001571389672 1025919949 /nfs/dbraw/zinc/91/99/49/1025919949.db2.gz PZZOFQJACILKNG-NSHDSACASA-N 1 0 318.381 -0.217 20 30 DBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC001571390069 1025926232 /nfs/dbraw/zinc/92/62/32/1025926232.db2.gz YSEBLHJGGDKELF-GFCCVEGCSA-N 1 0 306.366 -0.993 20 30 DBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001571389816 1025927025 /nfs/dbraw/zinc/92/70/25/1025927025.db2.gz SRIPMVWDRZTHTP-KGLIPLIRSA-N 1 0 309.410 -0.059 20 30 DBEDRO COc1ccc(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001571411989 1025938607 /nfs/dbraw/zinc/93/86/07/1025938607.db2.gz PVBDQPAJLKIEPK-JTQLQIEISA-N 1 0 320.353 -0.825 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001571409901 1025940165 /nfs/dbraw/zinc/94/01/65/1025940165.db2.gz XNWBRADQMOXKMU-RYUDHWBXSA-N 1 0 324.425 -0.525 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1[nH]c(C)nc1C ZINC001571405930 1025942823 /nfs/dbraw/zinc/94/28/23/1025942823.db2.gz QOODIEULESARDF-SNVBAGLBSA-N 1 0 305.382 -0.174 20 30 DBEDRO C=CCn1cc(C(=O)N(C)C[C@H](C)[NH2+]CCn2cncn2)nn1 ZINC001571408348 1025944014 /nfs/dbraw/zinc/94/40/14/1025944014.db2.gz PPLGRJIOGKMXRL-LBPRGKRZSA-N 1 0 318.385 -0.194 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001571409814 1025945343 /nfs/dbraw/zinc/94/53/43/1025945343.db2.gz VSGOHVQTYDMTFL-WDEREUQCSA-N 1 0 306.370 -0.997 20 30 DBEDRO CCn1cnc(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC001571413689 1025948118 /nfs/dbraw/zinc/94/81/18/1025948118.db2.gz YWONRFLZALHDEY-LLVKDONJSA-N 1 0 306.370 -0.407 20 30 DBEDRO CC(C)(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001571422664 1025955075 /nfs/dbraw/zinc/95/50/75/1025955075.db2.gz DVGBIUWINUDMKE-SNVBAGLBSA-N 1 0 316.427 -0.775 20 30 DBEDRO N#CCSCC(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001571423022 1025959961 /nfs/dbraw/zinc/95/99/61/1025959961.db2.gz LDFWXMHVGKYNEK-VIFPVBQESA-N 1 0 300.409 -0.033 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccnc1 ZINC001571421637 1025960617 /nfs/dbraw/zinc/96/06/17/1025960617.db2.gz KUDXAVACIKAONF-WCQYABFASA-N 1 0 306.366 -0.547 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCC(F)(F)F ZINC001571426292 1025965143 /nfs/dbraw/zinc/96/51/43/1025965143.db2.gz UPXKPBBQOLVPLK-UWVGGRQHSA-N 1 0 323.315 -0.467 20 30 DBEDRO C=CCCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001571424660 1025965373 /nfs/dbraw/zinc/96/53/73/1025965373.db2.gz OTDSHKRHXWCGKH-STQMWFEESA-N 1 0 318.439 -0.156 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1C(C)(C)C1(C)C ZINC001571425733 1025965852 /nfs/dbraw/zinc/96/58/52/1025965852.db2.gz JWUZNYGQSXYRTM-LLVKDONJSA-N 1 0 309.410 -0.515 20 30 DBEDRO Cn1nncc1C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001571427469 1025970283 /nfs/dbraw/zinc/97/02/83/1025970283.db2.gz QBLGJYVGNYZYTD-AWEZNQCLSA-N 1 0 313.361 -0.453 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C(F)=C1CCCC1 ZINC001571427001 1025973672 /nfs/dbraw/zinc/97/36/72/1025973672.db2.gz HLBWSCNFQWDMOP-LLVKDONJSA-N 1 0 312.345 -0.510 20 30 DBEDRO C[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(=O)NC1CCCC1 ZINC001571428689 1025975894 /nfs/dbraw/zinc/97/58/94/1025975894.db2.gz NWPRBSYJKHFVPZ-DOMZBBRYSA-N 1 0 321.421 -0.086 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C2=CCOCC2)C1=O ZINC001571427087 1025977070 /nfs/dbraw/zinc/97/70/70/1025977070.db2.gz JMWQZYGTPQUFOR-KBPBESRZSA-N 1 0 323.393 -0.813 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc2occc2[nH]1 ZINC001571430741 1025980202 /nfs/dbraw/zinc/98/02/02/1025980202.db2.gz FVICANDOJWOWSZ-JTQLQIEISA-N 1 0 318.333 -0.809 20 30 DBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1coc(S(C)(=O)=O)c1 ZINC001571429498 1025981297 /nfs/dbraw/zinc/98/12/97/1025981297.db2.gz FOPYFPHKDYZLPZ-NSHDSACASA-N 1 0 316.379 -0.061 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1COc2ccccc2O1 ZINC001571431172 1025981518 /nfs/dbraw/zinc/98/15/18/1025981518.db2.gz OVDSUBLPUGHNFY-STQMWFEESA-N 1 0 304.346 -0.084 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(OC)ns1 ZINC001571430284 1025982504 /nfs/dbraw/zinc/98/25/04/1025982504.db2.gz VMZLBEMARBCQFY-SNVBAGLBSA-N 1 0 313.379 -0.518 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)COc1c(C)occc1=O ZINC001571434892 1025994403 /nfs/dbraw/zinc/99/44/03/1025994403.db2.gz QZGDHMRIPBYRQI-LBPRGKRZSA-N 1 0 308.334 -0.583 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001571435609 1025994450 /nfs/dbraw/zinc/99/44/50/1025994450.db2.gz HEJJKRCFCPTGFC-CYBMUJFWSA-N 1 0 315.377 -0.020 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1[nH]c(C)cc1C ZINC001571433689 1025996313 /nfs/dbraw/zinc/99/63/13/1025996313.db2.gz PGMBRVHYVJYKCN-GFCCVEGCSA-N 1 0 308.382 -0.386 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001571433514 1025996707 /nfs/dbraw/zinc/99/67/07/1025996707.db2.gz LHXUQXBRFZAABA-VIFPVBQESA-N 1 0 317.367 -0.817 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ncnc2[nH]ccc21 ZINC001571433398 1025996875 /nfs/dbraw/zinc/99/68/75/1025996875.db2.gz JBHWWAGALNPYAY-NSHDSACASA-N 1 0 317.349 -0.760 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1csc(NC(C)=O)n1 ZINC001571434058 1025998392 /nfs/dbraw/zinc/99/83/92/1025998392.db2.gz XEXXUDXXDZYLFO-SNVBAGLBSA-N 1 0 310.379 -0.195 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnn2cccnc12 ZINC001571437362 1026000710 /nfs/dbraw/zinc/00/07/10/1026000710.db2.gz RJZLMXGKSVVNQF-LBPRGKRZSA-N 1 0 317.349 -0.941 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C(F)F)CCC1 ZINC001571438372 1026004496 /nfs/dbraw/zinc/00/44/96/1026004496.db2.gz MHYRHLURIBWJPG-SNVBAGLBSA-N 1 0 317.336 -0.762 20 30 DBEDRO COC[C@H](OC)C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001571439477 1026005327 /nfs/dbraw/zinc/00/53/27/1026005327.db2.gz HRNKHMWWJYIECD-CVEARBPZSA-N 1 0 320.389 -0.234 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001571440550 1026007588 /nfs/dbraw/zinc/00/75/88/1026007588.db2.gz DOJCCJXJQAONNK-NSHDSACASA-N 1 0 306.366 -0.255 20 30 DBEDRO CC#CCCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001571438576 1026008634 /nfs/dbraw/zinc/00/86/34/1026008634.db2.gz POCPJUOYLKLQOS-NWDGAFQWSA-N 1 0 309.366 -0.948 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1cccc(C)c1 ZINC001571439346 1026009950 /nfs/dbraw/zinc/00/99/50/1026009950.db2.gz FRQRZROLBIKFJP-OAHLLOKOSA-N 1 0 317.389 -0.646 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C)nc1OC ZINC001571441564 1026010446 /nfs/dbraw/zinc/01/04/46/1026010446.db2.gz ASTVRAJKVFRMGM-ZDUSSCGKSA-N 1 0 321.377 -0.271 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1ccnc1 ZINC001571442587 1026010596 /nfs/dbraw/zinc/01/05/96/1026010596.db2.gz XCLJTLMKNIVOMV-KBPBESRZSA-N 1 0 308.382 -0.449 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cncc(N2CCCC2)n1 ZINC001571442120 1026012300 /nfs/dbraw/zinc/01/23/00/1026012300.db2.gz NBZZPJOKVVCRNQ-LBPRGKRZSA-N 1 0 303.366 -0.610 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2nc(C)c[nH]2)C1=O ZINC001571441778 1026013403 /nfs/dbraw/zinc/01/34/03/1026013403.db2.gz GCESOUXPNXKHNU-VXGBXAGGSA-N 1 0 321.381 -0.815 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(N2CCCC2)nn1 ZINC001571444445 1026015798 /nfs/dbraw/zinc/01/57/98/1026015798.db2.gz KWGJQLPPABERIK-CYBMUJFWSA-N 1 0 317.393 -0.220 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)nc1 ZINC001571445195 1026016477 /nfs/dbraw/zinc/01/64/77/1026016477.db2.gz COWFDDVUVGCTTF-CYBMUJFWSA-N 1 0 314.349 -0.965 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1ccccc1F ZINC001571446192 1026017059 /nfs/dbraw/zinc/01/70/59/1026017059.db2.gz ZDIDFYXJSIBDKN-ZDUSSCGKSA-N 1 0 321.352 -0.816 20 30 DBEDRO COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CC#Cc1ccccc1 ZINC001571447491 1026019633 /nfs/dbraw/zinc/01/96/33/1026019633.db2.gz CAUUCFIEFZMQPM-CVEARBPZSA-N 1 0 320.389 -0.498 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cnc(CC)s1 ZINC001571447730 1026021028 /nfs/dbraw/zinc/02/10/28/1026021028.db2.gz HOOGMIBXCSCQOQ-SNVBAGLBSA-N 1 0 324.406 -0.865 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001571448582 1026021776 /nfs/dbraw/zinc/02/17/76/1026021776.db2.gz YDSZNWCONAUDTK-ZDUSSCGKSA-N 1 0 316.365 -0.081 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC2)[C@@H]1C ZINC001571449515 1026023407 /nfs/dbraw/zinc/02/34/07/1026023407.db2.gz ONUBJFFAVBZRKB-PWSUYJOCSA-N 1 0 308.382 -0.013 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2=COCCO2)[C@H]1C ZINC001571449380 1026023489 /nfs/dbraw/zinc/02/34/89/1026023489.db2.gz MJPXKSFWZBAYKB-NWDGAFQWSA-N 1 0 309.366 -0.244 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnn(C)c2)[C@@H]1C ZINC001571453125 1026024038 /nfs/dbraw/zinc/02/40/38/1026024038.db2.gz YHSHBJAKLKVZGA-OCCSQVGLSA-N 1 0 317.393 -0.709 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CSCC#N ZINC001571450919 1026024792 /nfs/dbraw/zinc/02/47/92/1026024792.db2.gz LKSXPTMERATESQ-GHMZBOCLSA-N 1 0 309.395 -0.538 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncoc2C)[C@H]1C ZINC001571450743 1026024929 /nfs/dbraw/zinc/02/49/29/1026024929.db2.gz IZQNMWBPUOCVBV-CMPLNLGQSA-N 1 0 304.350 -0.075 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC001571450781 1026025739 /nfs/dbraw/zinc/02/57/39/1026025739.db2.gz JQCZEGGYFRYGSP-QWHCGFSZSA-N 1 0 302.378 -0.033 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cc(C)on2)C1 ZINC001571473222 1026032757 /nfs/dbraw/zinc/03/27/57/1026032757.db2.gz NPKOBJVOMCDJLK-BXUZGUMPSA-N 1 0 318.377 -0.146 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(=O)NCC(F)F)C1 ZINC001571480404 1026038782 /nfs/dbraw/zinc/03/87/82/1026038782.db2.gz CNOHDVRIPSFAMG-QWRGUYRKSA-N 1 0 317.336 -0.404 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COCC(F)F)C1 ZINC001571483358 1026040826 /nfs/dbraw/zinc/04/08/26/1026040826.db2.gz QCLLYWDSCLKXLW-GHMZBOCLSA-N 1 0 317.336 -0.404 20 30 DBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCCC(N)=O ZINC001571488499 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/nfs/dbraw/zinc/79/25/73/1026792573.db2.gz BSZRHVLPXGFOMG-GFCCVEGCSA-N 1 0 316.423 -0.302 20 30 DBEDRO C#CC[C@@]1(C(=O)N2CC3(C2)CC(=O)Nc2nccn23)CCC[NH2+]1 ZINC001574504844 1026792964 /nfs/dbraw/zinc/79/29/64/1026792964.db2.gz OGAGSWICOJOQCP-INIZCTEOSA-N 1 0 313.361 -0.092 20 30 DBEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001574576264 1026795886 /nfs/dbraw/zinc/79/58/86/1026795886.db2.gz PJGUYXRMYOYRAO-SYQHCUMBSA-N 1 0 322.409 -0.028 20 30 DBEDRO C#CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCC[NH2+]1 ZINC001574517914 1026796286 /nfs/dbraw/zinc/79/62/86/1026796286.db2.gz RRAAZHUTPVDPDN-IJEWVQPXSA-N 1 0 303.362 -0.262 20 30 DBEDRO C#CCN(C)c1nnc([C@H]2COCCN2)n1C[C@H](C)[NH+](C)C ZINC001574615041 1026797119 /nfs/dbraw/zinc/79/71/19/1026797119.db2.gz RLIIKTCFIZIEMQ-QWHCGFSZSA-N 1 0 306.414 -0.042 20 30 DBEDRO C#CCN(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@]1(O)CCOC1 ZINC001574614650 1026797437 /nfs/dbraw/zinc/79/74/37/1026797437.db2.gz HIZPYMXAJUIYFG-ZOWXZIJZSA-N 1 0 305.382 -0.296 20 30 DBEDRO C#CCN(C)c1nnc([C@@H]2COCCN2)n1C[C@H](C)[NH+](C)C ZINC001574615042 1026797778 /nfs/dbraw/zinc/79/77/78/1026797778.db2.gz RLIIKTCFIZIEMQ-STQMWFEESA-N 1 0 306.414 -0.042 20 30 DBEDRO C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1Cc1cnnn1C ZINC001574615259 1026798790 /nfs/dbraw/zinc/79/87/90/1026798790.db2.gz ZGNSXJBTWVALBP-UHFFFAOYSA-N 1 0 314.397 -0.009 20 30 DBEDRO C#CCN(CC)c1nnc(-c2cnccn2)n1CC1([NH3+])COC1 ZINC001574659872 1026800115 /nfs/dbraw/zinc/80/01/15/1026800115.db2.gz FZTSOTFHJXVUDY-UHFFFAOYSA-N 1 0 313.365 -0.078 20 30 DBEDRO C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC001574707391 1026801989 /nfs/dbraw/zinc/80/19/89/1026801989.db2.gz RDUFPCOFHGQUDT-STQMWFEESA-N 1 0 306.410 -0.747 20 30 DBEDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337082154 529865887 /nfs/dbraw/zinc/86/58/87/529865887.db2.gz ZCYZOVMVDCJKEH-ZDUSSCGKSA-N 1 0 316.427 -0.271 20 30 DBEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337058687 529908243 /nfs/dbraw/zinc/90/82/43/529908243.db2.gz DZSJBHKLFUVUPW-GFCCVEGCSA-N 1 0 302.400 -0.517 20 30 DBEDRO COC(=O)CCNC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534833976 412511701 /nfs/dbraw/zinc/51/17/01/412511701.db2.gz UOIQPJLQMHYJIC-UHFFFAOYSA-N 1 0 322.369 -0.593 20 30 DBEDRO CNC(=[NH2+])NCc1cccc(S(=O)(=O)NCCOC)c1 ZINC000118161353 530039574 /nfs/dbraw/zinc/03/95/74/530039574.db2.gz TZJIRYOHTXVSPB-UHFFFAOYSA-N 1 0 300.384 -0.355 20 30 DBEDRO C[C@@H]1C[NH+](CCCNC(=O)Cn2cnc(C#N)n2)C[C@@H](C)O1 ZINC000027723651 138094416 /nfs/dbraw/zinc/09/44/16/138094416.db2.gz KYEGJNKPMUBPPN-VXGBXAGGSA-N 1 0 306.370 -0.235 20 30 DBEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000276260561 283182862 /nfs/dbraw/zinc/18/28/62/283182862.db2.gz BCRBXAXHQXZVTH-WFASDCNBSA-N 1 0 305.334 -0.780 20 30 DBEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC1CC1 ZINC000161518138 236966759 /nfs/dbraw/zinc/96/67/59/236966759.db2.gz JJRXSPWRSIVACK-UHFFFAOYSA-N 1 0 315.377 -0.175 20 30 DBEDRO COCCNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000178767230 236988427 /nfs/dbraw/zinc/98/84/27/236988427.db2.gz LKANGYGXHNRFLA-UHFFFAOYSA-N 1 0 320.440 -0.114 20 30 DBEDRO N#C[C@@H]1CN(S(=O)(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000336893971 237029213 /nfs/dbraw/zinc/02/92/13/237029213.db2.gz LNTFUXINXPCGAT-GFCCVEGCSA-N 1 0 302.400 -0.469 20 30 DBEDRO COCCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N(C)C ZINC000264088796 237223170 /nfs/dbraw/zinc/22/31/70/237223170.db2.gz KLLDIKWVRVZZOJ-UHFFFAOYSA-N 1 0 314.411 -0.012 20 30 DBEDRO CN(C)C(=O)CNC(N[C@H]1CCc2ncnn2C1)=[NH+]C1CC1 ZINC000262339257 237196413 /nfs/dbraw/zinc/19/64/13/237196413.db2.gz WQWXIHYZRCILIL-NSHDSACASA-N 1 0 305.386 -0.621 20 30 DBEDRO N#CC1(CS(=O)(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000361563148 237290186 /nfs/dbraw/zinc/29/01/86/237290186.db2.gz LMGOFNUKXVMABG-UHFFFAOYSA-N 1 0 301.412 -0.086 20 30 DBEDRO [O-]C(=[NH+]CCn1cncn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000329913846 237272990 /nfs/dbraw/zinc/27/29/90/237272990.db2.gz XOOAZGBPWXVVHB-UHFFFAOYSA-N 1 0 308.386 -0.011 20 30 DBEDRO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374418503 237324630 /nfs/dbraw/zinc/32/46/30/237324630.db2.gz XPIIHXXOOQOLCH-FRRDWIJNSA-N 1 0 316.427 -0.225 20 30 DBEDRO Cn1c(NC[C@@H]2CCC[N@@H+]2CCCO)c(C#N)c(=O)n(C)c1=O ZINC000450592289 238363541 /nfs/dbraw/zinc/36/35/41/238363541.db2.gz HDNWBIRFKSJULF-NSHDSACASA-N 1 0 321.381 -0.786 20 30 DBEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000565542413 284098991 /nfs/dbraw/zinc/09/89/91/284098991.db2.gz ZCFGDAGSDFCUEO-LLVKDONJSA-N 1 0 312.370 -0.039 20 30 DBEDRO C#CC[N@@H+](C)CCCNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000297366749 374394917 /nfs/dbraw/zinc/39/49/17/374394917.db2.gz IUGQXQNKMAKSFI-UHFFFAOYSA-N 1 0 323.441 -0.595 20 30 DBEDRO COCCOCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000578797909 374464381 /nfs/dbraw/zinc/46/43/81/374464381.db2.gz BNDJFFNARQGGAK-UHFFFAOYSA-N 1 0 313.379 -0.020 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC2CC[NH+](C)CC2)C1=O ZINC000299470874 374520356 /nfs/dbraw/zinc/52/03/56/374520356.db2.gz AGFAXGXTHTUFLE-UHFFFAOYSA-N 1 0 308.338 -0.826 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)N2CCN(CC(=O)NC)CC2)CC1 ZINC000299172051 374498868 /nfs/dbraw/zinc/49/88/68/374498868.db2.gz YGESNAPPSRSHLB-UHFFFAOYSA-N 1 0 306.410 -0.778 20 30 DBEDRO COCC[N@@H+]1CCC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000609269373 374499854 /nfs/dbraw/zinc/49/98/54/374499854.db2.gz ZUBXUZXWQUAJGT-NSHDSACASA-N 1 0 321.381 -0.522 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[N@H+]2CC)C1=O ZINC000299613252 374534209 /nfs/dbraw/zinc/53/42/09/374534209.db2.gz ZCJFBFVIEGZRED-NSHDSACASA-N 1 0 322.365 -0.436 20 30 DBEDRO C=CCSCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000285522988 335026753 /nfs/dbraw/zinc/02/67/53/335026753.db2.gz AIVOUWMXGJPQNX-LBPRGKRZSA-N 1 0 314.455 -0.616 20 30 DBEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000222120723 374623119 /nfs/dbraw/zinc/62/31/19/374623119.db2.gz YNCZWEZSEQKQRX-CABCVRRESA-N 1 0 308.426 -0.007 20 30 DBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000261752493 374726274 /nfs/dbraw/zinc/72/62/74/374726274.db2.gz PASOWHNGRAGVLD-AWEZNQCLSA-N 1 0 320.437 -0.178 20 30 DBEDRO CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600746295 374849264 /nfs/dbraw/zinc/84/92/64/374849264.db2.gz WKGZCVXKZMQEND-CHWSQXEVSA-N 1 0 314.382 -0.039 20 30 DBEDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340036895 374977656 /nfs/dbraw/zinc/97/76/56/374977656.db2.gz APJRTPSQUTXJDR-UHFFFAOYSA-N 1 0 305.338 -0.414 20 30 DBEDRO C#CCN1CCN(C(=O)C[NH+]2CCC3(CC2)OCCO3)CC1 ZINC000081648491 375156172 /nfs/dbraw/zinc/15/61/72/375156172.db2.gz ZULDYSCFFNZMKO-UHFFFAOYSA-N 1 0 307.394 -0.397 20 30 DBEDRO CS(=O)(=O)NCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083030819 375157834 /nfs/dbraw/zinc/15/78/34/375157834.db2.gz PAIVKMHBVLIGSR-NSHDSACASA-N 1 0 312.395 -0.036 20 30 DBEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245108 375158653 /nfs/dbraw/zinc/15/86/53/375158653.db2.gz OZQVFHOTSJIOKK-KGLIPLIRSA-N 1 0 312.414 -0.628 20 30 DBEDRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000092806455 375177046 /nfs/dbraw/zinc/17/70/46/375177046.db2.gz FBSORADEKZMCDD-LLVKDONJSA-N 1 0 302.400 -0.628 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)C1=O ZINC000262732234 375124660 /nfs/dbraw/zinc/12/46/60/375124660.db2.gz BTHNHSUVGGAJOA-NXEZZACHSA-N 1 0 308.338 -0.828 20 30 DBEDRO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585682050 375242176 /nfs/dbraw/zinc/24/21/76/375242176.db2.gz MUMGRIFFKSTDSX-UHFFFAOYSA-N 1 0 309.414 -0.451 20 30 DBEDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cncc(C#N)c1 ZINC000289985537 375190219 /nfs/dbraw/zinc/19/02/19/375190219.db2.gz XWURNJVZJDOKRC-LBPRGKRZSA-N 1 0 323.422 -0.133 20 30 DBEDRO COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589926645 375464533 /nfs/dbraw/zinc/46/45/33/375464533.db2.gz YAAPIRWYHZAQPF-CHWSQXEVSA-N 1 0 316.427 -0.271 20 30 DBEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000588127336 375444082 /nfs/dbraw/zinc/44/40/82/375444082.db2.gz CSRRXOYFVKJSJY-CQSZACIVSA-N 1 0 321.425 -0.309 20 30 DBEDRO N#Cc1ncn(CCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000588142374 375444257 /nfs/dbraw/zinc/44/42/57/375444257.db2.gz JMUXSUXXCSOMNM-GFCCVEGCSA-N 1 0 303.370 -0.067 20 30 DBEDRO N#Cc1ncn(CCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000588142375 375444565 /nfs/dbraw/zinc/44/45/65/375444565.db2.gz JMUXSUXXCSOMNM-LBPRGKRZSA-N 1 0 303.370 -0.067 20 30 DBEDRO C[NH+](C)CCn1cc(NC(=O)NCCn2cnc(C#N)n2)cn1 ZINC000588257102 375448299 /nfs/dbraw/zinc/44/82/99/375448299.db2.gz WCSMVYFQQZKSRR-UHFFFAOYSA-N 1 0 317.357 -0.270 20 30 DBEDRO COCC[N@@H+]1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000264607445 375537373 /nfs/dbraw/zinc/53/73/73/375537373.db2.gz ORXOZIOVLHJQCZ-JTQLQIEISA-N 1 0 307.354 -0.912 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000286357548 335033358 /nfs/dbraw/zinc/03/33/58/335033358.db2.gz BVOGQGODFSAMMM-NSHDSACASA-N 1 0 308.382 -0.900 20 30 DBEDRO C[NH+]1CCN(CCCS(=O)(=O)N2CC(C)(C#N)C2)CC1 ZINC000601407998 375602318 /nfs/dbraw/zinc/60/23/18/375602318.db2.gz IHMWETSZBZWBFI-UHFFFAOYSA-N 1 0 300.428 -0.201 20 30 DBEDRO CC[N@@H+]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)C1 ZINC000601439936 375609917 /nfs/dbraw/zinc/60/99/17/375609917.db2.gz KHRSJRFRDXYLQD-QWHCGFSZSA-N 1 0 316.427 -0.128 20 30 DBEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1=O ZINC000286459919 335034959 /nfs/dbraw/zinc/03/49/59/335034959.db2.gz JSRMEJYJALLWQV-CHWSQXEVSA-N 1 0 324.425 -0.312 20 30 DBEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@](O)(CC(=O)NC)C1 ZINC000591645473 375730196 /nfs/dbraw/zinc/73/01/96/375730196.db2.gz JLSVLASWUBOYNA-HNNXBMFYSA-N 1 0 310.398 -0.288 20 30 DBEDRO Cn1nnnc1CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000591757671 375744414 /nfs/dbraw/zinc/74/44/14/375744414.db2.gz XVANIUYYDRNGIH-LBPRGKRZSA-N 1 0 302.338 -0.346 20 30 DBEDRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591729174 375744748 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CC[NH+]1CCN(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000330373383 378202919 /nfs/dbraw/zinc/20/29/19/378202919.db2.gz BGKPSVVUMDVDNL-ZDUSSCGKSA-N 1 0 317.459 -0.450 20 30 DBEDRO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000330393607 378208083 /nfs/dbraw/zinc/20/80/83/378208083.db2.gz QMCPGCKRJISTLT-OLZOCXBDSA-N 1 0 317.459 -0.452 20 30 DBEDRO C[C@@H](C#N)S(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000416487443 378162930 /nfs/dbraw/zinc/16/29/30/378162930.db2.gz JMEWQSVTQWVEBY-LBPRGKRZSA-N 1 0 316.427 -0.190 20 30 DBEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)CCCC#N)CC1=O ZINC000425316764 378172167 /nfs/dbraw/zinc/17/21/67/378172167.db2.gz MBYLUSQODSZRBE-ZDUSSCGKSA-N 1 0 310.398 -0.024 20 30 DBEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000328648231 378175812 /nfs/dbraw/zinc/17/58/12/378175812.db2.gz AGADKRXMNGUOQJ-ZDUSSCGKSA-N 1 0 309.414 -0.547 20 30 DBEDRO CN1CCO[C@@H](CNC(=O)N2CCC([N@H+](C)CCO)CC2)C1 ZINC000331134913 378284033 /nfs/dbraw/zinc/28/40/33/378284033.db2.gz 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000518940333 378419279 /nfs/dbraw/zinc/41/92/79/378419279.db2.gz DVEKDSCPNFOTDI-TZMCWYRMSA-N 1 0 310.398 -0.301 20 30 DBEDRO COCC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329320904 378475003 /nfs/dbraw/zinc/47/50/03/378475003.db2.gz UIAULHFAHDWBES-GFCCVEGCSA-N 1 0 310.398 -0.072 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CC[N@H+](C)C2)C1=O ZINC000617556811 378507018 /nfs/dbraw/zinc/50/70/18/378507018.db2.gz YHEJOPLGKPZQSP-NSHDSACASA-N 1 0 322.365 -0.484 20 30 DBEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000268138973 378605118 /nfs/dbraw/zinc/60/51/18/378605118.db2.gz JWVXOVRNZWVKDZ-CABZTGNLSA-N 1 0 303.366 -0.150 20 30 DBEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)NC(N)=O ZINC000268252759 378616149 /nfs/dbraw/zinc/61/61/49/378616149.db2.gz CHQWLBKIORPGJH-SNVBAGLBSA-N 1 0 317.353 -0.556 20 30 DBEDRO C=C(C)CN(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358016692 378993379 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C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2CCC)C1=O ZINC000359218913 379135392 /nfs/dbraw/zinc/13/53/92/379135392.db2.gz HLTGTIZPUDKWDU-NSHDSACASA-N 1 0 322.365 -0.436 20 30 DBEDRO N#CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604287 379816663 /nfs/dbraw/zinc/81/66/63/379816663.db2.gz LVKFDXYLHAVKOD-QLFBSQMISA-N 1 0 306.362 -0.080 20 30 DBEDRO Cn1c(N[C@@H]2CCC[N@H+](CCCO)C2)c(C#N)c(=O)n(C)c1=O ZINC000295047123 379924654 /nfs/dbraw/zinc/92/46/54/379924654.db2.gz XGDOZVQOHFUGCD-LLVKDONJSA-N 1 0 321.381 -0.786 20 30 DBEDRO Cc1onc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1C#N ZINC000354485662 380091691 /nfs/dbraw/zinc/09/16/91/380091691.db2.gz GBQWNPPNLNZJDK-CYBMUJFWSA-N 1 0 319.365 -0.147 20 30 DBEDRO CN(CCC#N)S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262028261 380166009 /nfs/dbraw/zinc/16/60/09/380166009.db2.gz NSFBWPDUBHRVQW-NSHDSACASA-N 1 0 312.399 -0.543 20 30 DBEDRO C=CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCS(=O)(=O)C1 ZINC000261848534 380157805 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424186448 380369761 /nfs/dbraw/zinc/36/97/61/380369761.db2.gz HLFBYXSTIZKIDI-QJPTWQEYSA-N 1 0 316.427 -0.016 20 30 DBEDRO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424087525 380354543 /nfs/dbraw/zinc/35/45/43/380354543.db2.gz ICHSZRPJTDGFOI-VXGBXAGGSA-N 1 0 316.427 -0.062 20 30 DBEDRO C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)nn1 ZINC000424547067 380423133 /nfs/dbraw/zinc/42/31/33/380423133.db2.gz OEVCHTQPTIVFFK-MNOVXSKESA-N 1 0 306.370 -0.711 20 30 DBEDRO C=CCn1cc(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)nn1 ZINC000424535986 380418847 /nfs/dbraw/zinc/41/88/47/380418847.db2.gz AULGTTNCVMWZTI-OAHLLOKOSA-N 1 0 320.397 -0.414 20 30 DBEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H](C[NH3+])CCCC)nn1 ZINC000424546722 380422386 /nfs/dbraw/zinc/42/23/86/380422386.db2.gz NOWZPWHIKOAVLT-NSHDSACASA-N 1 0 308.386 -0.286 20 30 DBEDRO C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nn1 ZINC000424548957 380422486 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C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001317243426 806111449 /nfs/dbraw/zinc/11/14/49/806111449.db2.gz XSYKAKKPGNSDQO-SNVBAGLBSA-N 1 0 307.354 -0.505 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001317243425 806111756 /nfs/dbraw/zinc/11/17/56/806111756.db2.gz XSYKAKKPGNSDQO-JTQLQIEISA-N 1 0 307.354 -0.505 20 30 DBEDRO C[C@@H](CNC(=O)c1cnc2[nH]ccc2c1)[NH2+]CC(=O)NCC#N ZINC001317246143 806112424 /nfs/dbraw/zinc/11/24/24/806112424.db2.gz GBURXPZISGDAML-JTQLQIEISA-N 1 0 314.349 -0.138 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ncc(F)cc1F ZINC001317244333 806112471 /nfs/dbraw/zinc/11/24/71/806112471.db2.gz ADXVWNSECMTTAT-VIFPVBQESA-N 1 0 310.304 -0.183 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001317246085 806112520 /nfs/dbraw/zinc/11/25/20/806112520.db2.gz FMGYYGUCFLKZLM-UWVGGRQHSA-N 1 0 305.338 -0.972 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1nc(C)cc1C ZINC001317251210 806113546 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DBEDRO C[C@H](CNC(=O)c1ccnc(N(C)C)c1)[NH2+]CC(=O)NCC#N ZINC001317268881 806119361 /nfs/dbraw/zinc/11/93/61/806119361.db2.gz AIWPTJRPYVNWBZ-LLVKDONJSA-N 1 0 318.381 -0.505 20 30 DBEDRO C=CCCn1cc(C(=O)NC[C@@H](C)[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001317271644 806119854 /nfs/dbraw/zinc/11/98/54/806119854.db2.gz SJRNTODLBLOLQK-NEPJUHHUSA-N 1 0 320.397 -0.207 20 30 DBEDRO C=CCCn1cc(C(=O)NC[C@H](C)[NH2+][C@@H]2CCN(C)C2=O)nn1 ZINC001317271646 806119947 /nfs/dbraw/zinc/11/99/47/806119947.db2.gz SJRNTODLBLOLQK-NWDGAFQWSA-N 1 0 320.397 -0.207 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccc(C)nc1OC ZINC001317269561 806120030 /nfs/dbraw/zinc/12/00/30/806120030.db2.gz IXWXEIMDZYGMNU-LBPRGKRZSA-N 1 0 318.377 -0.144 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ccn(CC)n1 ZINC001317273267 806120298 /nfs/dbraw/zinc/12/02/98/806120298.db2.gz YTDHLIVJLNPOEP-RYUDHWBXSA-N 1 0 305.382 -0.251 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001317272608 806120409 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C=CC[N@H+]1CC[C@H](N(CC)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001318493026 806306723 /nfs/dbraw/zinc/30/67/23/806306723.db2.gz VQACJUKZCOOEGU-LBPRGKRZSA-N 1 0 308.382 -0.011 20 30 DBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001318559815 806311377 /nfs/dbraw/zinc/31/13/77/806311377.db2.gz YUIGHTZWFBFBFU-YPMHNXCESA-N 1 0 303.366 -0.127 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1ccnn1CC ZINC001318513933 806308419 /nfs/dbraw/zinc/30/84/19/806308419.db2.gz HJUGPJKUSCFKCT-GFCCVEGCSA-N 1 0 305.382 -0.250 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnn(C)c1CC ZINC001318543862 806310587 /nfs/dbraw/zinc/31/05/87/806310587.db2.gz YNGFFJUUZRMRBT-GFCCVEGCSA-N 1 0 319.409 -0.170 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1c(C)cnn1C ZINC001318561462 806312824 /nfs/dbraw/zinc/31/28/24/806312824.db2.gz IHEIUQLLAVFWGH-STQMWFEESA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001318569643 806313325 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MQRNCBMNZSRUBH-UHFFFAOYSA-N 1 0 307.394 -0.209 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn(C)nc2CC)CC1 ZINC001323469876 806877858 /nfs/dbraw/zinc/87/78/58/806877858.db2.gz YTZMDEIOQDEVMU-UHFFFAOYSA-N 1 0 317.393 -0.416 20 30 DBEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)c2cnc(C)n2C)CC1 ZINC001323524967 806883711 /nfs/dbraw/zinc/88/37/11/806883711.db2.gz LACMUYJJWMHUOL-UHFFFAOYSA-N 1 0 305.382 -0.117 20 30 DBEDRO C=CCn1cc(C(=O)NCC2([NH2+][C@H](C)C(=O)NC)CC2)nn1 ZINC001323565480 806888520 /nfs/dbraw/zinc/88/85/20/806888520.db2.gz AWZJUOCMJWWKCB-SNVBAGLBSA-N 1 0 306.370 -0.549 20 30 DBEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532684 806892413 /nfs/dbraw/zinc/89/24/13/806892413.db2.gz VNWYQIZTGQWGPK-YMEQNVIZSA-N 1 0 320.393 -0.024 20 30 DBEDRO C#CCN1CCN(C(=O)CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000879574318 806892602 /nfs/dbraw/zinc/89/26/02/806892602.db2.gz ZHNVKRCHNLKUKA-CVEARBPZSA-N 1 0 304.438 -0.210 20 30 DBEDRO C#CCOCCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC001323699844 806905396 /nfs/dbraw/zinc/90/53/96/806905396.db2.gz YWOYYHPQOLZGLE-AWEZNQCLSA-N 1 0 309.410 -0.009 20 30 DBEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001323698446 806905425 /nfs/dbraw/zinc/90/54/25/806905425.db2.gz CQEZJBGBHSLRRW-AWEZNQCLSA-N 1 0 309.410 -0.011 20 30 DBEDRO N#CCC1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001323751986 806911521 /nfs/dbraw/zinc/91/15/21/806911521.db2.gz NQZLLMWXJGDQQE-QWHCGFSZSA-N 1 0 320.393 -0.224 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880251197 806919473 /nfs/dbraw/zinc/91/94/73/806919473.db2.gz JSHVKPMYGICSCO-CQSZACIVSA-N 1 0 320.437 -0.070 20 30 DBEDRO C#CCN1CCN(C(=O)C[NH+]2CCC(O)(CC#C)CC2)CC1 ZINC000880480263 806925147 /nfs/dbraw/zinc/92/51/47/806925147.db2.gz MGFQDGROBDHSKB-UHFFFAOYSA-N 1 0 303.406 -0.386 20 30 DBEDRO C=CCNC(=O)CN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001323931325 806929605 /nfs/dbraw/zinc/92/96/05/806929605.db2.gz OIPQOZCUAZTGGD-TZMCWYRMSA-N 1 0 308.426 -0.229 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2=COCCO2)[C@H](C)C1 ZINC001324042225 806939925 /nfs/dbraw/zinc/93/99/25/806939925.db2.gz LUPCIICRUXROAD-OLZOCXBDSA-N 1 0 321.377 -0.407 20 30 DBEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cc1cc[nH]n1 ZINC001324052046 806940683 /nfs/dbraw/zinc/94/06/83/806940683.db2.gz OIUNEYZMRPDCRW-VXGBXAGGSA-N 1 0 318.381 -0.439 20 30 DBEDRO CC#CCNCc1cn(CC(=O)NC2CC[NH+](C)CC2)nn1 ZINC000881330503 806940915 /nfs/dbraw/zinc/94/09/15/806940915.db2.gz RHNHKEJCKZWTIJ-UHFFFAOYSA-N 1 0 304.398 -0.399 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C)C1 ZINC001324067453 806941712 /nfs/dbraw/zinc/94/17/12/806941712.db2.gz JAFGUBXDUKWGKN-OLZOCXBDSA-N 1 0 315.439 -0.082 20 30 DBEDRO C=C(Cl)Cn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000881426346 806942221 /nfs/dbraw/zinc/94/22/21/806942221.db2.gz CTHSEGRKYNMWTM-UHFFFAOYSA-N 1 0 320.806 -0.730 20 30 DBEDRO CCN1CC[NH+](CCCCNC(=O)Cn2cnc(C#N)n2)CC1 ZINC001324086659 806943085 /nfs/dbraw/zinc/94/30/85/806943085.db2.gz HZHYWAOJDPOFNJ-UHFFFAOYSA-N 1 0 319.413 -0.316 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc(C)cn1 ZINC001324118047 806944809 /nfs/dbraw/zinc/94/48/09/806944809.db2.gz SEHAUKRGRRSKKO-AWEZNQCLSA-N 1 0 317.393 -0.478 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1ccnn1C ZINC001324127491 806945317 /nfs/dbraw/zinc/94/53/17/806945317.db2.gz DDIWFJJCVZBIND-GFCCVEGCSA-N 1 0 305.382 -0.084 20 30 DBEDRO C=CCOCC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001324129035 806946156 /nfs/dbraw/zinc/94/61/56/806946156.db2.gz JQESEHFAZJAYOL-MNOVXSKESA-N 1 0 312.370 -0.647 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)COCC=C ZINC001324127582 806946312 /nfs/dbraw/zinc/94/63/12/806946312.db2.gz CRTZIBSDZMPDFR-UONOGXRCSA-N 1 0 307.394 -0.093 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1=CCOCC1 ZINC001324144811 806946791 /nfs/dbraw/zinc/94/67/91/806946791.db2.gz AUBYLDLDBYYHIB-CQSZACIVSA-N 1 0 305.378 -0.337 20 30 DBEDRO Cc1nc(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)co1 ZINC001324146177 806946802 /nfs/dbraw/zinc/94/68/02/806946802.db2.gz MRYOQRNPBCOETP-NSHDSACASA-N 1 0 305.338 -0.183 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1cn(C)cn1 ZINC001324144430 806947119 /nfs/dbraw/zinc/94/71/19/806947119.db2.gz VOQONPBZJVAFTD-STQMWFEESA-N 1 0 317.393 -0.248 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001324237634 806954760 /nfs/dbraw/zinc/95/47/60/806954760.db2.gz VPYVIIFZEOIRLX-LBPRGKRZSA-N 1 0 320.393 -0.146 20 30 DBEDRO C#CCN(C(=O)CC(N)=O)C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001324377865 806969100 /nfs/dbraw/zinc/96/91/00/806969100.db2.gz SXBOYMXSVHIROZ-CYBMUJFWSA-N 1 0 309.410 -0.051 20 30 DBEDRO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CNS(=O)(=O)NC)C1 ZINC001324632881 806993746 /nfs/dbraw/zinc/99/37/46/806993746.db2.gz OOYGZIMAAWBWFV-GFCCVEGCSA-N 1 0 304.416 -0.803 20 30 DBEDRO C#CCN(C(=O)CC[NH+](C)C)C1CCN([C@H]2CCNC2=O)CC1 ZINC001324420023 806972884 /nfs/dbraw/zinc/97/28/84/806972884.db2.gz IWWZYHZIZOUZNP-HNNXBMFYSA-N 1 0 320.437 -0.247 20 30 DBEDRO C#CCN(C(=O)CC[NH+](C)C)C1CCN([C@@H]2CCNC2=O)CC1 ZINC001324420024 806972959 /nfs/dbraw/zinc/97/29/59/806972959.db2.gz IWWZYHZIZOUZNP-OAHLLOKOSA-N 1 0 320.437 -0.247 20 30 DBEDRO C#CCN(C(=O)[C@H](C)[C@H]1CCC(=O)N1)C1CC[NH+](CCO)CC1 ZINC001324427148 806974668 /nfs/dbraw/zinc/97/46/68/806974668.db2.gz SPUUHGUUGIZRMX-UKRRQHHQSA-N 1 0 321.421 -0.180 20 30 DBEDRO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001324803646 807007317 /nfs/dbraw/zinc/00/73/17/807007317.db2.gz KMEUDUHTNORXRM-MRXNPFEDSA-N 1 0 305.378 -0.109 20 30 DBEDRO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001324659848 806997314 /nfs/dbraw/zinc/99/73/14/806997314.db2.gz AIWWIUMXGAWDGU-OAHLLOKOSA-N 1 0 306.366 -0.516 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CC(=O)NCC#N)C2)C1 ZINC001324674980 806999579 /nfs/dbraw/zinc/99/95/79/806999579.db2.gz SVRVDEKSCGLJAY-SWLSCSKDSA-N 1 0 307.398 -0.842 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)c2ncn(C)n2)C1 ZINC001324722917 807002157 /nfs/dbraw/zinc/00/21/57/807002157.db2.gz QEWNNVGMLWQELE-HNNXBMFYSA-N 1 0 318.381 -0.994 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001324735486 807003115 /nfs/dbraw/zinc/00/31/15/807003115.db2.gz GNGRPKIUELUECU-ZDUSSCGKSA-N 1 0 303.428 -0.108 20 30 DBEDRO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001035475531 814952440 /nfs/dbraw/zinc/95/24/40/814952440.db2.gz LOKWAQVYHJMGHQ-QWHCGFSZSA-N 1 0 310.398 -0.207 20 30 DBEDRO C#CCCN1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035484066 814954235 /nfs/dbraw/zinc/95/42/35/814954235.db2.gz WSCWGZGGTQKJNS-HZPDHXFCSA-N 1 0 323.437 -0.064 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)Cn1ccccc1=O ZINC001278010319 803741373 /nfs/dbraw/zinc/74/13/73/803741373.db2.gz OHNFHTUJLWLUBL-CQSZACIVSA-N 1 0 305.378 -0.065 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCCC(N)=O ZINC001278015802 803742064 /nfs/dbraw/zinc/74/20/64/803742064.db2.gz MKIOJJBTDSJOFB-CHWSQXEVSA-N 1 0 322.409 -0.640 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001278017843 803742159 /nfs/dbraw/zinc/74/21/59/803742159.db2.gz QAGUTDGUDUADOH-LLVKDONJSA-N 1 0 306.366 -0.187 20 30 DBEDRO CC#CC[NH+]1CCC(C)(NC(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC001278050853 803748691 /nfs/dbraw/zinc/74/86/91/803748691.db2.gz ADGISNGPCRJXQP-UHFFFAOYSA-N 1 0 318.381 -0.629 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1oc(C)nc1C ZINC001278061249 803749082 /nfs/dbraw/zinc/74/90/82/803749082.db2.gz IRWJOPWQOBXIRG-PWSUYJOCSA-N 1 0 324.381 -0.338 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C)c(C)o1 ZINC001278071239 803749890 /nfs/dbraw/zinc/74/98/90/803749890.db2.gz MSSVQIKQIMGVQS-GFCCVEGCSA-N 1 0 309.366 -0.121 20 30 DBEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CCC1 ZINC001278078256 803751048 /nfs/dbraw/zinc/75/10/48/803751048.db2.gz UITVAJBSRWDKQJ-CQSZACIVSA-N 1 0 309.410 -0.371 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2n[nH]cc2C)C1=O ZINC001278077963 803751515 /nfs/dbraw/zinc/75/15/15/803751515.db2.gz QHIXXHXDXSNIJQ-RYUDHWBXSA-N 1 0 321.381 -0.815 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc2c1oc(=O)n2C ZINC001278093055 803753012 /nfs/dbraw/zinc/75/30/12/803753012.db2.gz GPDGWTHZHXEGBE-NSHDSACASA-N 1 0 317.345 -0.165 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN(C)C(=O)c1cccs1 ZINC001278094238 803753034 /nfs/dbraw/zinc/75/30/34/803753034.db2.gz URFRYGQTQAMSET-LBPRGKRZSA-N 1 0 323.418 -0.090 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC12CC2 ZINC001278100092 803754220 /nfs/dbraw/zinc/75/42/20/803754220.db2.gz SXAPMCKOWCLVNE-NWDGAFQWSA-N 1 0 308.382 -0.727 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001278099165 803754571 /nfs/dbraw/zinc/75/45/71/803754571.db2.gz FKXJSGFMMUJBON-PBHICJAKSA-N 1 0 321.421 -0.227 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001278099770 803754603 /nfs/dbraw/zinc/75/46/03/803754603.db2.gz OUVFOZATRKRROQ-KGLIPLIRSA-N 1 0 304.394 -0.156 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1ccccc1 ZINC001278105798 803755250 /nfs/dbraw/zinc/75/52/50/803755250.db2.gz PBGXOXKGRRRHNX-UKRRQHHQSA-N 1 0 317.389 -0.566 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001278120381 803757565 /nfs/dbraw/zinc/75/75/65/803757565.db2.gz TWVPOPROWGCJRK-JQWIXIFHSA-N 1 0 307.354 -0.992 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H](CC)C(N)=O)cc1 ZINC001278130909 803758199 /nfs/dbraw/zinc/75/81/99/803758199.db2.gz XMBDGWGGSUBUDK-ZIAGYGMSSA-N 1 0 303.362 -0.388 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)cc1 ZINC001278130373 803758335 /nfs/dbraw/zinc/75/83/35/803758335.db2.gz VKZITTBXSWABBL-GJZGRUSLSA-N 1 0 315.373 -0.373 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001278137052 803759134 /nfs/dbraw/zinc/75/91/34/803759134.db2.gz BXHWYYHNLSZODV-NEPJUHHUSA-N 1 0 321.343 -0.039 20 30 DBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001278137054 803759189 /nfs/dbraw/zinc/75/91/89/803759189.db2.gz BXHWYYHNLSZODV-RYUDHWBXSA-N 1 0 321.343 -0.039 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001278140161 803759228 /nfs/dbraw/zinc/75/92/28/803759228.db2.gz YKWSYCXOJRHKJN-HUUCEWRRSA-N 1 0 317.389 -0.172 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cc(C)co1 ZINC001278139206 803759287 /nfs/dbraw/zinc/75/92/87/803759287.db2.gz RCMNDDBTXSMTSJ-NWDGAFQWSA-N 1 0 309.366 -0.041 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCC(F)CC1 ZINC001278148413 803760393 /nfs/dbraw/zinc/76/03/93/803760393.db2.gz UTOCEYMJHKMWLU-BPCQOVAHSA-N 1 0 313.373 -0.669 20 30 DBEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC001278177304 803764690 /nfs/dbraw/zinc/76/46/90/803764690.db2.gz NOFSASGSNTVTMW-UHFFFAOYSA-N 1 0 300.362 -0.007 20 30 DBEDRO O=C(NC[C@H](CO)[NH2+]CC#Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001278187451 803764929 /nfs/dbraw/zinc/76/49/29/803764929.db2.gz QJCCTTGXJVLHFI-CABCVRRESA-N 1 0 315.373 -0.617 20 30 DBEDRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C(C)(F)F ZINC001278187840 803765227 /nfs/dbraw/zinc/76/52/27/803765227.db2.gz ZDMOLUVYKQBFAW-VIFPVBQESA-N 1 0 320.340 -0.626 20 30 DBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCNC(=O)c1cccs1 ZINC001278193815 803766873 /nfs/dbraw/zinc/76/68/73/803766873.db2.gz DQFBHKJICVKTHA-LLVKDONJSA-N 1 0 309.391 -0.432 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)CC)[C@@H]1C ZINC001278231965 803768617 /nfs/dbraw/zinc/76/86/17/803768617.db2.gz HLTVOGZXMQYGEK-VXGBXAGGSA-N 1 0 310.398 -0.606 20 30 DBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C ZINC001278229869 803769082 /nfs/dbraw/zinc/76/90/82/803769082.db2.gz BKLNYMSEZBJULP-NEPJUHHUSA-N 1 0 302.396 -0.740 20 30 DBEDRO C[NH+](C)CCN1CC2(C1)CCN(S(=O)(=O)CC#N)CC2 ZINC001278255638 803770503 /nfs/dbraw/zinc/77/05/03/803770503.db2.gz CQSBXGNRYJLDBR-UHFFFAOYSA-N 1 0 300.428 -0.201 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2C)[C@@H]1C ZINC001278283661 803774358 /nfs/dbraw/zinc/77/43/58/803774358.db2.gz IBQIRPRSRCKDFR-YPMHNXCESA-N 1 0 303.366 -0.340 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC)n2)[C@H]1C ZINC001278301311 803775342 /nfs/dbraw/zinc/77/53/42/803775342.db2.gz MEFIICHAVZCWCN-QWHCGFSZSA-N 1 0 317.393 -0.155 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC001278302292 803775474 /nfs/dbraw/zinc/77/54/74/803775474.db2.gz VKXXRCPCSYUIOU-WDEREUQCSA-N 1 0 320.349 -0.991 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC001278300942 803775509 /nfs/dbraw/zinc/77/55/09/803775509.db2.gz KHHRBNOJVYNVML-YPMHNXCESA-N 1 0 318.377 -0.700 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C ZINC001278302290 803775554 /nfs/dbraw/zinc/77/55/54/803775554.db2.gz VKXXRCPCSYUIOU-GHMZBOCLSA-N 1 0 320.349 -0.991 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC)n2)[C@@H]1C ZINC001278301307 803775604 /nfs/dbraw/zinc/77/56/04/803775604.db2.gz MEFIICHAVZCWCN-CHWSQXEVSA-N 1 0 317.393 -0.155 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC001278325087 803777601 /nfs/dbraw/zinc/77/76/01/803777601.db2.gz HLANCIFMCDBANS-VXGBXAGGSA-N 1 0 303.366 -0.638 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2snnc2C)C1 ZINC001278344078 803779342 /nfs/dbraw/zinc/77/93/42/803779342.db2.gz DLYPJOICDCELAB-MWLCHTKSSA-N 1 0 321.406 -0.211 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001278347438 803780123 /nfs/dbraw/zinc/78/01/23/803780123.db2.gz RCFNGIIGYOCPNR-GHMZBOCLSA-N 1 0 312.370 -0.776 20 30 DBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1=COCCC1 ZINC001278355770 803781612 /nfs/dbraw/zinc/78/16/12/803781612.db2.gz MQRQXMGUTFLNIQ-DGCLKSJQSA-N 1 0 306.366 -0.101 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2N)C1 ZINC001278363230 803783124 /nfs/dbraw/zinc/78/31/24/803783124.db2.gz DCVXHYLHRQLXFE-MNOVXSKESA-N 1 0 320.397 -0.503 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncnc2)C1 ZINC001278365518 803783202 /nfs/dbraw/zinc/78/32/02/803783202.db2.gz WYWONZKCQOPKPI-DGCLKSJQSA-N 1 0 303.366 -0.029 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nccc(C)n2)C1 ZINC001278365235 803783762 /nfs/dbraw/zinc/78/37/62/803783762.db2.gz SQKNAVUZNIYGFO-QWHCGFSZSA-N 1 0 315.377 -0.273 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ocnc2C)C1 ZINC001278365586 803783776 /nfs/dbraw/zinc/78/37/76/803783776.db2.gz XUDGVYOOMAYVEY-JQWIXIFHSA-N 1 0 304.350 -0.075 20 30 DBEDRO COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001278382031 803787656 /nfs/dbraw/zinc/78/76/56/803787656.db2.gz QLTOQCGQSTWNCF-XJKSGUPXSA-N 1 0 307.394 -0.257 20 30 DBEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278403325 803788990 /nfs/dbraw/zinc/78/89/90/803788990.db2.gz HXKGAKQFRBMPMD-WCQYABFASA-N 1 0 321.377 -0.732 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001278403321 803789034 /nfs/dbraw/zinc/78/90/34/803789034.db2.gz HXKGAKQFRBMPMD-AAEUAGOBSA-N 1 0 321.377 -0.732 20 30 DBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001278422987 803791021 /nfs/dbraw/zinc/79/10/21/803791021.db2.gz GXVSAVXVXMRNHV-STQMWFEESA-N 1 0 320.393 -0.434 20 30 DBEDRO CC[C@@H](C(=O)N[C@@]1(C)CCN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001278427354 803791269 /nfs/dbraw/zinc/79/12/69/803791269.db2.gz SDKXWCDBJPRPHF-WFASDCNBSA-N 1 0 309.414 -0.453 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001278490319 803795149 /nfs/dbraw/zinc/79/51/49/803795149.db2.gz BRWCJCGNIQFIBZ-INIZCTEOSA-N 1 0 309.410 -0.057 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001278602697 803800408 /nfs/dbraw/zinc/80/04/08/803800408.db2.gz UTJNZPPUGZLSBF-NEPJUHHUSA-N 1 0 320.397 -0.395 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001278608897 803801697 /nfs/dbraw/zinc/80/16/97/803801697.db2.gz RQEPRCWSVOWLAH-QWHCGFSZSA-N 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/nfs/dbraw/zinc/71/91/78/830719178.db2.gz WHIWEPLUMXYEGG-VXGBXAGGSA-N 1 0 318.381 -0.758 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C ZINC001132959605 830722664 /nfs/dbraw/zinc/72/26/64/830722664.db2.gz NNKPMRHFHWJEJH-OLZOCXBDSA-N 1 0 318.377 -0.344 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)nc(OC)c1 ZINC001132968263 830724858 /nfs/dbraw/zinc/72/48/58/830724858.db2.gz AULRQMCVFWUSOG-UHFFFAOYSA-N 1 0 304.350 -0.533 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001133032354 830736172 /nfs/dbraw/zinc/73/61/72/830736172.db2.gz YVNWXWZWBYHRIA-HUUCEWRRSA-N 1 0 320.437 -0.484 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1c(F)cccc1F ZINC001133054097 830737682 /nfs/dbraw/zinc/73/76/82/830737682.db2.gz ATNNUNHKIDOMCP-UHFFFAOYSA-N 1 0 309.316 -0.038 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)cc1F ZINC001133129424 830744471 /nfs/dbraw/zinc/74/44/71/830744471.db2.gz YIDKIQZPJCWEOY-LBPRGKRZSA-N 1 0 305.313 -0.415 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001133165197 830747811 /nfs/dbraw/zinc/74/78/11/830747811.db2.gz CRHACRALRROXKR-WCQYABFASA-N 1 0 305.378 -0.253 20 30 DBEDRO C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133181815 830749084 /nfs/dbraw/zinc/74/90/84/830749084.db2.gz ITOIJHUYRYPIDU-QWRGUYRKSA-N 1 0 319.369 -0.868 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188826 830751106 /nfs/dbraw/zinc/75/11/06/830751106.db2.gz AWXMLVFNZCUROJ-UHFFFAOYSA-N 1 0 308.382 -0.842 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2nonc2c1 ZINC001133203693 830756630 /nfs/dbraw/zinc/75/66/30/830756630.db2.gz SUCFQWAJSDBWCR-UHFFFAOYSA-N 1 0 301.306 -0.708 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)CC[C@H]1C ZINC001133305815 830765352 /nfs/dbraw/zinc/76/53/52/830765352.db2.gz GGJVKPJTCQIDGQ-CHWSQXEVSA-N 1 0 320.393 -0.412 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C ZINC001133307166 830766161 /nfs/dbraw/zinc/76/61/61/830766161.db2.gz VNIGWOZJZDQEIJ-STQMWFEESA-N 1 0 320.393 -0.364 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@@H]1C ZINC001133307173 830766486 /nfs/dbraw/zinc/76/64/86/830766486.db2.gz VNUGODNKIRFXHI-RYUDHWBXSA-N 1 0 308.382 -0.202 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@H]1C ZINC001133333449 830768699 /nfs/dbraw/zinc/76/86/99/830768699.db2.gz HPMRYFHDJKJRKW-VXGBXAGGSA-N 1 0 303.428 -0.204 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001133336548 830770061 /nfs/dbraw/zinc/77/00/61/830770061.db2.gz CDXQNKFVMHTKES-NEPJUHHUSA-N 1 0 320.397 -0.363 20 30 DBEDRO C=CCCC1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001133375933 830773151 /nfs/dbraw/zinc/77/31/51/830773151.db2.gz OXKGNQRUGZTMJZ-UHFFFAOYSA-N 1 0 322.409 -0.603 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COC ZINC001133460850 830776610 /nfs/dbraw/zinc/77/66/10/830776610.db2.gz GELQNEZZEXWJOJ-QWRGUYRKSA-N 1 0 314.386 -0.483 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467879 830778708 /nfs/dbraw/zinc/77/87/08/830778708.db2.gz RGAIELGWJZZDNU-HNNXBMFYSA-N 1 0 323.397 -0.877 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133512711 830783880 /nfs/dbraw/zinc/78/38/80/830783880.db2.gz GYLIJCUXIALYHF-GFCCVEGCSA-N 1 0 314.386 -0.884 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133513410 830784044 /nfs/dbraw/zinc/78/40/44/830784044.db2.gz PRHHYMHBVJPVBX-CYBMUJFWSA-N 1 0 313.398 -0.446 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001133583039 830789770 /nfs/dbraw/zinc/78/97/70/830789770.db2.gz YSXMFLXNBYSCSP-VXGBXAGGSA-N 1 0 309.366 -0.503 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CCOCCNC(C)=O)c1 ZINC001133593302 830790982 /nfs/dbraw/zinc/79/09/82/830790982.db2.gz YDXVDMTYWFYAKG-UHFFFAOYSA-N 1 0 318.377 -0.465 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)NCCCOC)c1 ZINC001133593053 830790990 /nfs/dbraw/zinc/79/09/90/830790990.db2.gz LZFWKBROBXAOBP-UHFFFAOYSA-N 1 0 318.377 -0.465 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CCNC(=O)C2CC2)c1 ZINC001133596987 830791139 /nfs/dbraw/zinc/79/11/39/830791139.db2.gz GTZFGAIMKGOJES-UHFFFAOYSA-N 1 0 300.362 -0.092 20 30 DBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC001133592752 830791219 /nfs/dbraw/zinc/79/12/19/830791219.db2.gz AIBSTGMGVUUESZ-CYBMUJFWSA-N 1 0 321.402 -0.183 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnc(OCC)c1 ZINC001133601034 830791273 /nfs/dbraw/zinc/79/12/73/830791273.db2.gz MFILXJVXMRPVKO-LBPRGKRZSA-N 1 0 318.377 -0.062 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cccn1 ZINC001133675728 830806493 /nfs/dbraw/zinc/80/64/93/830806493.db2.gz UWMHMSKHJGLDSN-QWHCGFSZSA-N 1 0 305.382 -0.495 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cccn1 ZINC001133726243 830813509 /nfs/dbraw/zinc/81/35/09/830813509.db2.gz GBKUHJFLKKEHIN-KBPBESRZSA-N 1 0 319.409 -0.105 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(CC)c1CC ZINC001133762482 830820151 /nfs/dbraw/zinc/82/01/51/830820151.db2.gz APHYSLQGAVDOTF-LLVKDONJSA-N 1 0 322.413 -0.130 20 30 DBEDRO CCOC1CC2(C[C@H]2C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133793115 830826942 /nfs/dbraw/zinc/82/69/42/830826942.db2.gz JFBKOFZUHPJQNJ-AVERBVTBSA-N 1 0 308.382 -0.463 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001133831093 830831988 /nfs/dbraw/zinc/83/19/88/830831988.db2.gz RLOXIGQGCUHUSJ-WDEREUQCSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C)n(C)n1 ZINC001133829817 830832237 /nfs/dbraw/zinc/83/22/37/830832237.db2.gz IIJHGSSICMSDMW-NWDGAFQWSA-N 1 0 319.409 -0.036 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133836851 830835534 /nfs/dbraw/zinc/83/55/34/830835534.db2.gz VBJOBKJSHZDLNJ-VXGBXAGGSA-N 1 0 304.412 -0.446 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001133865592 830840728 /nfs/dbraw/zinc/84/07/28/830840728.db2.gz DLNJDKQQAGYUKE-VHSXEESVSA-N 1 0 306.370 -0.156 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001133880524 830848064 /nfs/dbraw/zinc/84/80/64/830848064.db2.gz KJBJNDZNJNIEMI-QWRGUYRKSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133888378 830849583 /nfs/dbraw/zinc/84/95/83/830849583.db2.gz IYYITURWOFYNIG-OLZOCXBDSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133909324 830853170 /nfs/dbraw/zinc/85/31/70/830853170.db2.gz KACSUYWYLCLUGA-QWRGUYRKSA-N 1 0 314.386 -0.483 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1=O ZINC001133922576 830857214 /nfs/dbraw/zinc/85/72/14/830857214.db2.gz XAXXJOOUNIRYJX-YNEHKIRRSA-N 1 0 322.409 -0.797 20 30 DBEDRO Cc1nn(C)cc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133937344 830860844 /nfs/dbraw/zinc/86/08/44/830860844.db2.gz XNJQUMCUPXPNIF-GHMZBOCLSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133951101 830863188 /nfs/dbraw/zinc/86/31/88/830863188.db2.gz PKAATRJCWATHSM-LLVKDONJSA-N 1 0 308.386 -0.856 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)c1C ZINC001133995187 830871646 /nfs/dbraw/zinc/87/16/46/830871646.db2.gz XPACEKOVQHSDRX-QWRGUYRKSA-N 1 0 322.413 -0.088 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001133995189 830871785 /nfs/dbraw/zinc/87/17/85/830871785.db2.gz XPACEKOVQHSDRX-WDEREUQCSA-N 1 0 322.413 -0.088 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134021077 830877105 /nfs/dbraw/zinc/87/71/05/830877105.db2.gz QSMMRVVRKCOWBE-JTQLQIEISA-N 1 0 320.349 -0.747 20 30 DBEDRO Cc1cc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001134055625 830884604 /nfs/dbraw/zinc/88/46/04/830884604.db2.gz KRVRNMUOMXHQFK-GHMZBOCLSA-N 1 0 320.397 -0.227 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cccc(=O)[nH]1 ZINC001134065471 830885659 /nfs/dbraw/zinc/88/56/59/830885659.db2.gz OSUNEHOZJORTAK-QWRGUYRKSA-N 1 0 319.365 -0.087 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cccc(=O)[nH]1 ZINC001134065472 830885663 /nfs/dbraw/zinc/88/56/63/830885663.db2.gz OSUNEHOZJORTAK-WDEREUQCSA-N 1 0 319.365 -0.087 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)ncn1 ZINC001134095730 830887204 /nfs/dbraw/zinc/88/72/04/830887204.db2.gz XWGKUEIJQYONJN-CMPLNLGQSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001134105196 830889351 /nfs/dbraw/zinc/88/93/51/830889351.db2.gz RAKUKGGUPGYZJI-NWDGAFQWSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001134130012 830895559 /nfs/dbraw/zinc/89/55/59/830895559.db2.gz AZTPUVGXYFUVQO-RYUDHWBXSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001134130204 830895474 /nfs/dbraw/zinc/89/54/74/830895474.db2.gz DSRPBMJRKQYNHQ-RYUDHWBXSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001134130203 830895694 /nfs/dbraw/zinc/89/56/94/830895694.db2.gz DSRPBMJRKQYNHQ-NWDGAFQWSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001134130047 830895720 /nfs/dbraw/zinc/89/57/20/830895720.db2.gz BIZLWEFJMSJMDK-NWDGAFQWSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001134131139 830896109 /nfs/dbraw/zinc/89/61/09/830896109.db2.gz RFZDNILGAOKGAG-OLZOCXBDSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cccn1 ZINC001134130805 830896458 /nfs/dbraw/zinc/89/64/58/830896458.db2.gz MQTVCAXJKHBVQE-ZIAGYGMSSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001134131320 830896632 /nfs/dbraw/zinc/89/66/32/830896632.db2.gz UTONFCIJGOXETD-QWHCGFSZSA-N 1 0 317.393 -0.011 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001134130680 830897005 /nfs/dbraw/zinc/89/70/05/830897005.db2.gz LGZCSDJYMOMNFH-RYUDHWBXSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC(=O)NC ZINC001134131281 830897071 /nfs/dbraw/zinc/89/70/71/830897071.db2.gz TXOYIESRXYHFIS-STQMWFEESA-N 1 0 324.425 -0.475 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134134932 830897682 /nfs/dbraw/zinc/89/76/82/830897682.db2.gz PLQJKXOXKPETOH-RYUDHWBXSA-N 1 0 309.370 -0.494 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001134139633 830899959 /nfs/dbraw/zinc/89/99/59/830899959.db2.gz YJBSTVVSOHXSDW-QWHCGFSZSA-N 1 0 301.350 -0.469 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001134157066 830902203 /nfs/dbraw/zinc/90/22/03/830902203.db2.gz URTFQJJGNCSCNV-DTWKUNHWSA-N 1 0 320.353 -0.432 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134194362 830907425 /nfs/dbraw/zinc/90/74/25/830907425.db2.gz SEBXPEXGCZCMOO-CHWSQXEVSA-N 1 0 320.397 -0.710 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134198187 830908532 /nfs/dbraw/zinc/90/85/32/830908532.db2.gz UNXFRXJSYGFFAE-QWRGUYRKSA-N 1 0 322.413 -0.209 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001134235208 830912511 /nfs/dbraw/zinc/91/25/11/830912511.db2.gz NFQWXVGIEHHKDH-NEPJUHHUSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1ncc[nH]1 ZINC001134235209 830912606 /nfs/dbraw/zinc/91/26/06/830912606.db2.gz NFQWXVGIEHHKDH-NWDGAFQWSA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134244792 830914931 /nfs/dbraw/zinc/91/49/31/830914931.db2.gz QCAINKBRDMBQNV-GHMZBOCLSA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134288403 830917724 /nfs/dbraw/zinc/91/77/24/830917724.db2.gz HUWVENLWFIVJBW-GHMZBOCLSA-N 1 0 306.370 -0.949 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001134303248 830921039 /nfs/dbraw/zinc/92/10/39/830921039.db2.gz QAKIPFHDXGYMID-NWDGAFQWSA-N 1 0 305.382 -0.046 20 30 DBEDRO CCn1nncc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134322080 830923077 /nfs/dbraw/zinc/92/30/77/830923077.db2.gz OPGHKSBNKOUKLE-GHMZBOCLSA-N 1 0 321.385 -0.576 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001134335838 830923885 /nfs/dbraw/zinc/92/38/85/830923885.db2.gz CVOBPYGVXXXEJA-CHWSQXEVSA-N 1 0 319.409 -0.415 20 30 DBEDRO Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001134332875 830923943 /nfs/dbraw/zinc/92/39/43/830923943.db2.gz IQWREBAKDVTSIR-RYUDHWBXSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCOCC#C ZINC001134351527 830924730 /nfs/dbraw/zinc/92/47/30/830924730.db2.gz HHYZOYBQLSZZRG-KBPBESRZSA-N 1 0 307.394 -0.351 20 30 DBEDRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001134352759 830925405 /nfs/dbraw/zinc/92/54/05/830925405.db2.gz NQUOMKYULWKAJR-NSHDSACASA-N 1 0 324.406 -0.298 20 30 DBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134372224 830929657 /nfs/dbraw/zinc/92/96/57/830929657.db2.gz GPYINWNOZVBKIS-QWHCGFSZSA-N 1 0 308.382 -0.461 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134372223 830930003 /nfs/dbraw/zinc/93/00/03/830930003.db2.gz GPYINWNOZVBKIS-OLZOCXBDSA-N 1 0 308.382 -0.461 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134401780 830933820 /nfs/dbraw/zinc/93/38/20/830933820.db2.gz WNEKYCLMWDNBAP-MNOVXSKESA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001134412119 830935509 /nfs/dbraw/zinc/93/55/09/830935509.db2.gz VLBVOCQDBXGZKY-UHFFFAOYSA-N 1 0 310.398 -0.747 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426934 830936275 /nfs/dbraw/zinc/93/62/75/830936275.db2.gz IFVNIBVNLVTRQO-VXGBXAGGSA-N 1 0 316.423 -0.446 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426933 830936371 /nfs/dbraw/zinc/93/63/71/830936371.db2.gz IFVNIBVNLVTRQO-RYUDHWBXSA-N 1 0 316.423 -0.446 20 30 DBEDRO N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 ZINC001134460792 830937959 /nfs/dbraw/zinc/93/79/59/830937959.db2.gz JVIXTWHQKOLKHU-LBPRGKRZSA-N 1 0 315.333 -0.638 20 30 DBEDRO CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C(C)C)n1 ZINC001134480777 830940014 /nfs/dbraw/zinc/94/00/14/830940014.db2.gz UCTJHUJWLRASRN-UHFFFAOYSA-N 1 0 320.397 -0.014 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539800 830948090 /nfs/dbraw/zinc/94/80/90/830948090.db2.gz FJKLBIXHDNECAK-NEPJUHHUSA-N 1 0 306.366 -0.947 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134541756 830948634 /nfs/dbraw/zinc/94/86/34/830948634.db2.gz WNEXOBWTYSAGIW-STQMWFEESA-N 1 0 320.393 -0.557 20 30 DBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134540796 830948661 /nfs/dbraw/zinc/94/86/61/830948661.db2.gz LURJXPVNFOBVFU-CHWSQXEVSA-N 1 0 322.409 -0.004 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1c[nH]cn1 ZINC001134545943 830949734 /nfs/dbraw/zinc/94/97/34/830949734.db2.gz UCPDYIOIUUVWPQ-VXGBXAGGSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnc(N(C)C)c1 ZINC001134606406 830954745 /nfs/dbraw/zinc/95/47/45/830954745.db2.gz ZDUHMENASHTHFS-LBPRGKRZSA-N 1 0 317.393 -0.395 20 30 DBEDRO C[C@@H]1CCCC[C@H]1OCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134631278 830958384 /nfs/dbraw/zinc/95/83/84/830958384.db2.gz UCKDYIFCOLFWMA-CHWSQXEVSA-N 1 0 310.398 -0.073 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644664 830961642 /nfs/dbraw/zinc/96/16/42/830961642.db2.gz RVXQKCJWQOVFOH-GFCCVEGCSA-N 1 0 304.412 -0.280 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001134681303 830969386 /nfs/dbraw/zinc/96/93/86/830969386.db2.gz VFXVKDDCEQVBSJ-NXEZZACHSA-N 1 0 321.381 -0.340 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)C(C)(C)NC(=O)NCC ZINC001134705314 830970285 /nfs/dbraw/zinc/97/02/85/830970285.db2.gz KZUPOVVUQWDJBK-UHFFFAOYSA-N 1 0 300.403 -0.008 20 30 DBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714322 830970361 /nfs/dbraw/zinc/97/03/61/830970361.db2.gz KVHZTAZEJUGAII-SNVBAGLBSA-N 1 0 310.354 -0.533 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001134748823 830974480 /nfs/dbraw/zinc/97/44/80/830974480.db2.gz NNKCUDHFKJPBKZ-STQMWFEESA-N 1 0 318.439 -0.056 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134749829 830974628 /nfs/dbraw/zinc/97/46/28/830974628.db2.gz ZRJDGQQNBPSMIJ-RYUDHWBXSA-N 1 0 304.412 -0.446 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)CCOC ZINC001134764475 830975803 /nfs/dbraw/zinc/97/58/03/830975803.db2.gz OEIYLBYZSKTQFS-QWHCGFSZSA-N 1 0 318.439 -0.056 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001134816654 830979254 /nfs/dbraw/zinc/97/92/54/830979254.db2.gz GNVGFYGZVKVVHE-UONOGXRCSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC(=C)C)NC(C)=O ZINC001134821384 830979298 /nfs/dbraw/zinc/97/92/98/830979298.db2.gz PLKNTEACNRXYKV-JSGCOSHPSA-N 1 0 322.409 -0.699 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001134817481 830979428 /nfs/dbraw/zinc/97/94/28/830979428.db2.gz YCAFJDPYHHFKJM-DGCLKSJQSA-N 1 0 312.414 -0.360 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001134817125 830979592 /nfs/dbraw/zinc/97/95/92/830979592.db2.gz NYUDQHFKTBSYPR-OLZOCXBDSA-N 1 0 310.398 -0.606 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001134816661 830979635 /nfs/dbraw/zinc/97/96/35/830979635.db2.gz GRBDVFWIVORTPD-OLZOCXBDSA-N 1 0 301.387 -0.830 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001134819957 830979639 /nfs/dbraw/zinc/97/96/39/830979639.db2.gz FZQYIBUUPDVLDW-WDEREUQCSA-N 1 0 319.352 -0.110 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001134816660 830979715 /nfs/dbraw/zinc/97/97/15/830979715.db2.gz GRBDVFWIVORTPD-CHWSQXEVSA-N 1 0 301.387 -0.830 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001134816894 830979771 /nfs/dbraw/zinc/97/97/71/830979771.db2.gz JIQSFVWEWXKYAK-CQSZACIVSA-N 1 0 324.425 -0.215 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncc(OC)n1 ZINC001134832521 830980383 /nfs/dbraw/zinc/98/03/83/830980383.db2.gz FHIMCWOMZXXPHC-SNVBAGLBSA-N 1 0 307.354 -0.505 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)ncc1Cl ZINC001134839099 830980979 /nfs/dbraw/zinc/98/09/79/830980979.db2.gz OGHMSQBRQLUQPQ-VIFPVBQESA-N 1 0 323.784 -0.104 20 30 DBEDRO CC(C)c1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(=O)[nH]1 ZINC001134851395 830983178 /nfs/dbraw/zinc/98/31/78/830983178.db2.gz ZBWDKUHTMFGQEU-UHFFFAOYSA-N 1 0 319.365 -0.130 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134874241 830985822 /nfs/dbraw/zinc/98/58/22/830985822.db2.gz DVFRYKLNPHBVKW-ZDUSSCGKSA-N 1 0 324.425 -0.359 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001134890658 830988988 /nfs/dbraw/zinc/98/89/88/830988988.db2.gz WXWAYJBEKVTWCA-UHFFFAOYSA-N 1 0 317.349 -0.872 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C2CC2)[nH]c1=O ZINC001134890413 830989105 /nfs/dbraw/zinc/98/91/05/830989105.db2.gz LQDUDPYIEFGIGD-UHFFFAOYSA-N 1 0 318.337 -0.981 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134897222 830990163 /nfs/dbraw/zinc/99/01/63/830990163.db2.gz BOHJLXAMUCDZLY-VXGBXAGGSA-N 1 0 306.366 -0.155 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)nn1 ZINC001134969009 830996620 /nfs/dbraw/zinc/99/66/20/830996620.db2.gz ASNIIGJTROYMOF-UHFFFAOYSA-N 1 0 308.386 -0.350 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCc2ccnn2C)nn1 ZINC001134969037 830996841 /nfs/dbraw/zinc/99/68/41/830996841.db2.gz BQXNANWLUOPKKM-UHFFFAOYSA-N 1 0 303.370 -0.240 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCCN2CCCC2=O)nn1 ZINC001134973343 830997332 /nfs/dbraw/zinc/99/73/32/830997332.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CSCC#N ZINC001268047840 835626267 /nfs/dbraw/zinc/62/62/67/835626267.db2.gz AHDZKYHZXGCRPR-VXGBXAGGSA-N 1 0 310.423 -0.182 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001268059174 835626950 /nfs/dbraw/zinc/62/69/50/835626950.db2.gz LKUMQTBNSKLUCU-HZMBPMFUSA-N 1 0 314.386 -0.794 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1n[nH]cc1C ZINC001268062783 835626988 /nfs/dbraw/zinc/62/69/88/835626988.db2.gz HBTJBYMUIRCTGZ-NEPJUHHUSA-N 1 0 305.382 -0.094 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CN(C(C)=O)C1 ZINC001268059143 835627190 /nfs/dbraw/zinc/62/71/90/835627190.db2.gz KUUVVLSTRRUNGW-VXGBXAGGSA-N 1 0 324.425 -0.408 20 30 DBEDRO CCn1ccnc1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268058491 835627198 /nfs/dbraw/zinc/62/71/98/835627198.db2.gz CXAMOKUPERMGPD-NSHDSACASA-N 1 0 306.370 -0.407 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CN(C(C)=O)C1 ZINC001268059140 835627202 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Cn1cc(C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)nn1 ZINC001268303834 835653893 /nfs/dbraw/zinc/65/38/93/835653893.db2.gz IOUNQOQOQLRHBG-CQSZACIVSA-N 1 0 313.361 -0.453 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001268304121 835654097 /nfs/dbraw/zinc/65/40/97/835654097.db2.gz LDQCEKQPUDFTOJ-GXSJLCMTSA-N 1 0 310.354 -0.646 20 30 DBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001268304643 835654504 /nfs/dbraw/zinc/65/45/04/835654504.db2.gz MWYBVYOBWBEFNK-AWEZNQCLSA-N 1 0 307.394 -0.475 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1coc(C)c1 ZINC001268305170 835654798 /nfs/dbraw/zinc/65/47/98/835654798.db2.gz SOXCYIQDXBHGSY-DGCLKSJQSA-N 1 0 309.366 -0.041 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001268306412 835655302 /nfs/dbraw/zinc/65/53/02/835655302.db2.gz BIPZHQLLHPPNPA-CQSZACIVSA-N 1 0 304.394 -0.148 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1csnc1C ZINC001268306112 835655312 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CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001486014643 1013566147 /nfs/dbraw/zinc/56/61/47/1013566147.db2.gz JBBUHQCJSUTGPF-CYBMUJFWSA-N 1 0 319.361 -0.746 20 30 DBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001486019372 1013570379 /nfs/dbraw/zinc/57/03/79/1013570379.db2.gz FRICICACQQTOFD-GFCCVEGCSA-N 1 0 302.338 -0.471 20 30 DBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001486019374 1013572315 /nfs/dbraw/zinc/57/23/15/1013572315.db2.gz FRICICACQQTOFD-LBPRGKRZSA-N 1 0 302.338 -0.471 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)cc1 ZINC001486022519 1013579080 /nfs/dbraw/zinc/57/90/80/1013579080.db2.gz DSTIHXAERACNIL-HNNXBMFYSA-N 1 0 315.373 -0.373 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cccnc1C ZINC001486030053 1013592814 /nfs/dbraw/zinc/59/28/14/1013592814.db2.gz OMFNNBOOFQPZFU-CHWSQXEVSA-N 1 0 318.377 -0.792 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCC(F)CC1 ZINC001486031849 1013595592 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1013651187 /nfs/dbraw/zinc/65/11/87/1013651187.db2.gz NVHQYNRSHICNLM-JXQTWKCFSA-N 1 0 323.437 -0.125 20 30 DBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(=O)CCC)C1 ZINC001486063058 1013647198 /nfs/dbraw/zinc/64/71/98/1013647198.db2.gz MOLXVPXPNBYXTI-KGLIPLIRSA-N 1 0 309.410 -0.275 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CSCC#N ZINC001486072952 1013658177 /nfs/dbraw/zinc/65/81/77/1013658177.db2.gz UHDNAMMSOSIFHW-NXEZZACHSA-N 1 0 324.410 -0.556 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c2)[C@@H]1C ZINC001486078556 1013662275 /nfs/dbraw/zinc/66/22/75/1013662275.db2.gz ZBCNTMAQUQVECL-TZMCWYRMSA-N 1 0 302.378 -0.033 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cnc[nH]c1=O ZINC001486080158 1013662614 /nfs/dbraw/zinc/66/26/14/1013662614.db2.gz AVWBIOGFSPEXTH-MWLCHTKSSA-N 1 0 318.337 -0.985 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)[C@H]1C ZINC001486076505 1013663288 /nfs/dbraw/zinc/66/32/88/1013663288.db2.gz 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20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C)cn1 ZINC001482788979 1011462206 /nfs/dbraw/zinc/46/22/06/1011462206.db2.gz LVOQRUCVNOUKQG-SMDDNHRTSA-N 1 0 318.377 -0.780 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001497250584 1017321256 /nfs/dbraw/zinc/32/12/56/1017321256.db2.gz ABFIELYLUQZHQN-VXGBXAGGSA-N 1 0 310.398 -0.749 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001482791069 1011468861 /nfs/dbraw/zinc/46/88/61/1011468861.db2.gz ORQDABIDKNGCQB-LBPRGKRZSA-N 1 0 306.366 -0.568 20 30 DBEDRO O=C(Cn1cncn1)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001482796069 1011481116 /nfs/dbraw/zinc/48/11/16/1011481116.db2.gz YAAIURWVYULQOS-HNNXBMFYSA-N 1 0 313.361 -0.604 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482799061 1011485447 /nfs/dbraw/zinc/48/54/47/1011485447.db2.gz MKRDGUHOECEHDU-AWEZNQCLSA-N 1 0 308.382 -0.931 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)CNC(C)=O)C1=O ZINC001482804860 1011491275 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20 30 DBEDRO C=CCn1cc(C(=O)N[C@H](C)CC[NH2+][C@@H](C)C(=O)NC)nn1 ZINC001482878544 1011520224 /nfs/dbraw/zinc/52/02/24/1011520224.db2.gz QSLOORZRGYZTDO-MNOVXSKESA-N 1 0 308.386 -0.303 20 30 DBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001482901063 1011527516 /nfs/dbraw/zinc/52/75/16/1011527516.db2.gz MNICMNNIYITPBG-OLZOCXBDSA-N 1 0 316.423 -0.302 20 30 DBEDRO Cc1nccc(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)n1 ZINC001482901331 1011527941 /nfs/dbraw/zinc/52/79/41/1011527941.db2.gz PLSVPGMYCRRMBZ-SNVBAGLBSA-N 1 0 304.354 -0.477 20 30 DBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cncnc1C ZINC001482920564 1011536167 /nfs/dbraw/zinc/53/61/67/1011536167.db2.gz HYCDAHFZFCOLFG-UHFFFAOYSA-N 1 0 304.354 -0.524 20 30 DBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C1CS(=O)(=O)C1 ZINC001482927655 1011543284 /nfs/dbraw/zinc/54/32/84/1011543284.db2.gz FWMXXGBUXDKKNE-UHFFFAOYSA-N 1 0 302.396 -0.881 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC(=O)NC1 ZINC001482935065 1011549352 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CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C#CC1CC1 ZINC001483005955 1011594819 /nfs/dbraw/zinc/59/48/19/1011594819.db2.gz IXPNKEVWKGKOOA-ARJAWSKDSA-N 1 0 306.366 -0.493 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCNC1=O ZINC001483022840 1011614513 /nfs/dbraw/zinc/61/45/13/1011614513.db2.gz WBVGOKGFYITRPM-MVZIDQBPSA-N 1 0 308.382 -0.923 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001483023948 1011616334 /nfs/dbraw/zinc/61/63/34/1011616334.db2.gz QPWGJTNZALMGJU-DWTRPJMMSA-N 1 0 322.409 -0.533 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)c1c[nH]c(=O)n1C ZINC001483043935 1011637050 /nfs/dbraw/zinc/63/70/50/1011637050.db2.gz MKJPBOXLXYODIY-MVIFTORASA-N 1 0 321.381 -0.308 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCOC1 ZINC001483050137 1011647077 /nfs/dbraw/zinc/64/70/77/1011647077.db2.gz FGHWRIFWRXYILC-HDOBRADBSA-N 1 0 311.357 -0.485 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@]1(F)CCOC1 ZINC001483050140 1011647141 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CC#CC[NH2+]C[C@H](O)CNC(=O)c1csc(NC(C)=O)n1 ZINC001497005296 1017189251 /nfs/dbraw/zinc/18/92/51/1017189251.db2.gz MLWZQLNNPOGEGR-JTQLQIEISA-N 1 0 310.379 -0.195 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001497009550 1017190330 /nfs/dbraw/zinc/19/03/30/1017190330.db2.gz HPVLAEDSKALFCA-UKRRQHHQSA-N 1 0 320.393 -0.838 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001497032035 1017208843 /nfs/dbraw/zinc/20/88/43/1017208843.db2.gz HCRHANPGNARDDU-ZDUSSCGKSA-N 1 0 315.377 -0.086 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2c[nH]nc21 ZINC001497032726 1017210125 /nfs/dbraw/zinc/21/01/25/1017210125.db2.gz MHZPYJWGPWBFGN-ZDUSSCGKSA-N 1 0 316.361 -0.107 20 30 DBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001497033224 1017212101 /nfs/dbraw/zinc/21/21/01/1017212101.db2.gz JTYORCVBBXTFBD-NEPJUHHUSA-N 1 0 318.439 -0.300 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C2(C(N)=O)CC2)C1=O ZINC001497259138 1017325053 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DBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001497451633 1017384124 /nfs/dbraw/zinc/38/41/24/1017384124.db2.gz RKNMCJLNMBCUFY-OLZOCXBDSA-N 1 0 310.398 -0.121 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C)n1cccn1 ZINC001497536726 1017408836 /nfs/dbraw/zinc/40/88/36/1017408836.db2.gz XXQTWXBDSRMNIW-BEVHLOIGSA-N 1 0 317.393 -0.156 20 30 DBEDRO CCCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001497550037 1017417441 /nfs/dbraw/zinc/41/74/41/1017417441.db2.gz WKFQVEXXJGHCDU-ZWNMCFTASA-N 1 0 309.370 -0.356 20 30 DBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cc[nH]c(=O)c1 ZINC001497560560 1017418714 /nfs/dbraw/zinc/41/87/14/1017418714.db2.gz WCWLAFFZWPZPRG-ONEGZZNKSA-N 1 0 304.350 -0.035 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1nccn1CC ZINC001497569059 1017425664 /nfs/dbraw/zinc/42/56/64/1017425664.db2.gz OSPAXGLQENKOLZ-YBJDMEARSA-N 1 0 317.393 -0.084 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)c2ncn(C)n2)C1=O ZINC001497576337 1017430140 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DBEDRO Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)ccc1F ZINC001571439002 1026005591 /nfs/dbraw/zinc/00/55/91/1026005591.db2.gz XQYSMSJLSDRPRU-LBPRGKRZSA-N 1 0 322.340 -0.546 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1(C(F)(F)F)CC1 ZINC001571441042 1026006241 /nfs/dbraw/zinc/00/62/41/1026006241.db2.gz PDNPPPKMWBFPJT-VIFPVBQESA-N 1 0 321.299 -0.855 20 30 DBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001571444684 1026015171 /nfs/dbraw/zinc/01/51/71/1026015171.db2.gz QGAURIWHMDFPCQ-LBPRGKRZSA-N 1 0 321.381 -0.667 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)cn1 ZINC001571446116 1026016246 /nfs/dbraw/zinc/01/62/46/1026016246.db2.gz XSESQMFQSXGGHH-KGLIPLIRSA-N 1 0 316.361 -0.978 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1nnn(C(C)C)c1C ZINC001571444513 1026016289 /nfs/dbraw/zinc/01/62/89/1026016289.db2.gz MNJJIWICHVHBOK-CYBMUJFWSA-N 1 0 323.397 -0.502 20 30 DBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001571446062 1026016709 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C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)[C@H]1C ZINC001571453124 1026027159 /nfs/dbraw/zinc/02/71/59/1026027159.db2.gz YHSHBJAKLKVZGA-GXTWGEPZSA-N 1 0 317.393 -0.709 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncoc2C)[C@@H]1C ZINC001571450745 1026027245 /nfs/dbraw/zinc/02/72/45/1026027245.db2.gz IZQNMWBPUOCVBV-ZYHUDNBSSA-N 1 0 304.350 -0.075 20 30 DBEDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)Cc1cccnc1 ZINC001571474752 1026035609 /nfs/dbraw/zinc/03/56/09/1026035609.db2.gz JAAYRHFQWFQLAB-OCCSQVGLSA-N 1 0 315.377 -0.157 20 30 DBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccn(C)n1 ZINC001571467579 1026035702 /nfs/dbraw/zinc/03/57/02/1026035702.db2.gz NUJPNDWGNCHTJO-MNOVXSKESA-N 1 0 304.354 -0.748 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1C ZINC001571467178 1026037269 /nfs/dbraw/zinc/03/72/69/1026037269.db2.gz HHJFLUIVMIARDG-ZYHUDNBSSA-N 1 0 304.350 -0.298 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COCC(F)F)C1 ZINC001571483359 1026038986 /nfs/dbraw/zinc/03/89/86/1026038986.db2.gz QCLLYWDSCLKXLW-MNOVXSKESA-N 1 0 317.336 -0.404 20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(=O)NCC)C[C@H]2C)nn1 ZINC001571487994 1026043802 /nfs/dbraw/zinc/04/38/02/1026043802.db2.gz YORAGJZWWAPSJC-NEPJUHHUSA-N 1 0 320.397 -0.207 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC001571490096 1026045484 /nfs/dbraw/zinc/04/54/84/1026045484.db2.gz ZLPHIRVBWZUZHI-RYUDHWBXSA-N 1 0 305.382 -0.167 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2[nH]cnc2C)C1 ZINC001571495720 1026046883 /nfs/dbraw/zinc/04/68/83/1026046883.db2.gz UTWIBLZXWYCVGD-PWSUYJOCSA-N 1 0 303.366 -0.340 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001571507928 1026054092 /nfs/dbraw/zinc/05/40/92/1026054092.db2.gz YPLLJFLRUAIWAJ-BFHYXJOUSA-N 1 0 307.394 -0.272 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCOC)C[C@@H]21 ZINC001571507875 1026056916 /nfs/dbraw/zinc/05/69/16/1026056916.db2.gz YAHSGOFISNHEEQ-SOUVJXGZSA-N 1 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ZINC001571561512 1026069801 /nfs/dbraw/zinc/06/98/01/1026069801.db2.gz XGTOXDAXGQSNAL-LLVKDONJSA-N 1 0 321.406 -0.272 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC001571566476 1026071012 /nfs/dbraw/zinc/07/10/12/1026071012.db2.gz TZJUGOLZGWPXOO-GFCCVEGCSA-N 1 0 317.393 -0.472 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC1(C)C ZINC001571567330 1026071434 /nfs/dbraw/zinc/07/14/34/1026071434.db2.gz LYJFJHGJQNWIIP-QWHCGFSZSA-N 1 0 307.394 -0.259 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001571571330 1026071560 /nfs/dbraw/zinc/07/15/60/1026071560.db2.gz ATWKGXBWODHFEJ-GHMZBOCLSA-N 1 0 301.362 -0.719 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC1(C)C ZINC001571559872 1026072771 /nfs/dbraw/zinc/07/27/71/1026072771.db2.gz NHYSFWUJIFVSJF-GFCCVEGCSA-N 1 0 307.398 -0.016 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1snnc1C ZINC001571573100 1026075458 /nfs/dbraw/zinc/07/54/58/1026075458.db2.gz DCPGNYDHFADPJZ-LLVKDONJSA-N 1 0 312.395 -0.481 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(F)nc1 ZINC001571576718 1026078405 /nfs/dbraw/zinc/07/84/05/1026078405.db2.gz VVJJYEOGSRAKPV-GFCCVEGCSA-N 1 0 324.356 -0.455 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cccnc1 ZINC001571577870 1026079355 /nfs/dbraw/zinc/07/93/55/1026079355.db2.gz SIPLVAYYNZRBKQ-HNNXBMFYSA-N 1 0 305.378 -0.317 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CC1CCC1 ZINC001571575969 1026079386 /nfs/dbraw/zinc/07/93/86/1026079386.db2.gz IBJJAWGSCFRNEJ-TZMCWYRMSA-N 1 0 309.410 -0.277 20 30 DBEDRO CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC)cn1 ZINC001571576519 1026081347 /nfs/dbraw/zinc/08/13/47/1026081347.db2.gz RHHVVIHEXPCBCT-CQSZACIVSA-N 1 0 308.382 -0.425 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC1(F)F ZINC001571582326 1026085478 /nfs/dbraw/zinc/08/54/78/1026085478.db2.gz DQHGHZOLQMBCPZ-GHMZBOCLSA-N 1 0 317.336 -0.810 20 30 DBEDRO CCc1nn(C)cc1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001571583390 1026086937 /nfs/dbraw/zinc/08/69/37/1026086937.db2.gz ZSPLUKQOWYQGEE-CYBMUJFWSA-N 1 0 322.409 -0.345 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001571586029 1026092829 /nfs/dbraw/zinc/09/28/29/1026092829.db2.gz GDYNHJQMCRKLLE-OLZOCXBDSA-N 1 0 311.426 -0.031 20 30 DBEDRO CN(C[C@@H](O)C[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CC=CCC1 ZINC001571587478 1026095500 /nfs/dbraw/zinc/09/55/00/1026095500.db2.gz KPZLHSAOJNPBDC-KBPBESRZSA-N 1 0 322.409 -0.219 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001571590119 1026096864 /nfs/dbraw/zinc/09/68/64/1026096864.db2.gz LJSYCBWDUPGMOY-NWDGAFQWSA-N 1 0 308.386 -0.780 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1nn(C)c2c1CCCC2 ZINC001571590285 1026098628 /nfs/dbraw/zinc/09/86/28/1026098628.db2.gz OZZZRNMRFODRHA-LBPRGKRZSA-N 1 0 304.394 -0.045 20 30 DBEDRO CN(C[C@H](O)C[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)C(N)=O ZINC001571589122 1026099078 /nfs/dbraw/zinc/09/90/78/1026099078.db2.gz QNIPFKPGCKXWQG-CYBMUJFWSA-N 1 0 323.780 -0.414 20 30 DBEDRO C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](O)COC)C1 ZINC001571590739 1026100559 /nfs/dbraw/zinc/10/05/59/1026100559.db2.gz ZHGJYYZDXSEGBW-QWHCGFSZSA-N 1 0 300.399 -0.241 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)[nH]c1C ZINC001571591246 1026100841 /nfs/dbraw/zinc/10/08/41/1026100841.db2.gz JJMXVFRLFSFZHV-CYBMUJFWSA-N 1 0 322.409 -0.044 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1nc(C)oc1C ZINC001571592367 1026100870 /nfs/dbraw/zinc/10/08/70/1026100870.db2.gz HVUKTDDAUYSVCA-ZDUSSCGKSA-N 1 0 309.366 -0.036 20 30 DBEDRO C#CCOc1ccc(C(=O)N(C)C[C@@H](O)C[NH2+]CCO)cc1 ZINC001571591202 1026101873 /nfs/dbraw/zinc/10/18/73/1026101873.db2.gz INNDTESSPMWMTC-AWEZNQCLSA-N 1 0 306.362 -0.287 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCc1ccc(F)cc1 ZINC001571590992 1026103358 /nfs/dbraw/zinc/10/33/58/1026103358.db2.gz DXKQFVYGWXIKKP-AWEZNQCLSA-N 1 0 321.352 -0.516 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1nc(C2CC2)nn1C ZINC001571595918 1026104785 /nfs/dbraw/zinc/10/47/85/1026104785.db2.gz IKVUZVZUUSCUFF-CYBMUJFWSA-N 1 0 319.409 -0.333 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001571593410 1026105033 /nfs/dbraw/zinc/10/50/33/1026105033.db2.gz FDACGLCVPNTQCF-RYUDHWBXSA-N 1 0 312.414 -0.498 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001571593887 1026105849 /nfs/dbraw/zinc/10/58/49/1026105849.db2.gz OZUJMEOHMUYDOM-NSHDSACASA-N 1 0 303.790 -0.326 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC001571593151 1026106200 /nfs/dbraw/zinc/10/62/00/1026106200.db2.gz ZMFLZTNDXHTMSD-TZMCWYRMSA-N 1 0 316.423 -0.614 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001571597757 1026107466 /nfs/dbraw/zinc/10/74/66/1026107466.db2.gz SSWRGWYQGLPBMP-STQMWFEESA-N 1 0 307.398 -0.175 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCCOC1 ZINC001571596404 1026109330 /nfs/dbraw/zinc/10/93/30/1026109330.db2.gz QWUPHMOKVHWNCR-HUUCEWRRSA-N 1 0 312.410 -0.138 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001571598032 1026109646 /nfs/dbraw/zinc/10/96/46/1026109646.db2.gz XYCCPLUPBQLBBL-LLVKDONJSA-N 1 0 304.350 -0.774 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001571596886 1026110183 /nfs/dbraw/zinc/11/01/83/1026110183.db2.gz BANPTQGRSQELRN-GFCCVEGCSA-N 1 0 316.361 -0.065 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)N1CCCC1=O ZINC001571597957 1026110596 /nfs/dbraw/zinc/11/05/96/1026110596.db2.gz WNUBFBWYMBFCST-HIFRSBDPSA-N 1 0 309.410 -0.325 20 30 DBEDRO CN(C[C@@H](O)C[N@H+](C)CCNC(=O)C1CC1)C(=O)C#CC1CC1 ZINC001571601040 1026111217 /nfs/dbraw/zinc/11/12/17/1026111217.db2.gz CTGIRBARSNIXQL-HNNXBMFYSA-N 1 0 321.421 -0.323 20 30 DBEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001571601784 1026111639 /nfs/dbraw/zinc/11/16/39/1026111639.db2.gz SCADXLDYORTXMX-CABCVRRESA-N 1 0 312.410 -0.188 20 30 DBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCN1C(=O)CCC1=O ZINC001571600190 1026114731 /nfs/dbraw/zinc/11/47/31/1026114731.db2.gz MUZXIZOAHUNHDV-RYUDHWBXSA-N 1 0 324.381 -0.954 20 30 DBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001571601654 1026114906 /nfs/dbraw/zinc/11/49/06/1026114906.db2.gz POYAIMCSOFYMHK-AWEZNQCLSA-N 1 0 320.393 -0.200 20 30 DBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001571604178 1026117163 /nfs/dbraw/zinc/11/71/63/1026117163.db2.gz SBTNTONJIUZSFP-GFCCVEGCSA-N 1 0 306.366 -0.337 20 30 DBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2nnnn2c1 ZINC001571604425 1026118646 /nfs/dbraw/zinc/11/86/46/1026118646.db2.gz XUTVUQVMYNAOFL-LBPRGKRZSA-N 1 0 302.338 -0.878 20 30 DBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001571607925 1026122901 /nfs/dbraw/zinc/12/29/01/1026122901.db2.gz VBOWNLWFCCKLCF-LBPRGKRZSA-N 1 0 317.349 -0.567 20 30 DBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCOCC1 ZINC001571608147 1026124302 /nfs/dbraw/zinc/12/43/02/1026124302.db2.gz ZRUWXVLKMLNTLZ-CQSZACIVSA-N 1 0 311.426 -0.519 20 30 DBEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001571607034 1026124889 /nfs/dbraw/zinc/12/48/89/1026124889.db2.gz ASGBKBAJRMSPEM-KBPBESRZSA-N 1 0 324.425 -0.306 20 30 DBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1C(N)=O ZINC001571608969 1026125614 /nfs/dbraw/zinc/12/56/14/1026125614.db2.gz TZVXQHGASYUAIX-JTQLQIEISA-N 1 0 307.354 -0.874 20 30 DBEDRO COCC#CC[N@H+](C)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)C(C)C ZINC001571613915 1026127602 /nfs/dbraw/zinc/12/76/02/1026127602.db2.gz NLAFPOAYKWQVSE-AWEZNQCLSA-N 1 0 324.425 -0.171 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)CC(N)=O)CC1 ZINC001571643075 1026130427 /nfs/dbraw/zinc/13/04/27/1026130427.db2.gz RDMWUHBITXZOEV-VXGBXAGGSA-N 1 0 324.425 -0.231 20 30 DBEDRO CC#CC[NH2+]C[C@H](NC(=O)c1cn(CC(N)=O)nn1)C(C)(C)C ZINC001571639688 1026131217 /nfs/dbraw/zinc/13/12/17/1026131217.db2.gz UMGNXSKSTYKCFW-LBPRGKRZSA-N 1 0 320.397 -0.479 20 30 DBEDRO C#CC[NH2+]C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C(C)(C)C ZINC001571634999 1026133251 /nfs/dbraw/zinc/13/32/51/1026133251.db2.gz UDHJCFHEAPOAMY-JTQLQIEISA-N 1 0 322.365 -0.839 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC001571656146 1026134868 /nfs/dbraw/zinc/13/48/68/1026134868.db2.gz KTFOJKFDKUSZNA-HIFPTAJRSA-N 1 0 317.393 -0.249 20 30 DBEDRO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC001571645689 1026135403 /nfs/dbraw/zinc/13/54/03/1026135403.db2.gz PEJNRMSJJYUTNH-NEPJUHHUSA-N 1 0 315.439 -0.226 20 30 DBEDRO CN(C(=O)c1cn(C)cn1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001571656451 1026135609 /nfs/dbraw/zinc/13/56/09/1026135609.db2.gz VSGJJSSBONFBLP-UHFFFAOYSA-N 1 0 304.354 -0.748 20 30 DBEDRO C=CCCC[NH2+]C1CC(N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001571665600 1026138286 /nfs/dbraw/zinc/13/82/86/1026138286.db2.gz DGFANZGBQCHUFA-UHFFFAOYSA-N 1 0 320.397 -0.078 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)C#CC(C)C ZINC001571673013 1026140715 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CC(C)(C)C#CC(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001326976590 807227179 /nfs/dbraw/zinc/22/71/79/807227179.db2.gz AMZCHCQKAXUJBC-AWEZNQCLSA-N 1 0 312.410 -0.138 20 30 DBEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792768 815101020 /nfs/dbraw/zinc/10/10/20/815101020.db2.gz VENGWRXIRJENCH-GJZGRUSLSA-N 1 0 318.421 -0.636 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001326978847 807228128 /nfs/dbraw/zinc/22/81/28/807228128.db2.gz LPURDTMUNMIVJU-ZFWWWQNUSA-N 1 0 320.393 -0.225 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccns2)CCO1 ZINC001326988799 807229266 /nfs/dbraw/zinc/22/92/66/807229266.db2.gz QGZMUSGUIHWORX-LLVKDONJSA-N 1 0 324.406 -0.124 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)CC[C@@H]21 ZINC001036792335 815101169 /nfs/dbraw/zinc/10/11/69/815101169.db2.gz NXJIIDTWDXMERT-CABCVRRESA-N 1 0 318.421 -0.636 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CCCCNC(N)=O)CCO1 ZINC001327003891 807231317 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DBEDRO C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1C ZINC001327860620 807349214 /nfs/dbraw/zinc/34/92/14/807349214.db2.gz JCUXGLYZCMEKCR-RYUDHWBXSA-N 1 0 320.397 -0.220 20 30 DBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1C ZINC001327868278 807349834 /nfs/dbraw/zinc/34/98/34/807349834.db2.gz NJRPYGURLQYEBF-RYUDHWBXSA-N 1 0 303.428 -0.110 20 30 DBEDRO C[C@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001327866681 807350137 /nfs/dbraw/zinc/35/01/37/807350137.db2.gz DLCDUDFPLFOZPZ-WCQYABFASA-N 1 0 318.381 -0.581 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1C ZINC001327899838 807352281 /nfs/dbraw/zinc/35/22/81/807352281.db2.gz FPXYTJPSLDRTBI-DKBOKBLXSA-N 1 0 307.394 -0.383 20 30 DBEDRO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001327904134 807352936 /nfs/dbraw/zinc/35/29/36/807352936.db2.gz QBEBYLYSJLGYRL-STQMWFEESA-N 1 0 309.414 -0.596 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2c(C)cnn2C)C[C@@H]1C ZINC001327907414 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CC#CCNCc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372651 827440829 /nfs/dbraw/zinc/44/08/29/827440829.db2.gz RDKYEFGVMHNSGC-UHFFFAOYSA-N 1 0 316.409 -0.130 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001164273543 833199058 /nfs/dbraw/zinc/19/90/58/833199058.db2.gz MBCXIFGJJQUCEX-RFQIPJPRSA-N 1 0 307.394 -0.238 20 30 DBEDRO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CNC(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105594915 827458410 /nfs/dbraw/zinc/45/84/10/827458410.db2.gz XJNQRGLYOCRCNA-HLSYRSCKSA-N 1 0 322.409 -0.746 20 30 DBEDRO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105610949 827459334 /nfs/dbraw/zinc/45/93/34/827459334.db2.gz ODKNSDOTCIEOFT-UTJXIGIESA-N 1 0 321.421 -0.149 20 30 DBEDRO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001105610941 827459383 /nfs/dbraw/zinc/45/93/83/827459383.db2.gz ODKNSDOTCIEOFT-BQGCOEIASA-N 1 0 321.421 -0.149 20 30 DBEDRO C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC(N)=O)[C@@H]2C(C)C)C[C@H]1O ZINC001105610587 827459526 /nfs/dbraw/zinc/45/95/26/827459526.db2.gz LHRNWQKEZBQGID-BQGCOEIASA-N 1 0 321.421 -0.149 20 30 DBEDRO C#CCNC(=O)CN(C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001275699796 833202271 /nfs/dbraw/zinc/20/22/71/833202271.db2.gz ZSTONTFKHRWNHL-LBPRGKRZSA-N 1 0 305.382 -0.852 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCN(C)C1=O ZINC001164295394 833202505 /nfs/dbraw/zinc/20/25/05/833202505.db2.gz NNGCXYDUWBNNGO-VXGBXAGGSA-N 1 0 310.398 -0.749 20 30 DBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCCN1C(=O)CNC1=O ZINC001275712371 833203968 /nfs/dbraw/zinc/20/39/68/833203968.db2.gz HFXICDYIWDOQEN-GFCCVEGCSA-N 1 0 308.382 -0.222 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105754559 827486859 /nfs/dbraw/zinc/48/68/59/827486859.db2.gz HHEWJLXXNMSNED-VXGBXAGGSA-N 1 0 304.354 -0.669 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCOC)C[C@H]1C ZINC001105753149 827487147 /nfs/dbraw/zinc/48/71/47/827487147.db2.gz LADSDMAKQRJIIF-MGPQQGTHSA-N 1 0 309.410 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C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC001275827224 833212155 /nfs/dbraw/zinc/21/21/55/833212155.db2.gz GVKATHJAJZYZCF-RYUDHWBXSA-N 1 0 324.381 -0.987 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@@H](O)CNc2nccnc2C#N)CC1 ZINC001105882933 827543185 /nfs/dbraw/zinc/54/31/85/827543185.db2.gz NPSPYOXABUNFOM-LBPRGKRZSA-N 1 0 318.381 -0.421 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O ZINC001275827223 833212408 /nfs/dbraw/zinc/21/24/08/833212408.db2.gz GVKATHJAJZYZCF-NWDGAFQWSA-N 1 0 324.381 -0.987 20 30 DBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001275843553 833213712 /nfs/dbraw/zinc/21/37/12/833213712.db2.gz HZJZIUOVIJMPOM-ZIAGYGMSSA-N 1 0 309.410 -0.059 20 30 DBEDRO C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)CC(=O)NCC#N ZINC001275851463 833213916 /nfs/dbraw/zinc/21/39/16/833213916.db2.gz WOESGIOUTGFSQD-NSHDSACASA-N 1 0 318.381 -0.481 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCCC)C[C@H]1C ZINC001105904042 827550119 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ZINC001175837922 833397373 /nfs/dbraw/zinc/39/73/73/833397373.db2.gz IYNGOWRLKLUZAK-GFCCVEGCSA-N 1 0 318.381 -0.005 20 30 DBEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001120423445 829369566 /nfs/dbraw/zinc/36/95/66/829369566.db2.gz UOBCTHWPZYMCBN-OLZOCXBDSA-N 1 0 322.409 -0.523 20 30 DBEDRO C=CCOCC[NH2+]CCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001176011159 833399080 /nfs/dbraw/zinc/39/90/80/833399080.db2.gz KIKIGWGICCETMF-UHFFFAOYSA-N 1 0 310.354 -0.602 20 30 DBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001176050154 833399297 /nfs/dbraw/zinc/39/92/97/833399297.db2.gz PUOBRYHFLIFTLH-LBPRGKRZSA-N 1 0 308.382 -0.174 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)COC)C2)C1 ZINC001120488978 829382006 /nfs/dbraw/zinc/38/20/06/829382006.db2.gz HKWBGSQBQWUCBK-MPXNVAGNSA-N 1 0 307.394 -0.212 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)COC)C2)C1 ZINC001120488977 829382066 /nfs/dbraw/zinc/38/20/66/829382066.db2.gz HKWBGSQBQWUCBK-KWDKGFIESA-N 1 0 307.394 -0.212 20 30 DBEDRO COCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120496325 829383610 /nfs/dbraw/zinc/38/36/10/829383610.db2.gz VRKHAEGNOUZQJT-UHFFFAOYSA-N 1 0 308.382 -0.320 20 30 DBEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001120519820 829388410 /nfs/dbraw/zinc/38/84/10/829388410.db2.gz DXBCSHZHLVQDNS-CQSZACIVSA-N 1 0 316.361 -0.379 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cncnc1CC ZINC001176241147 833402372 /nfs/dbraw/zinc/40/23/72/833402372.db2.gz TVCRVMFZAPJQGI-GFCCVEGCSA-N 1 0 317.393 -0.114 20 30 DBEDRO C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1nc(=O)n(C)[nH]1)C2 ZINC001120834456 829406693 /nfs/dbraw/zinc/40/66/93/829406693.db2.gz HNCLXUZVUDBHJA-YMPWGHJTSA-N 1 0 318.381 -0.215 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCN1CCCC1=O ZINC001176342099 833404438 /nfs/dbraw/zinc/40/44/38/833404438.db2.gz FQQHEZWKNCQSAZ-CYBMUJFWSA-N 1 0 322.409 -0.767 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCn1cccn1 ZINC001176396837 833406386 /nfs/dbraw/zinc/40/63/86/833406386.db2.gz NHXAEOJSQXQSFP-UHFFFAOYSA-N 1 0 305.382 -0.491 20 30 DBEDRO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176485588 833407600 /nfs/dbraw/zinc/40/76/00/833407600.db2.gz HBASRTLMTQYHSM-LBPRGKRZSA-N 1 0 308.382 -0.174 20 30 DBEDRO C[C@@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)C(=O)NC1(C#N)CCC1 ZINC001176505802 833407768 /nfs/dbraw/zinc/40/77/68/833407768.db2.gz VALNYQUNUNHWGH-VXGBXAGGSA-N 1 0 320.393 -0.178 20 30 DBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001276144548 833408269 /nfs/dbraw/zinc/40/82/69/833408269.db2.gz WQEBHMWTQYGTHC-HIFRSBDPSA-N 1 0 322.409 -0.121 20 30 DBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)CNS(=O)(=O)CC)C2)C1 ZINC001121189189 829443826 /nfs/dbraw/zinc/44/38/26/829443826.db2.gz IWHHCVFIXDUTKA-UHFFFAOYSA-N 1 0 313.423 -0.424 20 30 DBEDRO C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)c1ccn(C)n1 ZINC001176564334 833408903 /nfs/dbraw/zinc/40/89/03/833408903.db2.gz OERGXPGMWHDXPT-GFCCVEGCSA-N 1 0 320.397 -0.062 20 30 DBEDRO C=CC[NH2+]CCCN(C)C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001276162257 833409056 /nfs/dbraw/zinc/40/90/56/833409056.db2.gz OHAZLRLLFJCOAJ-UHFFFAOYSA-N 1 0 304.358 -0.068 20 30 DBEDRO C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)c1ccn(C)n1 ZINC001176564335 833409133 /nfs/dbraw/zinc/40/91/33/833409133.db2.gz OERGXPGMWHDXPT-LBPRGKRZSA-N 1 0 320.397 -0.062 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 ZINC001121241019 829451194 /nfs/dbraw/zinc/45/11/94/829451194.db2.gz LLUSKNOLHMBHTN-ZIAGYGMSSA-N 1 0 303.366 -0.064 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001121241290 829451822 /nfs/dbraw/zinc/45/18/22/829451822.db2.gz LWNCHJQQRZESID-NWDGAFQWSA-N 1 0 304.354 -0.669 20 30 DBEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001121239956 829451841 /nfs/dbraw/zinc/45/18/41/829451841.db2.gz FSKSECVKVFXTQC-OCCSQVGLSA-N 1 0 303.366 -0.642 20 30 DBEDRO C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N ZINC001121242871 829453022 /nfs/dbraw/zinc/45/30/22/829453022.db2.gz RYKBXTWJDXGOGO-STQMWFEESA-N 1 0 303.366 -0.064 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ncccc1C#N ZINC001121242870 829453148 /nfs/dbraw/zinc/45/31/48/829453148.db2.gz RYKBXTWJDXGOGO-QWHCGFSZSA-N 1 0 303.366 -0.064 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCS1(=O)=O ZINC001176593656 833409648 /nfs/dbraw/zinc/40/96/48/833409648.db2.gz OLTQVHVEOMNYEI-GFCCVEGCSA-N 1 0 302.396 -0.691 20 30 DBEDRO COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCNC3=O)C2)C1 ZINC001121516860 829490811 /nfs/dbraw/zinc/49/08/11/829490811.db2.gz QSFVDSNAGVDGHL-XJIRZWNVSA-N 1 0 319.405 -0.211 20 30 DBEDRO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)C1 ZINC001121588997 829494485 /nfs/dbraw/zinc/49/44/85/829494485.db2.gz DSUPRYSLNIJAEW-QWHCGFSZSA-N 1 0 303.366 -0.206 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2ncccn2)CC1 ZINC001121649449 829500000 /nfs/dbraw/zinc/50/00/00/829500000.db2.gz ITDCLJLSXUHBPS-AWEZNQCLSA-N 1 0 317.393 -0.289 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Nc2ncccn2)CC1 ZINC001121649451 829500096 /nfs/dbraw/zinc/50/00/96/829500096.db2.gz ITDCLJLSXUHBPS-CQSZACIVSA-N 1 0 317.393 -0.289 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1cncc(OC)n1 ZINC001276265896 833415798 /nfs/dbraw/zinc/41/57/98/833415798.db2.gz XKOHPRDGURZCDG-UHFFFAOYSA-N 1 0 319.365 -0.714 20 30 DBEDRO Cc1cc(=O)[nH]c(C)c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176675239 833415922 /nfs/dbraw/zinc/41/59/22/833415922.db2.gz GSBTXBXYXOPWKJ-UHFFFAOYSA-N 1 0 319.365 -0.247 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)CC1 ZINC001121717742 829505519 /nfs/dbraw/zinc/50/55/19/829505519.db2.gz JFUYCKVGAVWYJJ-CYBMUJFWSA-N 1 0 318.381 -0.421 20 30 DBEDRO C[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)CC1 ZINC001121718962 829506806 /nfs/dbraw/zinc/50/68/06/829506806.db2.gz UOPLWKUQQJEFKB-ZDUSSCGKSA-N 1 0 318.381 -0.421 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1c(C)cc(=O)[nH]c1C ZINC001176676097 833416140 /nfs/dbraw/zinc/41/61/40/833416140.db2.gz RWAFRLAXCNURFJ-UHFFFAOYSA-N 1 0 318.377 -0.137 20 30 DBEDRO N#Cc1ccc(N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)nc1 ZINC001121805240 829512946 /nfs/dbraw/zinc/51/29/46/829512946.db2.gz AIZKKDZUWUBPCN-ZDUSSCGKSA-N 1 0 315.377 -0.062 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2ccncc2C#N)C1 ZINC001121806679 829514100 /nfs/dbraw/zinc/51/41/00/829514100.db2.gz MWSFBBLZUVTMJA-OCCSQVGLSA-N 1 0 317.393 -0.394 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 ZINC001121806363 829514319 /nfs/dbraw/zinc/51/43/19/829514319.db2.gz KIODAHNWUPZTQE-WCQYABFASA-N 1 0 318.381 -0.421 20 30 DBEDRO N#Cc1cccnc1N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001121806938 829514371 /nfs/dbraw/zinc/51/43/71/829514371.db2.gz OFXHCXVFMHRKOX-ZDUSSCGKSA-N 1 0 315.377 -0.062 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)Nc2ccc(C#N)nn2)C1 ZINC001121806443 829514650 /nfs/dbraw/zinc/51/46/50/829514650.db2.gz LUGZYCOATGFKOI-AAEUAGOBSA-N 1 0 318.381 -0.421 20 30 DBEDRO CC[C@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)[NH+](C)C ZINC001121811845 829515390 /nfs/dbraw/zinc/51/53/90/829515390.db2.gz HMQVVZFTZBHZGY-VXGBXAGGSA-N 1 0 306.370 -0.423 20 30 DBEDRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1cc(C)ncc1C#N)[NH+](C)C ZINC001121812433 829515527 /nfs/dbraw/zinc/51/55/27/829515527.db2.gz NGNAUQZQKKAYAL-ZFWWWQNUSA-N 1 0 319.409 -0.087 20 30 DBEDRO CC[C@H](C(=O)NC[C@H](CO)Nc1ccncc1C#N)[NH+](C)C ZINC001121812047 829515614 /nfs/dbraw/zinc/51/56/14/829515614.db2.gz IPVIBKPPVDJDIM-TZMCWYRMSA-N 1 0 305.382 -0.396 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)Nc2nccnc2C#N)C1 ZINC001121807571 829515853 /nfs/dbraw/zinc/51/58/53/829515853.db2.gz VVWDMFJGHBYCFY-NEPJUHHUSA-N 1 0 318.381 -0.421 20 30 DBEDRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1)[NH+](C)C ZINC001121812104 829515899 /nfs/dbraw/zinc/51/58/99/829515899.db2.gz KBKYYXBXOOQHLD-RYUDHWBXSA-N 1 0 306.370 -0.423 20 30 DBEDRO CC(C)[C@H](C(=O)NC[C@@H](CO)Nc1cncc(C#N)n1)[NH+](C)C ZINC001121838641 829518137 /nfs/dbraw/zinc/51/81/37/829518137.db2.gz JLPNSQDCGQCKIF-GXTWGEPZSA-N 1 0 320.397 -0.177 20 30 DBEDRO CCC[N@H+](C)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001121841192 829518765 /nfs/dbraw/zinc/51/87/65/829518765.db2.gz ZGVMQBVIBKSING-ZDUSSCGKSA-N 1 0 320.397 -0.031 20 30 DBEDRO NC(=O)NC(=O)C[NH2+]CCCNC(=O)CC#Cc1ccccc1 ZINC001176768154 833417994 /nfs/dbraw/zinc/41/79/94/833417994.db2.gz JURKPPAFBNXOJT-UHFFFAOYSA-N 1 0 316.361 -0.281 20 30 DBEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001176754612 833418117 /nfs/dbraw/zinc/41/81/17/833418117.db2.gz WSPQDLMNEMIHLM-LLVKDONJSA-N 1 0 308.386 -0.172 20 30 DBEDRO CC[N@H+](C)CCC(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001122027739 829541273 /nfs/dbraw/zinc/54/12/73/829541273.db2.gz JRXQSDDSJZONFY-CYBMUJFWSA-N 1 0 305.382 -0.394 20 30 DBEDRO CC#CC[NH2+]C1CC2(CC(NC(=O)CN3C(=O)CNC3=O)C2)C1 ZINC001122150677 829552111 /nfs/dbraw/zinc/55/21/11/829552111.db2.gz CARNIUICDBSOLN-UHFFFAOYSA-N 1 0 318.377 -0.422 20 30 DBEDRO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001122189688 829557577 /nfs/dbraw/zinc/55/75/77/829557577.db2.gz IXIHHQHYZYJISC-LBPRGKRZSA-N 1 0 320.397 -0.032 20 30 DBEDRO C[NH+](C)C1(C(=O)NC[C@@H](CO)Nc2ccncc2C#N)CCC1 ZINC001122190199 829557808 /nfs/dbraw/zinc/55/78/08/829557808.db2.gz NNVJAXFULKNULH-ZDUSSCGKSA-N 1 0 317.393 -0.252 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C1CN(CC(=O)N2CCC2)C1 ZINC001276381694 833423837 /nfs/dbraw/zinc/42/38/37/833423837.db2.gz OLNIKJJOIZBMKE-STQMWFEESA-N 1 0 307.394 -0.307 20 30 DBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001276397088 833424511 /nfs/dbraw/zinc/42/45/11/833424511.db2.gz NMTSPMMEDYCMGI-CQSZACIVSA-N 1 0 322.453 -0.097 20 30 DBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001122342598 829573502 /nfs/dbraw/zinc/57/35/02/829573502.db2.gz PUYXIAYCOWHNAP-OLZOCXBDSA-N 1 0 318.381 -0.278 20 30 DBEDRO C[NH+](C)CCCC(=O)NC[C@@H](CO)Nc1ccncc1C#N ZINC001122416620 829582463 /nfs/dbraw/zinc/58/24/63/829582463.db2.gz KFPQSFCJWAUUNZ-ZDUSSCGKSA-N 1 0 305.382 -0.394 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001176856085 833426513 /nfs/dbraw/zinc/42/65/13/833426513.db2.gz HQJZCQKUIBPEKJ-ZDUSSCGKSA-N 1 0 305.382 -0.414 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C1CCOCC1 ZINC001122492095 829590665 /nfs/dbraw/zinc/59/06/65/829590665.db2.gz FGIHHVXYQVDJMX-UHFFFAOYSA-N 1 0 310.398 -0.119 20 30 DBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001176856083 833426668 /nfs/dbraw/zinc/42/66/68/833426668.db2.gz HQJZCQKUIBPEKJ-CYBMUJFWSA-N 1 0 305.382 -0.414 20 30 DBEDRO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1 ZINC001122525244 829593264 /nfs/dbraw/zinc/59/32/64/829593264.db2.gz BECKDCGVSBUKRI-AAEUAGOBSA-N 1 0 318.381 -0.278 20 30 DBEDRO C[NH+](C)CCC(=O)NC[C@H](CO)Nc1ncc(C#N)cc1F ZINC001122542210 829595618 /nfs/dbraw/zinc/59/56/18/829595618.db2.gz FGOIUNWCCSTNGK-LLVKDONJSA-N 1 0 309.345 -0.067 20 30 DBEDRO C#CCNC(=O)CN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001276452693 833429801 /nfs/dbraw/zinc/42/98/01/833429801.db2.gz FBJGWQWRRDABTO-CZUORRHYSA-N 1 0 322.453 -0.242 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123186851 829646656 /nfs/dbraw/zinc/64/66/56/829646656.db2.gz OEZUWKCKYLXBGV-UHFFFAOYSA-N 1 0 309.326 -0.686 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123223617 829647524 /nfs/dbraw/zinc/64/75/24/829647524.db2.gz HEUBGCCGWMXSAE-SNVBAGLBSA-N 1 0 323.353 -0.297 20 30 DBEDRO O=C(Cn1cnnn1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001123303722 829651688 /nfs/dbraw/zinc/65/16/88/829651688.db2.gz BTIRWLYOVBCMCQ-UHFFFAOYSA-N 1 0 302.313 -0.430 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CNC(=O)C1CCC1 ZINC001176916810 833435582 /nfs/dbraw/zinc/43/55/82/833435582.db2.gz UBFKMJZCRSIFFN-LBPRGKRZSA-N 1 0 324.425 -0.311 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccn1C ZINC001123659829 829671678 /nfs/dbraw/zinc/67/16/78/829671678.db2.gz RKFPQSMDEGNUCA-LLVKDONJSA-N 1 0 321.381 -0.255 20 30 DBEDRO N#CCSCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001123792281 829678470 /nfs/dbraw/zinc/67/84/70/829678470.db2.gz QTZRZVRFBNMKBW-UHFFFAOYSA-N 1 0 314.396 -0.561 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123870135 829683412 /nfs/dbraw/zinc/68/34/12/829683412.db2.gz NDXCIHILRZIXNE-ZDUSSCGKSA-N 1 0 313.398 -0.468 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001276643341 833445976 /nfs/dbraw/zinc/44/59/76/833445976.db2.gz VBIHWEWBNGJEEO-WFASDCNBSA-N 1 0 311.357 -0.651 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123912346 829689144 /nfs/dbraw/zinc/68/91/44/829689144.db2.gz XJPLGRKQHVZQMD-SECBINFHSA-N 1 0 308.342 -0.871 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)n2cccn2)C1=O ZINC001123918128 829689882 /nfs/dbraw/zinc/68/98/82/829689882.db2.gz LESLYQIQCPURPP-QWHCGFSZSA-N 1 0 305.382 -0.063 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cccn1 ZINC001123918970 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C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129553138 830191052 /nfs/dbraw/zinc/19/10/52/830191052.db2.gz QGRYUXWLWHDCFL-HZSPNIEDSA-N 1 0 303.366 -0.178 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cc3n(n2)CCO3)C1=O ZINC001129558377 830191233 /nfs/dbraw/zinc/19/12/33/830191233.db2.gz WJGOFOHSYLZOSE-LLVKDONJSA-N 1 0 319.365 -0.618 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn2ccncc12 ZINC001129570305 830192173 /nfs/dbraw/zinc/19/21/73/830192173.db2.gz RIFXBKKPDXKYQD-LLVKDONJSA-N 1 0 316.365 -0.261 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 ZINC001129608744 830196968 /nfs/dbraw/zinc/19/69/68/830196968.db2.gz XKLUNQSQLHYIPP-MNOVXSKESA-N 1 0 317.378 -0.192 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129647095 830198910 /nfs/dbraw/zinc/19/89/10/830198910.db2.gz OZSKNIVMSUOOOU-MCIONIFRSA-N 1 0 321.381 -0.696 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129647111 830198995 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DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001129770357 830207762 /nfs/dbraw/zinc/20/77/62/830207762.db2.gz DTLIDZFJDBSDNR-CABCVRRESA-N 1 0 322.453 -0.050 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001129770114 830208600 /nfs/dbraw/zinc/20/86/00/830208600.db2.gz BAHNMUZFICZXAS-AWEZNQCLSA-N 1 0 308.426 -0.342 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@](C)(O)C=C)C[C@@H]1n1ccnn1 ZINC001129795309 830211054 /nfs/dbraw/zinc/21/10/54/830211054.db2.gz DSCOLNDUBPPLIK-YCPHGPKFSA-N 1 0 317.393 -0.030 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)C[C@](C)(O)C=C)C[C@@H]1n1ccnn1 ZINC001129795308 830211150 /nfs/dbraw/zinc/21/11/50/830211150.db2.gz DSCOLNDUBPPLIK-IJEWVQPXSA-N 1 0 317.393 -0.030 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001129790902 830211279 /nfs/dbraw/zinc/21/12/79/830211279.db2.gz NEFQNVJGJYABPD-ZFWWWQNUSA-N 1 0 320.437 -0.296 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CC(=O)NCC)C[C@@H]1n1ccnn1 ZINC001129798482 830212587 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DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1snnc1C1CC1 ZINC001129937267 830231363 /nfs/dbraw/zinc/23/13/63/830231363.db2.gz OZOUHTDVSFXOKH-UHFFFAOYSA-N 1 0 308.367 -0.625 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129957035 830236442 /nfs/dbraw/zinc/23/64/42/830236442.db2.gz SPBNJNCLQSNXMS-XQQFMLRXSA-N 1 0 318.381 -0.846 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@@H]1n1ccnn1 ZINC001129978263 830239035 /nfs/dbraw/zinc/23/90/35/830239035.db2.gz XUWWHZFEAUUJHX-VNHYZAJKSA-N 1 0 321.356 -0.229 20 30 DBEDRO C=CCCCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129986806 830240045 /nfs/dbraw/zinc/24/00/45/830240045.db2.gz NCWQSRWEWSEIBJ-UPJWGTAASA-N 1 0 320.397 -0.150 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnc2[nH]ccc2c1 ZINC001129986339 830240197 /nfs/dbraw/zinc/24/01/97/830240197.db2.gz UTTADELPGNJIHP-UHFFFAOYSA-N 1 0 300.322 -0.526 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002589 830244405 /nfs/dbraw/zinc/24/44/05/830244405.db2.gz JIENINGVMPXCKQ-RDBSUJKOSA-N 1 0 321.381 -0.696 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002588 830244753 /nfs/dbraw/zinc/24/47/53/830244753.db2.gz JIENINGVMPXCKQ-HZSPNIEDSA-N 1 0 321.381 -0.696 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@@H]1n1ccnn1 ZINC001130002481 830244802 /nfs/dbraw/zinc/24/48/02/830244802.db2.gz FJICLOZNLWKNSH-HZSPNIEDSA-N 1 0 321.381 -0.696 20 30 DBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOC)C[C@@H]1n1ccnn1 ZINC001130026571 830246758 /nfs/dbraw/zinc/24/67/58/830246758.db2.gz UWNLEKZSOSZXHQ-MCIONIFRSA-N 1 0 321.381 -0.696 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C1CC(OC)C1 ZINC001130023976 830247559 /nfs/dbraw/zinc/24/75/59/830247559.db2.gz CKNDSBMBKMAWHK-UHFFFAOYSA-N 1 0 310.398 -0.121 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 ZINC001130037948 830250390 /nfs/dbraw/zinc/25/03/90/830250390.db2.gz DMXCQLNTNFIOAL-OLZOCXBDSA-N 1 0 314.353 -0.915 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 ZINC001130037946 830250926 /nfs/dbraw/zinc/25/09/26/830250926.db2.gz DLCCUEYWPDZMNY-OLZOCXBDSA-N 1 0 316.369 -0.362 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1nccn1C ZINC001130041445 830251897 /nfs/dbraw/zinc/25/18/97/830251897.db2.gz MIIJWGGTWRKRGM-LBPRGKRZSA-N 1 0 323.397 -0.667 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041283 830252117 /nfs/dbraw/zinc/25/21/17/830252117.db2.gz HNYOQTJFOKSJIS-NWDGAFQWSA-N 1 0 310.398 -0.749 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc2n(n1)CCCC2 ZINC001130045656 830252718 /nfs/dbraw/zinc/25/27/18/830252718.db2.gz DVCJXMJACMGLGQ-UHFFFAOYSA-N 1 0 305.382 -0.159 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 ZINC001130045929 830253399 /nfs/dbraw/zinc/25/33/99/830253399.db2.gz DIVKZZNRWWHDJV-KGLIPLIRSA-N 1 0 311.349 -0.253 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc2n(n1)CCCC2 ZINC001130048494 830254083 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C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1n1ccnn1 ZINC001130153506 830271103 /nfs/dbraw/zinc/27/11/03/830271103.db2.gz WCPLFCQXCRUZID-OLZOCXBDSA-N 1 0 320.397 -0.149 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1n1ccnn1 ZINC001130158580 830271291 /nfs/dbraw/zinc/27/12/91/830271291.db2.gz METRXDAAINCGDQ-OLZOCXBDSA-N 1 0 313.365 -0.012 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001130167613 830272451 /nfs/dbraw/zinc/27/24/51/830272451.db2.gz YJMCKVQGZYPQDS-CYBMUJFWSA-N 1 0 319.409 -0.230 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC)[nH]1 ZINC001130173014 830274574 /nfs/dbraw/zinc/27/45/74/830274574.db2.gz BECZEFURMMZQJK-RYUDHWBXSA-N 1 0 321.381 -0.447 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001180635062 833596259 /nfs/dbraw/zinc/59/62/59/833596259.db2.gz VDJGWGXONCWBPX-SECBINFHSA-N 1 0 318.324 -0.156 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001130222063 830284484 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C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001132926936 830717344 /nfs/dbraw/zinc/71/73/44/830717344.db2.gz TWEQQKHINGDNQC-GFCCVEGCSA-N 1 0 317.393 -0.705 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001132926937 830717500 /nfs/dbraw/zinc/71/75/00/830717500.db2.gz TWEQQKHINGDNQC-LBPRGKRZSA-N 1 0 317.393 -0.705 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132923953 830717512 /nfs/dbraw/zinc/71/75/12/830717512.db2.gz UFQGVAYPQXWOCG-UHFFFAOYSA-N 1 0 318.337 -0.715 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H](F)C1 ZINC001132953884 830721712 /nfs/dbraw/zinc/72/17/12/830721712.db2.gz IMFGHCUTKRDDTJ-QWRGUYRKSA-N 1 0 314.361 -0.158 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2cccnc21 ZINC001132983586 830726450 /nfs/dbraw/zinc/72/64/50/830726450.db2.gz DBXZBXYNQCPCHB-JSGCOSHPSA-N 1 0 314.389 -0.045 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013346 830732892 /nfs/dbraw/zinc/73/28/92/830732892.db2.gz FCXLQBAGCLLRNF-UHFFFAOYSA-N 1 0 319.365 -0.710 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccc(F)c(F)c1 ZINC001133042912 830737547 /nfs/dbraw/zinc/73/75/47/830737547.db2.gz PEERBPIYPJXLSW-UHFFFAOYSA-N 1 0 309.316 -0.038 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)c(F)c1 ZINC001133111806 830741805 /nfs/dbraw/zinc/74/18/05/830741805.db2.gz OMFRISZBXHVKCR-LBPRGKRZSA-N 1 0 305.313 -0.415 20 30 DBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001133157806 830747672 /nfs/dbraw/zinc/74/76/72/830747672.db2.gz RDLBBVORUNVROQ-LBPRGKRZSA-N 1 0 312.414 -0.359 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001133173913 830749041 /nfs/dbraw/zinc/74/90/41/830749041.db2.gz IQQPROSRRZNLPS-QWHCGFSZSA-N 1 0 320.393 -0.364 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1conc1C ZINC001133236981 830760076 /nfs/dbraw/zinc/76/00/76/830760076.db2.gz RFONFCZDJICOBP-SNVBAGLBSA-N 1 0 323.353 -0.297 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccnc1OC ZINC001133273746 830762145 /nfs/dbraw/zinc/76/21/45/830762145.db2.gz ORYYGXLVGXXGGW-LLVKDONJSA-N 1 0 304.350 -0.453 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)CC[C@H]1C ZINC001133274061 830762361 /nfs/dbraw/zinc/76/23/61/830762361.db2.gz ARFXEIWVZVLDJS-OLZOCXBDSA-N 1 0 315.439 -0.415 20 30 DBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001133333448 830768453 /nfs/dbraw/zinc/76/84/53/830768453.db2.gz HPMRYFHDJKJRKW-RYUDHWBXSA-N 1 0 303.428 -0.204 20 30 DBEDRO C=CCC1(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001133395703 830772705 /nfs/dbraw/zinc/77/27/05/830772705.db2.gz XETZKSOQTGAJOD-UHFFFAOYSA-N 1 0 308.382 -0.010 20 30 DBEDRO C=CCC1(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CCC1 ZINC001133392075 830773297 /nfs/dbraw/zinc/77/32/97/830773297.db2.gz GFEOSESDAXKOOY-UHFFFAOYSA-N 1 0 322.409 -0.603 20 30 DBEDRO C=CCCC[NH2+]CCNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001133621827 830796790 /nfs/dbraw/zinc/79/67/90/830796790.db2.gz VFLPGUZBGTZENM-UHFFFAOYSA-N 1 0 301.372 -0.657 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Oc1cccnc1 ZINC001133625977 830798359 /nfs/dbraw/zinc/79/83/59/830798359.db2.gz VLJNQCJEWARPSE-LBPRGKRZSA-N 1 0 304.350 -0.696 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]CC(=O)NCC#N ZINC001133633093 830799674 /nfs/dbraw/zinc/79/96/74/830799674.db2.gz NKFIIQIFQBCFNM-NEPJUHHUSA-N 1 0 323.397 -0.879 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1 ZINC001133666286 830804311 /nfs/dbraw/zinc/80/43/11/830804311.db2.gz GLPJHDRVOJZTAS-GHMZBOCLSA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001133667518 830805326 /nfs/dbraw/zinc/80/53/26/830805326.db2.gz HAEOWQPAMYPEPY-NWDGAFQWSA-N 1 0 317.393 -0.327 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(C)c1C ZINC001133708157 830812560 /nfs/dbraw/zinc/81/25/60/830812560.db2.gz QNOPFXMQLREIIX-NEPJUHHUSA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cccn1 ZINC001133726245 830813530 /nfs/dbraw/zinc/81/35/30/830813530.db2.gz GBKUHJFLKKEHIN-UONOGXRCSA-N 1 0 319.409 -0.105 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1cccn1 ZINC001133726765 830814295 /nfs/dbraw/zinc/81/42/95/830814295.db2.gz OLKGLOVZNBFAKF-QWHCGFSZSA-N 1 0 320.397 -0.214 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772815 830823030 /nfs/dbraw/zinc/82/30/30/830823030.db2.gz CJXDQYDEQUQVOO-VXGBXAGGSA-N 1 0 322.409 -0.865 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC1CC1 ZINC001133779097 830824557 /nfs/dbraw/zinc/82/45/57/830824557.db2.gz KOSNKPLBEPMXMH-NWDGAFQWSA-N 1 0 310.398 -0.074 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ncsc1C1CC1 ZINC001133784291 830825010 /nfs/dbraw/zinc/82/50/10/830825010.db2.gz RRLQVQUSYPXATF-UHFFFAOYSA-N 1 0 307.379 -0.020 20 30 DBEDRO Cc1cn2ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc2n1 ZINC001133812636 830830789 /nfs/dbraw/zinc/83/07/89/830830789.db2.gz CWDKXPYOJZOHSQ-UHFFFAOYSA-N 1 0 314.349 -0.398 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001133831090 830832043 /nfs/dbraw/zinc/83/20/43/830832043.db2.gz RLOXIGQGCUHUSJ-GHMZBOCLSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001133866893 830842840 /nfs/dbraw/zinc/84/28/40/830842840.db2.gz OHGJKOKDUDUWCZ-GHMZBOCLSA-N 1 0 305.382 -0.046 20 30 DBEDRO Cc1ncc2n1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C2 ZINC001133869976 830843811 /nfs/dbraw/zinc/84/38/11/830843811.db2.gz PELIPFOJFMRIGY-LBPRGKRZSA-N 1 0 318.381 -0.901 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133877484 830848033 /nfs/dbraw/zinc/84/80/33/830848033.db2.gz ZOBCHKYOGCOIET-ZDUSSCGKSA-N 1 0 300.362 -0.748 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n(C)n1 ZINC001133880523 830848353 /nfs/dbraw/zinc/84/83/53/830848353.db2.gz KJBJNDZNJNIEMI-MNOVXSKESA-N 1 0 320.397 -0.145 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001133877392 830848456 /nfs/dbraw/zinc/84/84/56/830848456.db2.gz WUKRMOMUGYCCGD-CYBMUJFWSA-N 1 0 302.378 -0.196 20 30 DBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133909848 830853063 /nfs/dbraw/zinc/85/30/63/830853063.db2.gz RSIBRJYOHVFIOU-QWRGUYRKSA-N 1 0 311.386 -0.316 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133909325 830853305 /nfs/dbraw/zinc/85/33/05/830853305.db2.gz KACSUYWYLCLUGA-WDEREUQCSA-N 1 0 314.386 -0.483 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133912263 830853928 /nfs/dbraw/zinc/85/39/28/830853928.db2.gz YQCQNAWTBBZJES-NEPJUHHUSA-N 1 0 308.382 -0.986 20 30 DBEDRO Cc1ncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001133916047 830854260 /nfs/dbraw/zinc/85/42/60/830854260.db2.gz BYFVDMIVIILILV-VHSXEESVSA-N 1 0 306.370 -0.156 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCc2cnn(C)n2)C1=O ZINC001133918385 830855730 /nfs/dbraw/zinc/85/57/30/830855730.db2.gz SOZKHBPGGREJHL-CYBMUJFWSA-N 1 0 320.397 -0.760 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CC ZINC001133946040 830862644 /nfs/dbraw/zinc/86/26/44/830862644.db2.gz QBGRWZDMXNUJBX-VXGBXAGGSA-N 1 0 310.398 -0.865 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133952474 830864625 /nfs/dbraw/zinc/86/46/25/830864625.db2.gz DJNATOSEBJVCNN-SECBINFHSA-N 1 0 307.354 -0.876 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001133954439 830864887 /nfs/dbraw/zinc/86/48/87/830864887.db2.gz QJKMJSZYIMPVIM-WDEREUQCSA-N 1 0 318.381 -0.705 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001133975448 830868597 /nfs/dbraw/zinc/86/85/97/830868597.db2.gz ZQOXQNJCVNNSGK-NWDGAFQWSA-N 1 0 305.382 -0.426 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134014154 830874818 /nfs/dbraw/zinc/87/48/18/830874818.db2.gz OUTOLARLIZTWIF-UHFFFAOYSA-N 1 0 322.413 -0.132 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134024930 830879210 /nfs/dbraw/zinc/87/92/10/830879210.db2.gz JNMDRUMBURWSLH-JTQLQIEISA-N 1 0 322.365 -0.194 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccc(CC)cn1 ZINC001134084186 830886153 /nfs/dbraw/zinc/88/61/53/830886153.db2.gz VNZQWOOKFWVDIT-UHFFFAOYSA-N 1 0 302.378 -0.358 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)cn1 ZINC001134098627 830888168 /nfs/dbraw/zinc/88/81/68/830888168.db2.gz DMGIYSDUKGJTJG-QWRGUYRKSA-N 1 0 306.370 -0.454 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102753 830889056 /nfs/dbraw/zinc/88/90/56/830889056.db2.gz ZIRZCPXLNDLGAD-UTUOFQBUSA-N 1 0 324.381 -0.729 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134129613 830895009 /nfs/dbraw/zinc/89/50/09/830895009.db2.gz MLLAGAKOMJNJEF-FPMFFAJLSA-N 1 0 319.409 -0.080 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001134130010 830895258 /nfs/dbraw/zinc/89/52/58/830895258.db2.gz AZTPUVGXYFUVQO-NEPJUHHUSA-N 1 0 320.397 -0.673 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134128059 830895375 /nfs/dbraw/zinc/89/53/75/830895375.db2.gz UUSSXJVDXVJAQY-GJZGRUSLSA-N 1 0 311.426 -0.159 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCCC ZINC001134130126 830895789 /nfs/dbraw/zinc/89/57/89/830895789.db2.gz CNVARLODDJVKDK-CHWSQXEVSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001134131021 830896390 /nfs/dbraw/zinc/89/63/90/830896390.db2.gz PLAFEUIGNIWFHJ-WDEREUQCSA-N 1 0 320.397 -0.374 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC=C ZINC001134130409 830896486 /nfs/dbraw/zinc/89/64/86/830896486.db2.gz HHPHBUKURWMBAV-STQMWFEESA-N 1 0 322.409 -0.699 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134130425 830896798 /nfs/dbraw/zinc/89/67/98/830896798.db2.gz HMDSRQKUPLXAKB-VXGBXAGGSA-N 1 0 310.398 -0.913 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134130339 830896856 /nfs/dbraw/zinc/89/68/56/830896856.db2.gz GPTSHRAAUDQRNM-KGLIPLIRSA-N 1 0 307.394 -0.351 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001134131514 830897465 /nfs/dbraw/zinc/89/74/65/830897465.db2.gz XPHCQVIFNBMPCY-CHWSQXEVSA-N 1 0 319.409 -0.068 20 30 DBEDRO CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134142770 830899634 /nfs/dbraw/zinc/89/96/34/830899634.db2.gz GRAZENGJXAKUCX-GHMZBOCLSA-N 1 0 311.386 -0.975 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001134142779 830900041 /nfs/dbraw/zinc/90/00/41/830900041.db2.gz GSZKJQUIGBOCLC-NWDGAFQWSA-N 1 0 312.414 -0.312 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)c1N ZINC001134152449 830902080 /nfs/dbraw/zinc/90/20/80/830902080.db2.gz OKVKJNPOPXDTLP-QWRGUYRKSA-N 1 0 320.397 -0.762 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178801 830906391 /nfs/dbraw/zinc/90/63/91/830906391.db2.gz QYNOSGHJLDDPRA-CQSZACIVSA-N 1 0 324.425 -0.193 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ccnn1 ZINC001134193681 830907376 /nfs/dbraw/zinc/90/73/76/830907376.db2.gz OXIUKNIIXADXGZ-QWHCGFSZSA-N 1 0 322.413 -0.157 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]CC(=O)NCC#N ZINC001134193834 830907390 /nfs/dbraw/zinc/90/73/90/830907390.db2.gz PMXUZNLRSSNJGR-NEPJUHHUSA-N 1 0 321.385 -0.819 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1ccnn1 ZINC001134193836 830907395 /nfs/dbraw/zinc/90/73/95/830907395.db2.gz PMXUZNLRSSNJGR-RYUDHWBXSA-N 1 0 321.385 -0.819 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)cnn1 ZINC001134206378 830908503 /nfs/dbraw/zinc/90/85/03/830908503.db2.gz TUHJFEXQLWRCAZ-MNOVXSKESA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001134226617 830911017 /nfs/dbraw/zinc/91/10/17/830911017.db2.gz KMNJYQYNSRBQQP-UHFFFAOYSA-N 1 0 315.333 -0.262 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001134220340 830911194 /nfs/dbraw/zinc/91/11/94/830911194.db2.gz OJNOOCMQGLTDNS-UHFFFAOYSA-N 1 0 316.321 -0.371 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1ccnn1C ZINC001134224125 830911484 /nfs/dbraw/zinc/91/14/84/830911484.db2.gz PPCIBGCFMLTRGS-QWHCGFSZSA-N 1 0 319.409 -0.415 20 30 DBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240132 830912445 /nfs/dbraw/zinc/91/24/45/830912445.db2.gz MMRQLVORXDOVHJ-CHWSQXEVSA-N 1 0 309.410 -0.013 20 30 DBEDRO CCn1ncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134265227 830915693 /nfs/dbraw/zinc/91/56/93/830915693.db2.gz KWSAWANQYUHQMQ-QWRGUYRKSA-N 1 0 321.385 -0.576 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001134266010 830915903 /nfs/dbraw/zinc/91/59/03/830915903.db2.gz RXEQPTGRAAGGTJ-NWDGAFQWSA-N 1 0 320.397 -0.466 20 30 DBEDRO C#CCN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C1CC[NH+](C)CC1 ZINC001134265380 830915931 /nfs/dbraw/zinc/91/59/31/830915931.db2.gz FSVCFZQWBOGAHN-UHFFFAOYSA-N 1 0 305.338 -0.360 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1Cc2ccccc2C1 ZINC001134270022 830916948 /nfs/dbraw/zinc/91/69/48/830916948.db2.gz TVACKTFPQDDCIB-UHFFFAOYSA-N 1 0 300.362 -0.253 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134291855 830920072 /nfs/dbraw/zinc/92/00/72/830920072.db2.gz JNAWDAIZGXMPJL-SNVBAGLBSA-N 1 0 320.353 -0.804 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C#CC1CC1 ZINC001134321252 830921617 /nfs/dbraw/zinc/92/16/17/830921617.db2.gz GHXFXBZLCHABCS-VXGBXAGGSA-N 1 0 315.439 -0.178 20 30 DBEDRO Cc1c[nH]nc1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134307519 830921883 /nfs/dbraw/zinc/92/18/83/830921883.db2.gz MMSDGEDSUMDHMH-QWRGUYRKSA-N 1 0 306.370 -0.156 20 30 DBEDRO Cc1c[nH]nc1C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001134307517 830922096 /nfs/dbraw/zinc/92/20/96/830922096.db2.gz MMSDGEDSUMDHMH-GHMZBOCLSA-N 1 0 306.370 -0.156 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C#CC1CC1 ZINC001134325876 830922631 /nfs/dbraw/zinc/92/26/31/830922631.db2.gz JPNGHBIATZSNLD-GHMZBOCLSA-N 1 0 305.382 -0.105 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001134323124 830922739 /nfs/dbraw/zinc/92/27/39/830922739.db2.gz YQNXAGVHUSXCFX-NEPJUHHUSA-N 1 0 320.393 -0.176 20 30 DBEDRO Cc1cn(C)nc1C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134335187 830923602 /nfs/dbraw/zinc/92/36/02/830923602.db2.gz ZGFQUEUOKQCDGD-NWDGAFQWSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 ZINC001134338557 830923961 /nfs/dbraw/zinc/92/39/61/830923961.db2.gz XMUHEXHFCFTIRT-RYUDHWBXSA-N 1 0 320.397 -0.525 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351119 830924664 /nfs/dbraw/zinc/92/46/64/830924664.db2.gz CCPLHXHZHDQAFK-NEPJUHHUSA-N 1 0 303.428 -0.178 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134344936 830924816 /nfs/dbraw/zinc/92/48/16/830924816.db2.gz NMEQBWXHMBATRR-NWDGAFQWSA-N 1 0 310.398 -0.026 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134352372 830925554 /nfs/dbraw/zinc/92/55/54/830925554.db2.gz QCSZCZUHLMDJHA-MNOVXSKESA-N 1 0 312.370 -0.906 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C)[nH]c1=O ZINC001134365412 830928727 /nfs/dbraw/zinc/92/87/27/830928727.db2.gz MFYQLJUSZZMGOK-NSHDSACASA-N 1 0 304.350 -0.447 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C)[nH]c1=O ZINC001134365411 830928980 /nfs/dbraw/zinc/92/89/80/830928980.db2.gz MFYQLJUSZZMGOK-LLVKDONJSA-N 1 0 304.350 -0.447 20 30 DBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134397664 830934375 /nfs/dbraw/zinc/93/43/75/830934375.db2.gz RSDLCJGEDOAGAB-UHFFFAOYSA-N 1 0 305.382 -0.141 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499466 830940772 /nfs/dbraw/zinc/94/07/72/830940772.db2.gz DBPHNUUDSUDQOU-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134508312 830942826 /nfs/dbraw/zinc/94/28/26/830942826.db2.gz AIBJEJUMMNUPGL-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134508314 830942891 /nfs/dbraw/zinc/94/28/91/830942891.db2.gz AIBJEJUMMNUPGL-VXGBXAGGSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)c(C)c1Cl ZINC001134510114 830943969 /nfs/dbraw/zinc/94/39/69/830943969.db2.gz AZOXBVWNCVFWNZ-UHFFFAOYSA-N 1 0 311.773 -0.549 20 30 DBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539795 830947990 /nfs/dbraw/zinc/94/79/90/830947990.db2.gz FEZQUYUKZVHAOH-VXGBXAGGSA-N 1 0 308.382 -0.394 20 30 DBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539792 830948021 /nfs/dbraw/zinc/94/80/21/830948021.db2.gz FEZQUYUKZVHAOH-NEPJUHHUSA-N 1 0 308.382 -0.394 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001134546052 830949411 /nfs/dbraw/zinc/94/94/11/830949411.db2.gz VKYZEEKUBFBLNQ-CHWSQXEVSA-N 1 0 319.409 -0.035 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1c[nH]cn1 ZINC001134545941 830949976 /nfs/dbraw/zinc/94/99/76/830949976.db2.gz UCPDYIOIUUVWPQ-NWDGAFQWSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccnc1C(C)C ZINC001134575005 830952783 /nfs/dbraw/zinc/95/27/83/830952783.db2.gz XOLPSRMSXANVES-ZDUSSCGKSA-N 1 0 319.409 -0.150 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1csc2cncn21 ZINC001134625892 830957626 /nfs/dbraw/zinc/95/76/26/830957626.db2.gz SBONDHPSTJLQKR-UHFFFAOYSA-N 1 0 306.351 -0.645 20 30 DBEDRO C[C@H]1CCCC[C@@H]1OCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134631281 830958643 /nfs/dbraw/zinc/95/86/43/830958643.db2.gz UCKDYIFCOLFWMA-STQMWFEESA-N 1 0 310.398 -0.073 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134640821 830959436 /nfs/dbraw/zinc/95/94/36/830959436.db2.gz MZYNCXYYWBHRDC-LBPRGKRZSA-N 1 0 313.398 -0.422 20 30 DBEDRO Cc1ncn(C)c1C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134652028 830961713 /nfs/dbraw/zinc/96/17/13/830961713.db2.gz DTQHEMILBOATTC-QWRGUYRKSA-N 1 0 320.397 -0.145 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]c(=O)c1 ZINC001134677235 830968836 /nfs/dbraw/zinc/96/88/36/830968836.db2.gz XIAORHNWWOEUCY-UWVGGRQHSA-N 1 0 320.353 -0.692 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1csc(C)n1 ZINC001134703770 830970127 /nfs/dbraw/zinc/97/01/27/830970127.db2.gz ORTOAXQUILVJMB-UHFFFAOYSA-N 1 0 308.407 -0.161 20 30 DBEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770683 830977171 /nfs/dbraw/zinc/97/71/71/830977171.db2.gz PYZASFQCOBJBBI-NWDGAFQWSA-N 1 0 312.414 -0.312 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCOCCOC ZINC001134816317 830978597 /nfs/dbraw/zinc/97/85/97/830978597.db2.gz CFEAFRXYUOBPGE-CQSZACIVSA-N 1 0 315.414 -0.174 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001134816474 830978598 /nfs/dbraw/zinc/97/85/98/830978598.db2.gz DLNUSLSIEVVZFS-KBPBESRZSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001134812130 830978652 /nfs/dbraw/zinc/97/86/52/830978652.db2.gz FXWVXUMMWQIUDG-AWEZNQCLSA-N 1 0 324.425 -0.311 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001134812647 830978708 /nfs/dbraw/zinc/97/87/08/830978708.db2.gz OOWDYVYZRBICIJ-AWEZNQCLSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCn1cncn1 ZINC001134817205 830979122 /nfs/dbraw/zinc/97/91/22/830979122.db2.gz QHDPYMVWNFLJQH-CYBMUJFWSA-N 1 0 308.386 -0.545 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001134816732 830979625 /nfs/dbraw/zinc/97/96/25/830979625.db2.gz IAGRAKWATLKZLF-CHWSQXEVSA-N 1 0 310.398 -0.558 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001134816998 830979681 /nfs/dbraw/zinc/97/96/81/830979681.db2.gz KYGSTOYDAUZTLX-CYBMUJFWSA-N 1 0 310.398 -0.558 20 30 DBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCCC ZINC001134816971 830979813 /nfs/dbraw/zinc/97/98/13/830979813.db2.gz JZWPLWZRQYTSRO-ZDUSSCGKSA-N 1 0 312.414 -0.311 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nc(C)ncc1Cl ZINC001134827674 830980104 /nfs/dbraw/zinc/98/01/04/830980104.db2.gz RTZCRDHXDVIUIK-UHFFFAOYSA-N 1 0 309.757 -0.493 20 30 DBEDRO C=CCCCCC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829235 830980326 /nfs/dbraw/zinc/98/03/26/830980326.db2.gz FAYQJWMWPXRMPN-ZDUSSCGKSA-N 1 0 312.414 -0.181 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(=O)NC(C)C ZINC001134838967 830981613 /nfs/dbraw/zinc/98/16/13/830981613.db2.gz GYOLSJHYUNAMOR-KBPBESRZSA-N 1 0 310.442 -0.051 20 30 DBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCCNC1=O ZINC001134848299 830983134 /nfs/dbraw/zinc/98/31/34/830983134.db2.gz MYQJEGPJSIJUOG-KBPBESRZSA-N 1 0 324.425 -0.076 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C)nc1OC ZINC001134881365 830987997 /nfs/dbraw/zinc/98/79/97/830987997.db2.gz ZHRJQEVBQAAABJ-LBPRGKRZSA-N 1 0 318.377 -0.144 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134878060 830988066 /nfs/dbraw/zinc/98/80/66/830988066.db2.gz QGXCJISMEVRFMU-STQMWFEESA-N 1 0 322.409 -0.911 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911415 830990992 /nfs/dbraw/zinc/99/09/92/830990992.db2.gz WZCSECCUAVJLKE-JTQLQIEISA-N 1 0 310.354 -0.169 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1nc(C2CC2)no1 ZINC001134917262 830991677 /nfs/dbraw/zinc/99/16/77/830991677.db2.gz PNWFBYKWODBJTH-UHFFFAOYSA-N 1 0 320.353 -0.775 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)nn1 ZINC001134973083 830996830 /nfs/dbraw/zinc/99/68/30/830996830.db2.gz CLMYBAPLNCKUAK-SNVBAGLBSA-N 1 0 306.370 -0.549 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC)nn1 ZINC001134969489 830996856 /nfs/dbraw/zinc/99/68/56/830996856.db2.gz HNTUHVWPXJXITG-NSHDSACASA-N 1 0 308.386 -0.302 20 30 DBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)nn1 ZINC001134973266 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319.409 -0.035 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001135652310 831100156 /nfs/dbraw/zinc/10/01/56/831100156.db2.gz YPNDXADCVGAVCF-STQMWFEESA-N 1 0 319.409 -0.035 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1cn[nH]c1 ZINC001135652308 831100398 /nfs/dbraw/zinc/10/03/98/831100398.db2.gz YPNDXADCVGAVCF-OLZOCXBDSA-N 1 0 319.409 -0.035 20 30 DBEDRO C=CCCn1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001135667484 831103565 /nfs/dbraw/zinc/10/35/65/831103565.db2.gz UBPXWKSFITXONX-QWRGUYRKSA-N 1 0 308.386 -0.174 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135669412 831103607 /nfs/dbraw/zinc/10/36/07/831103607.db2.gz NUVBNHZHPMFIAA-UHFFFAOYSA-N 1 0 310.354 -0.353 20 30 DBEDRO O=C(CCn1cnnn1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001135677569 831106377 /nfs/dbraw/zinc/10/63/77/831106377.db2.gz OYRIJDUVZRNJLF-UHFFFAOYSA-N 1 0 316.340 -0.040 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)NC(C)=O ZINC001135686375 831108196 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1ccncc1 ZINC001135752982 831116144 /nfs/dbraw/zinc/11/61/44/831116144.db2.gz VSZIMGDBRRKWOB-ZDUSSCGKSA-N 1 0 320.393 -0.005 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(=O)NCC1CC1 ZINC001135788937 831123638 /nfs/dbraw/zinc/12/36/38/831123638.db2.gz NCDZHAZUZJBDSP-QWRGUYRKSA-N 1 0 323.397 -0.975 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC(C)C)c1 ZINC001135803553 831125116 /nfs/dbraw/zinc/12/51/16/831125116.db2.gz LNORGWKJESWVRX-UHFFFAOYSA-N 1 0 305.382 -0.392 20 30 DBEDRO CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1 ZINC001135806508 831125463 /nfs/dbraw/zinc/12/54/63/831125463.db2.gz FKWFGUSQAFCRJM-MNOVXSKESA-N 1 0 321.385 -0.576 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(CC)nn1 ZINC001135806898 831125499 /nfs/dbraw/zinc/12/54/99/831125499.db2.gz LDUPBHVYNONBIE-VXGBXAGGSA-N 1 0 320.397 -0.466 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001135821080 831128986 /nfs/dbraw/zinc/12/89/86/831128986.db2.gz KNSHOPZORHTHST-RYUDHWBXSA-N 1 0 303.428 -0.226 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001135879164 831130416 /nfs/dbraw/zinc/13/04/16/831130416.db2.gz DYEWIYZDRDDIEX-CHWSQXEVSA-N 1 0 319.409 -0.113 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001135881916 831131125 /nfs/dbraw/zinc/13/11/25/831131125.db2.gz DXIUHRJCCBOINB-GHMZBOCLSA-N 1 0 308.382 -0.177 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCCC(N)=O ZINC001135889965 831131703 /nfs/dbraw/zinc/13/17/03/831131703.db2.gz CFVRZVZYPIQQTE-QWHCGFSZSA-N 1 0 324.425 -0.346 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCCC(N)=O ZINC001135889966 831132297 /nfs/dbraw/zinc/13/22/97/831132297.db2.gz CFVRZVZYPIQQTE-STQMWFEESA-N 1 0 324.425 -0.346 20 30 DBEDRO CCOCCn1cc(C(=O)NCC[NH2+]CC#CCOC)cn1 ZINC001135905998 831133623 /nfs/dbraw/zinc/13/36/23/831133623.db2.gz ONXPQZXGPBSVEP-UHFFFAOYSA-N 1 0 308.382 -0.111 20 30 DBEDRO C[C@@H]1CCC[C@@H](C)N1C(=O)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135914226 831137951 /nfs/dbraw/zinc/13/79/51/831137951.db2.gz ZBZOQYSKLCLQRN-VXGBXAGGSA-N 1 0 323.397 -0.879 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920520 831138125 /nfs/dbraw/zinc/13/81/25/831138125.db2.gz VTAUZOUSZJQVMF-VXGBXAGGSA-N 1 0 308.382 -0.223 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923854 831139052 /nfs/dbraw/zinc/13/90/52/831139052.db2.gz ODVXUSVCQNCZIN-MNOVXSKESA-N 1 0 316.365 -0.073 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cncn1C ZINC001135943820 831139715 /nfs/dbraw/zinc/13/97/15/831139715.db2.gz AMSKZGZELPKDCS-QWHCGFSZSA-N 1 0 319.409 -0.415 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)Cc1cncn1C)[NH2+]CC(=O)NCC#N ZINC001135944618 831139717 /nfs/dbraw/zinc/13/97/17/831139717.db2.gz NGIUKJZWMFIWIL-NEPJUHHUSA-N 1 0 320.397 -0.525 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cn(CC)nn2)C1=O ZINC001135994464 831146013 /nfs/dbraw/zinc/14/60/13/831146013.db2.gz VMCHVQOMPKSGCD-NSHDSACASA-N 1 0 306.370 -0.596 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cn(CC)nn2)C1=O ZINC001135994463 831146548 /nfs/dbraw/zinc/14/65/48/831146548.db2.gz VMCHVQOMPKSGCD-LLVKDONJSA-N 1 0 306.370 -0.596 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000348 831147201 /nfs/dbraw/zinc/14/72/01/831147201.db2.gz DTRGGXIFLDYMDJ-ZDUSSCGKSA-N 1 0 323.397 -0.163 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001136012006 831148596 /nfs/dbraw/zinc/14/85/96/831148596.db2.gz ISKCKYNSCFOPQW-OLZOCXBDSA-N 1 0 321.425 -0.005 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136055957 831153872 /nfs/dbraw/zinc/15/38/72/831153872.db2.gz QMARJQDYGKWPJG-RYUDHWBXSA-N 1 0 307.398 -0.214 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136063351 831154223 /nfs/dbraw/zinc/15/42/23/831154223.db2.gz PBKGEZZJZCFWRV-NWDGAFQWSA-N 1 0 303.428 -0.226 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccc(=O)[nH]c1 ZINC001136075084 831155237 /nfs/dbraw/zinc/15/52/37/831155237.db2.gz ROCYQDQDBWEYPA-WDEREUQCSA-N 1 0 319.365 -0.087 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001136128059 831158944 /nfs/dbraw/zinc/15/89/44/831158944.db2.gz ZSDDWHQLUNFLJH-VXGBXAGGSA-N 1 0 308.386 -0.547 20 30 DBEDRO COC(=O)C1(C#N)CCN(C(=O)CC[NH+]2CCN(C)CC2)CC1 ZINC001143230765 831231358 /nfs/dbraw/zinc/23/13/58/831231358.db2.gz DQFJWHDCKOSPPT-UHFFFAOYSA-N 1 0 322.409 -0.071 20 30 DBEDRO C=CCOCc1nn(C)c2c1CN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144129742 831246666 /nfs/dbraw/zinc/24/66/66/831246666.db2.gz AUAIBLZSKCKEDZ-UHFFFAOYSA-N 1 0 320.397 -0.167 20 30 DBEDRO CC(=O)N1CC(=O)NC[C@@]12CCN(Cc1ccc(C#N)cn1)C2 ZINC001144160699 831248625 /nfs/dbraw/zinc/24/86/25/831248625.db2.gz RSOBHAYPJFOEEA-MRXNPFEDSA-N 1 0 313.361 -0.124 20 30 DBEDRO CC(=O)N[C@@H](CS)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001144426741 831254732 /nfs/dbraw/zinc/25/47/32/831254732.db2.gz FOYDGNMLNREOMW-WGBDABJCSA-N 1 0 319.427 -0.738 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185415629 833794642 /nfs/dbraw/zinc/79/46/42/833794642.db2.gz BOEUYELRKGGTOO-WDEREUQCSA-N 1 0 319.365 -0.932 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001146200425 831267661 /nfs/dbraw/zinc/26/76/61/831267661.db2.gz LAIFTBMMCUOWHV-NSHDSACASA-N 1 0 318.377 -0.193 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146314831 831275489 /nfs/dbraw/zinc/27/54/89/831275489.db2.gz OGMDFHJSPZMXDU-CHWSQXEVSA-N 1 0 315.439 -0.777 20 30 DBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC001146313299 831275529 /nfs/dbraw/zinc/27/55/29/831275529.db2.gz FYLICTWZANDBSL-CHWSQXEVSA-N 1 0 317.455 -0.224 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1scnc1C ZINC001146302338 831275573 /nfs/dbraw/zinc/27/55/73/831275573.db2.gz SJUJWJGYOQAYGI-UHFFFAOYSA-N 1 0 308.407 -0.161 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001146314559 831275710 /nfs/dbraw/zinc/27/57/10/831275710.db2.gz NDNUMOMWSLYSAR-GHMZBOCLSA-N 1 0 306.366 -0.004 20 30 DBEDRO Cc1nccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146334690 831276432 /nfs/dbraw/zinc/27/64/32/831276432.db2.gz ZOVGXEZLIYDEDP-VXGBXAGGSA-N 1 0 320.397 -0.296 20 30 DBEDRO Cc1nccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146334683 831276935 /nfs/dbraw/zinc/27/69/35/831276935.db2.gz ZOVGXEZLIYDEDP-NEPJUHHUSA-N 1 0 320.397 -0.296 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001146572164 831284681 /nfs/dbraw/zinc/28/46/81/831284681.db2.gz SRLQSJWYUQTPQN-RYUDHWBXSA-N 1 0 303.428 -0.226 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583355 831285172 /nfs/dbraw/zinc/28/51/72/831285172.db2.gz KGWPSGQBRNJWRG-QWRGUYRKSA-N 1 0 306.370 -0.727 20 30 DBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)Cn1cncn1 ZINC001146581846 831285618 /nfs/dbraw/zinc/28/56/18/831285618.db2.gz CXKSZJBQBQMTOB-NWDGAFQWSA-N 1 0 308.386 -0.547 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146583303 831285658 /nfs/dbraw/zinc/28/56/58/831285658.db2.gz JPUGMBFELPVPIZ-WDEREUQCSA-N 1 0 306.370 -0.727 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC(N)=O ZINC001146753795 831294767 /nfs/dbraw/zinc/29/47/67/831294767.db2.gz BDFIYEYZHKBHHX-RYUDHWBXSA-N 1 0 310.398 -0.736 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC(N)=O ZINC001146753794 831294770 /nfs/dbraw/zinc/29/47/70/831294770.db2.gz BDFIYEYZHKBHHX-NWDGAFQWSA-N 1 0 310.398 -0.736 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001146771649 831295814 /nfs/dbraw/zinc/29/58/14/831295814.db2.gz OYKNQEIFSPWBND-CHWSQXEVSA-N 1 0 305.382 -0.495 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001146769832 831295924 /nfs/dbraw/zinc/29/59/24/831295924.db2.gz NVRJEANGGJKUTQ-KGLIPLIRSA-N 1 0 309.410 -0.107 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146802346 831297703 /nfs/dbraw/zinc/29/77/03/831297703.db2.gz XUZXQIYVULWLRR-LBPRGKRZSA-N 1 0 308.386 -0.545 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCCC(N)=O ZINC001146798116 831298155 /nfs/dbraw/zinc/29/81/55/831298155.db2.gz OKCLAKHZZVLKQJ-GHMZBOCLSA-N 1 0 311.386 -0.845 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(CN(C(C)=O)C2)C1 ZINC001146861275 831302137 /nfs/dbraw/zinc/30/21/37/831302137.db2.gz OXMONBKHKBJZSL-LLVKDONJSA-N 1 0 308.382 -0.059 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](OC)C(F)(F)F ZINC001146924782 831309893 /nfs/dbraw/zinc/30/98/93/831309893.db2.gz JLXHSLFLSIBMII-VIFPVBQESA-N 1 0 309.288 -0.591 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](OC)C(F)(F)F ZINC001146924780 831310008 /nfs/dbraw/zinc/31/00/08/831310008.db2.gz JLXHSLFLSIBMII-SECBINFHSA-N 1 0 309.288 -0.591 20 30 DBEDRO CC[C@@H]1C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)CCO1 ZINC001146960224 831313966 /nfs/dbraw/zinc/31/39/66/831313966.db2.gz 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C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C ZINC001184242576 833753662 /nfs/dbraw/zinc/75/36/62/833753662.db2.gz XVURALUMZMXMEQ-CHWSQXEVSA-N 1 0 324.425 -0.501 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H](C[NH2+]CCOC)[C@@H](C)C1 ZINC001184239863 833753754 /nfs/dbraw/zinc/75/37/54/833753754.db2.gz CYBNIHPJADFYIY-KBPBESRZSA-N 1 0 309.410 -0.154 20 30 DBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184309911 833756488 /nfs/dbraw/zinc/75/64/88/833756488.db2.gz MOVLOEKVYXCJBQ-CYBMUJFWSA-N 1 0 313.423 -0.374 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C ZINC001184422568 833759184 /nfs/dbraw/zinc/75/91/84/833759184.db2.gz IHMJTCWKLSGWBJ-NEPJUHHUSA-N 1 0 318.381 -0.916 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001184684322 833766656 /nfs/dbraw/zinc/76/66/56/833766656.db2.gz ONNZXLJKLIVUDP-OLZOCXBDSA-N 1 0 307.398 -0.158 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184682492 833766946 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COCC#CC[NH2+]CCN(C)C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001266774658 835381315 /nfs/dbraw/zinc/38/13/15/835381315.db2.gz IZTCJNPWQCFAFW-UHFFFAOYSA-N 1 0 307.350 -0.305 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc2n(n1)CCCO2 ZINC001266771092 835381927 /nfs/dbraw/zinc/38/19/27/835381927.db2.gz RRWVPHQIEHUCAG-UHFFFAOYSA-N 1 0 321.381 -0.371 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC001266799612 835385883 /nfs/dbraw/zinc/38/58/83/835385883.db2.gz ZFNCQPXXMALHPX-NSHDSACASA-N 1 0 321.406 -0.271 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001266811353 835387414 /nfs/dbraw/zinc/38/74/14/835387414.db2.gz MJUVOPXDBSSDLK-OLZOCXBDSA-N 1 0 315.439 -0.224 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001266822957 835390755 /nfs/dbraw/zinc/39/07/55/835390755.db2.gz IKRHKAFSAZHYBD-QWHCGFSZSA-N 1 0 313.423 -0.470 20 30 DBEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ocnc1C(F)F ZINC001266836237 835391873 /nfs/dbraw/zinc/39/18/73/835391873.db2.gz KIWDBWMOWBHVQI-UHFFFAOYSA-N 1 0 315.280 -0.086 20 30 DBEDRO Cc1ccc(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)c(=O)[nH]1 ZINC001266847128 835394942 /nfs/dbraw/zinc/39/49/42/835394942.db2.gz VORHPKAOUPHGSI-UHFFFAOYSA-N 1 0 305.338 -0.603 20 30 DBEDRO C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001266853372 835397656 /nfs/dbraw/zinc/39/76/56/835397656.db2.gz KULSMHPQUWUIKI-STQMWFEESA-N 1 0 310.398 -0.159 20 30 DBEDRO C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001266853370 835397793 /nfs/dbraw/zinc/39/77/93/835397793.db2.gz KULSMHPQUWUIKI-OLZOCXBDSA-N 1 0 310.398 -0.159 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC(=O)NCC ZINC001266866778 835398790 /nfs/dbraw/zinc/39/87/90/835398790.db2.gz QVJZENUIZZAJPQ-ZDUSSCGKSA-N 1 0 324.425 -0.215 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001266867440 835398941 /nfs/dbraw/zinc/39/89/41/835398941.db2.gz XNYABZCLHBZGSY-ZDUSSCGKSA-N 1 0 309.410 -0.133 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCCCN1C(=O)CN(C)S(C)(=O)=O 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-0.121 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC001266937596 835410172 /nfs/dbraw/zinc/41/01/72/835410172.db2.gz MBFNXPCOFOMOFJ-NXEZZACHSA-N 1 0 323.315 -0.203 20 30 DBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001266937567 835410723 /nfs/dbraw/zinc/41/07/23/835410723.db2.gz LQXOFXMAIYWROY-WDEREUQCSA-N 1 0 324.381 -0.893 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001266942416 835411232 /nfs/dbraw/zinc/41/12/32/835411232.db2.gz MIUKVFQTORKZIN-VXGBXAGGSA-N 1 0 310.398 -0.701 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001266942411 835411258 /nfs/dbraw/zinc/41/12/58/835411258.db2.gz MIUKVFQTORKZIN-NEPJUHHUSA-N 1 0 310.398 -0.701 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1ccncc1C ZINC001266939152 835411485 /nfs/dbraw/zinc/41/14/85/835411485.db2.gz BDECTYSKLRMIEU-CYBMUJFWSA-N 1 0 302.378 -0.224 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266942315 835411809 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C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001266948159 835413790 /nfs/dbraw/zinc/41/37/90/835413790.db2.gz GFKOKLGHSFILTM-QWHCGFSZSA-N 1 0 319.409 -0.158 20 30 DBEDRO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1 ZINC001266960287 835416001 /nfs/dbraw/zinc/41/60/01/835416001.db2.gz HKZLGDCYLCIIOM-MNOVXSKESA-N 1 0 316.361 -0.041 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1cnccn1 ZINC001266983232 835420967 /nfs/dbraw/zinc/42/09/67/835420967.db2.gz IKKYHEJWRGDRDU-LBPRGKRZSA-N 1 0 303.366 -0.747 20 30 DBEDRO C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]CC(=O)NCC#N ZINC001266983469 835421324 /nfs/dbraw/zinc/42/13/24/835421324.db2.gz ONCDORXJXAJNDM-JTQLQIEISA-N 1 0 318.381 -0.744 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001266982594 835421395 /nfs/dbraw/zinc/42/13/95/835421395.db2.gz DZQHVYQMKAETRH-WBMJQRKESA-N 1 0 322.409 -0.911 20 30 DBEDRO C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001206875301 835421456 /nfs/dbraw/zinc/42/14/56/835421456.db2.gz GDFJOSYRNRBYJN-BXUZGUMPSA-N 1 0 306.366 -0.055 20 30 DBEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001206880928 835422619 /nfs/dbraw/zinc/42/26/19/835422619.db2.gz JMFPZUFGONTDGV-HUUCEWRRSA-N 1 0 309.410 -0.595 20 30 DBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NCc2nnn(C)n2)CC1 ZINC001266993683 835423682 /nfs/dbraw/zinc/42/36/82/835423682.db2.gz CJRMCPQOBBDWJT-GFCCVEGCSA-N 1 0 319.413 -0.850 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1C ZINC001206887544 835423816 /nfs/dbraw/zinc/42/38/16/835423816.db2.gz PQCFTFOJMRFQBV-RBSFLKMASA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1C ZINC001206887213 835424680 /nfs/dbraw/zinc/42/46/80/835424680.db2.gz BFFGUJDLBRTEQB-RBSFLKMASA-N 1 0 321.421 -0.011 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001266997387 835424838 /nfs/dbraw/zinc/42/48/38/835424838.db2.gz PILKXVZCXKWNCH-JTQLQIEISA-N 1 0 319.365 -0.809 20 30 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CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](NC(C)=O)C1CCCC1 ZINC001268313145 835657910 /nfs/dbraw/zinc/65/79/10/835657910.db2.gz NTFNWPQFDFXBJT-LSDHHAIUSA-N 1 0 309.410 -0.229 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001268314402 835658983 /nfs/dbraw/zinc/65/89/83/835658983.db2.gz LHIZOKOYXXUVPN-VIFPVBQESA-N 1 0 305.363 -0.153 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2ccccn2c1=O ZINC001268315203 835659019 /nfs/dbraw/zinc/65/90/19/835659019.db2.gz NAGZJRXNFOKQMI-LLVKDONJSA-N 1 0 300.318 -0.992 20 30 DBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001268316166 835660192 /nfs/dbraw/zinc/66/01/92/835660192.db2.gz QWXABJQGKULDOF-LBPRGKRZSA-N 1 0 316.423 -0.566 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001268316454 835660215 /nfs/dbraw/zinc/66/02/15/835660215.db2.gz SNQPBBIGPGBSLG-QWRGUYRKSA-N 1 0 309.370 -0.811 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C)co1 ZINC001268318980 835661498 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20 30 DBEDRO C#Cc1ccc(C(=O)N[C@@H](C)C[NH2+][C@H]2CCC(=O)NC2=O)cn1 ZINC001483285073 1011827839 /nfs/dbraw/zinc/82/78/39/1011827839.db2.gz MZGQIEWDNASPGH-GWCFXTLKSA-N 1 0 314.345 -0.424 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001483297366 1011831274 /nfs/dbraw/zinc/83/12/74/1011831274.db2.gz UULSDBSPLXETAN-JTQLQIEISA-N 1 0 319.365 -0.809 20 30 DBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001483295628 1011831708 /nfs/dbraw/zinc/83/17/08/1011831708.db2.gz PDXOAPUZFUNAKM-NSHDSACASA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O ZINC001483298455 1011832119 /nfs/dbraw/zinc/83/21/19/1011832119.db2.gz RUINCLOONOKARO-SGMGOOAPSA-N 1 0 322.409 -0.771 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)N1CCN(CCNC(=O)[C@H](C)C#N)CC1 ZINC001453945881 1011839899 /nfs/dbraw/zinc/83/98/99/1011839899.db2.gz IPINZNQYSHGPHF-CQSZACIVSA-N 1 0 323.441 -0.253 20 30 DBEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001483344393 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-0.355 20 30 DBEDRO COc1nc(C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)co1 ZINC001483577714 1011936141 /nfs/dbraw/zinc/93/61/41/1011936141.db2.gz YZQOUWSWOJKHIB-JTQLQIEISA-N 1 0 321.337 -0.579 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001483584926 1011946436 /nfs/dbraw/zinc/94/64/36/1011946436.db2.gz ARPWTKMAZFUQFZ-GFCCVEGCSA-N 1 0 306.366 -0.127 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)c1ncccn1)C1CC1 ZINC001483595637 1011951195 /nfs/dbraw/zinc/95/11/95/1011951195.db2.gz YQOZRFHQVWPPDG-AAEUAGOBSA-N 1 0 315.377 -0.288 20 30 DBEDRO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C1CC1 ZINC001483593361 1011954900 /nfs/dbraw/zinc/95/49/00/1011954900.db2.gz ZFXGBSKCWZMNLX-NSHDSACASA-N 1 0 303.428 -0.015 20 30 DBEDRO C=CC[NH2+]C[C@H](NC(=O)C1(n2cnnn2)CCOCC1)C1CC1 ZINC001483591483 1011955085 /nfs/dbraw/zinc/95/50/85/1011955085.db2.gz FPRXOIWCSBVBIA-ZDUSSCGKSA-N 1 0 320.397 -0.151 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](CC)C1 ZINC001483612950 1011970781 /nfs/dbraw/zinc/97/07/81/1011970781.db2.gz ARBIDGVNDHJPSW-KBPBESRZSA-N 1 0 309.410 -0.011 20 30 DBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1CC ZINC001483614038 1011973475 /nfs/dbraw/zinc/97/34/75/1011973475.db2.gz GIVSSLAQIGQUON-CHWSQXEVSA-N 1 0 315.439 -0.272 20 30 DBEDRO C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483657830 1012024224 /nfs/dbraw/zinc/02/42/24/1012024224.db2.gz DZTKBRYPVQXOFW-KGLIPLIRSA-N 1 0 308.426 -0.037 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(C)noc1C ZINC001496936818 1017107415 /nfs/dbraw/zinc/10/74/15/1017107415.db2.gz NCUVCTJJGRUTQE-NSHDSACASA-N 1 0 310.354 -0.726 20 30 DBEDRO CC(=O)N[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001496936841 1017108883 /nfs/dbraw/zinc/10/88/83/1017108883.db2.gz FDPRUIALNMBNAQ-CJNGLKHVSA-N 1 0 317.389 -0.371 20 30 DBEDRO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001483684779 1012051362 /nfs/dbraw/zinc/05/13/62/1012051362.db2.gz YEMOZEDGSRMMQK-LBPRGKRZSA-N 1 0 318.443 -0.461 20 30 DBEDRO C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NC(=O)c1c[nH]c(C#N)c1 ZINC001454584614 1012052291 /nfs/dbraw/zinc/05/22/91/1012052291.db2.gz XIMOHBDTGGTJHN-ZWNOBZJWSA-N 1 0 319.365 -0.549 20 30 DBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)CN(C)S(=O)(=O)CC ZINC001483689981 1012054924 /nfs/dbraw/zinc/05/49/24/1012054924.db2.gz UHMBOESKZYRJMW-GFCCVEGCSA-N 1 0 301.412 -0.518 20 30 DBEDRO C#CCNC(=O)CN1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483694639 1012059801 /nfs/dbraw/zinc/05/98/01/1012059801.db2.gz NBTFFVGXJGCXAA-KGLIPLIRSA-N 1 0 306.410 -0.732 20 30 DBEDRO Cc1ncc(S(N)(=O)=O)cc1C(=O)NCC#CC[NH+](C)C ZINC001454642339 1012080402 /nfs/dbraw/zinc/08/04/02/1012080402.db2.gz OTHVKHYNGLBUDF-UHFFFAOYSA-N 1 0 310.379 -0.668 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)COC)CC1 ZINC001483743191 1012106290 /nfs/dbraw/zinc/10/62/90/1012106290.db2.gz QJHVKCDAWIXUMH-KGLIPLIRSA-N 1 0 309.410 -0.670 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001483760793 1012119630 /nfs/dbraw/zinc/11/96/30/1012119630.db2.gz ZLAWOPBRIWIQOX-WUHRBBMRSA-N 1 0 307.394 -0.192 20 30 DBEDRO C=C(C)C[NH2+]C1(CNC(=O)Cn2ncn3nccc3c2=O)CC1 ZINC001483772756 1012128059 /nfs/dbraw/zinc/12/80/59/1012128059.db2.gz HIKOLWIBZCTIQE-UHFFFAOYSA-N 1 0 316.365 -0.295 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001483769993 1012128442 /nfs/dbraw/zinc/12/84/42/1012128442.db2.gz HSYIUFWCFFLARX-DGAVXFQQSA-N 1 0 319.405 -0.070 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001483835619 1012153637 /nfs/dbraw/zinc/15/36/37/1012153637.db2.gz LCGBODRRXNLYBD-ZDUSSCGKSA-N 1 0 307.394 -0.176 20 30 DBEDRO C=CCCC[NH+]1CC(N(C)C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001483880919 1012187860 /nfs/dbraw/zinc/18/78/60/1012187860.db2.gz BOCQVJSOYZGDPG-ZDUSSCGKSA-N 1 0 310.398 -0.525 20 30 DBEDRO C#CCNC(=O)CN1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001483889480 1012190647 /nfs/dbraw/zinc/19/06/47/1012190647.db2.gz ZAFWITRJDKJIMF-HNNXBMFYSA-N 1 0 308.426 -0.535 20 30 DBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cnsn1 ZINC001483899186 1012196360 /nfs/dbraw/zinc/19/63/60/1012196360.db2.gz KUVJNYPEGUOETJ-UWVGGRQHSA-N 1 0 322.394 -0.239 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@@H](C)C1 ZINC001483903486 1012197724 /nfs/dbraw/zinc/19/77/24/1012197724.db2.gz DFDWUNMPOOCAIY-RYUDHWBXSA-N 1 0 320.397 -0.300 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001483901441 1012198139 /nfs/dbraw/zinc/19/81/39/1012198139.db2.gz KARDYRDQJYPHKK-KGLIPLIRSA-N 1 0 320.393 -0.365 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H](C)C1 ZINC001483903487 1012198310 /nfs/dbraw/zinc/19/83/10/1012198310.db2.gz DFDWUNMPOOCAIY-VXGBXAGGSA-N 1 0 320.397 -0.300 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2F)[C@H](C)C1 ZINC001483908436 1012200487 /nfs/dbraw/zinc/20/04/87/1012200487.db2.gz KGWWXNZAUYGEII-GHMZBOCLSA-N 1 0 321.356 -0.119 20 30 DBEDRO Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]2C)n1 ZINC001483913249 1012204211 /nfs/dbraw/zinc/20/42/11/1012204211.db2.gz TTZKJLBPTHCUGG-NWDGAFQWSA-N 1 0 318.381 -0.059 20 30 DBEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC001483925949 1012208456 /nfs/dbraw/zinc/20/84/56/1012208456.db2.gz UIDVIJAUBMULHO-NEPJUHHUSA-N 1 0 316.427 -0.334 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCO1 ZINC001483927225 1012208743 /nfs/dbraw/zinc/20/87/43/1012208743.db2.gz ZUXOHLVQWVCQHL-UONOGXRCSA-N 1 0 307.394 -0.115 20 30 DBEDRO C[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N)n1cncn1 ZINC001483927079 1012209820 /nfs/dbraw/zinc/20/98/20/1012209820.db2.gz WPOWVMIWRIMJBC-NEPJUHHUSA-N 1 0 319.369 -0.941 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC001483929974 1012211373 /nfs/dbraw/zinc/21/13/73/1012211373.db2.gz UHNPXPQVVIOMAL-NSHDSACASA-N 1 0 306.370 -0.466 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1cn(C)nn1 ZINC001483929693 1012213938 /nfs/dbraw/zinc/21/39/38/1012213938.db2.gz ZHXZUPSUVLGDEA-NEPJUHHUSA-N 1 0 320.397 -0.300 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001483935472 1012216028 /nfs/dbraw/zinc/21/60/28/1012216028.db2.gz WNVYGDHIRJCEKA-KGLIPLIRSA-N 1 0 307.394 -0.257 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001483934096 1012218516 /nfs/dbraw/zinc/21/85/16/1012218516.db2.gz FRPQVABMYXRKRI-NSHDSACASA-N 1 0 313.789 -0.085 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C ZINC001483944518 1012221903 /nfs/dbraw/zinc/22/19/03/1012221903.db2.gz XMKMTWWJGRBXTN-QWHCGFSZSA-N 1 0 322.409 -0.510 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCOC1 ZINC001483943103 1012222906 /nfs/dbraw/zinc/22/29/06/1012222906.db2.gz DLHLOGKRIPWNRG-IUODEOHRSA-N 1 0 313.373 -0.002 20 30 DBEDRO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC001483946403 1012224389 /nfs/dbraw/zinc/22/43/89/1012224389.db2.gz PLAGYCNRYVVQMW-NEPJUHHUSA-N 1 0 301.412 -0.472 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1ccnnc1 ZINC001483949010 1012225234 /nfs/dbraw/zinc/22/52/34/1012225234.db2.gz ZYEVURBZKGQCII-CYBMUJFWSA-N 1 0 303.366 -0.027 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccnnc1 ZINC001483949011 1012226763 /nfs/dbraw/zinc/22/67/63/1012226763.db2.gz ZYEVURBZKGQCII-ZDUSSCGKSA-N 1 0 303.366 -0.027 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1nonc1C ZINC001483958949 1012231401 /nfs/dbraw/zinc/23/14/01/1012231401.db2.gz WEANKDNEDYHNBT-RYUDHWBXSA-N 1 0 319.365 -0.290 20 30 DBEDRO C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H](C)NC(N)=O)C2)CC1 ZINC001483976612 1012232702 /nfs/dbraw/zinc/23/27/02/1012232702.db2.gz NKECJZRKPLCGGZ-QWHCGFSZSA-N 1 0 322.409 -0.336 20 30 DBEDRO C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)Cn3cnnn3)C2)CC1 ZINC001483976808 1012235656 /nfs/dbraw/zinc/23/56/56/1012235656.db2.gz PDCSVYUGWJZWQF-CYBMUJFWSA-N 1 0 320.397 -0.154 20 30 DBEDRO C#CCN(C(=O)CN(C)C(C)=O)C1CC[NH+](CCCO)CC1 ZINC001483981174 1012237798 /nfs/dbraw/zinc/23/77/98/1012237798.db2.gz UTGPFTKNAYHQBZ-UHFFFAOYSA-N 1 0 309.410 -0.227 20 30 DBEDRO C#CCN(C(=O)C(N)=O)C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001483986761 1012239269 /nfs/dbraw/zinc/23/92/69/1012239269.db2.gz ROJLWLATVXWMND-LLVKDONJSA-N 1 0 320.393 -0.935 20 30 DBEDRO C#CCN(C(=O)[C@H](C)NC(=O)CC)C1CC[NH+](CCO)CC1 ZINC001483984470 1012240695 /nfs/dbraw/zinc/24/06/95/1012240695.db2.gz NQZUZFNCBKNLMC-ZDUSSCGKSA-N 1 0 309.410 -0.180 20 30 DBEDRO C#CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC[NH+](CC)CC1 ZINC001483989235 1012240993 /nfs/dbraw/zinc/24/09/93/1012240993.db2.gz CBINBKYAKMYKCK-ZDUSSCGKSA-N 1 0 313.423 -0.376 20 30 DBEDRO C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC[NH+](CCOC)CC1 ZINC001483987166 1012241746 /nfs/dbraw/zinc/24/17/46/1012241746.db2.gz GSEQTTKEURPRIW-KGLIPLIRSA-N 1 0 307.394 -0.320 20 30 DBEDRO CO[C@@H](C)C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997354 1012244254 /nfs/dbraw/zinc/24/42/54/1012244254.db2.gz WVQPQXCVVUICIE-WCQYABFASA-N 1 0 310.398 -0.074 20 30 DBEDRO C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001484021015 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20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001568571545 1024947695 /nfs/dbraw/zinc/94/76/95/1024947695.db2.gz YYGGMIANMAMXJQ-XQLPTFJDSA-N 1 0 321.421 -0.371 20 30 DBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)c2cccnc21 ZINC001568571448 1024947711 /nfs/dbraw/zinc/94/77/11/1024947711.db2.gz YBQKMVOKEVGXJQ-GFCCVEGCSA-N 1 0 303.366 -0.008 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001568579622 1024952253 /nfs/dbraw/zinc/95/22/53/1024952253.db2.gz FNXXVEPPBSZHCB-LBPRGKRZSA-N 1 0 323.397 -0.637 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001568581091 1024954735 /nfs/dbraw/zinc/95/47/35/1024954735.db2.gz LBDOVTJYQKUSJG-KBPBESRZSA-N 1 0 308.382 -0.449 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnoc1CC ZINC001568583322 1024955098 /nfs/dbraw/zinc/95/50/98/1024955098.db2.gz SKLAGOWMNHAOOI-GHMZBOCLSA-N 1 0 322.365 -0.945 20 30 DBEDRO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C(F)(F)F ZINC001568590002 1024958967 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ZINC000641671444 380964396 /nfs/dbraw/zinc/96/43/96/380964396.db2.gz VTNQTPJUFCHQNC-ZBFHGGJFSA-N 1 0 311.426 -0.164 20 30 DBEDRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528482494 381275015 /nfs/dbraw/zinc/27/50/15/381275015.db2.gz CPFAURZVCRPXJT-GFCCVEGCSA-N 1 0 316.427 -0.441 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614920943 381399421 /nfs/dbraw/zinc/39/94/21/381399421.db2.gz ZZEGTURGTCFFOD-GFCCVEGCSA-N 1 0 312.414 -0.225 20 30 DBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH2+]C(C)C)C1=O ZINC000564981965 381624206 /nfs/dbraw/zinc/62/42/06/381624206.db2.gz SGDWXSVNPFJCFG-UHFFFAOYSA-N 1 0 310.354 -0.533 20 30 DBEDRO CCCNC(=O)NC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153271886 381630769 /nfs/dbraw/zinc/63/07/69/381630769.db2.gz YNNSPOLWWCASOO-UHFFFAOYSA-N 1 0 321.385 -0.036 20 30 DBEDRO C=CCOc1cccnc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000566556786 381663711 /nfs/dbraw/zinc/66/37/11/381663711.db2.gz YHNXELROVMTGEB-UHFFFAOYSA-N 1 0 304.350 -0.192 20 30 DBEDRO 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/nfs/dbraw/zinc/96/14/48/381961448.db2.gz BGAOHLBRRZEFON-AWEZNQCLSA-N 1 0 316.361 -0.527 20 30 DBEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](CC(N)=O)C2)CC1 ZINC000623634984 381997821 /nfs/dbraw/zinc/99/78/21/381997821.db2.gz MKBFETSHFUREQM-CYBMUJFWSA-N 1 0 310.398 -0.077 20 30 DBEDRO CC(C)NC(=O)CN(C)CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000582011571 382216337 /nfs/dbraw/zinc/21/63/37/382216337.db2.gz HCINVVFKKLHXPN-UHFFFAOYSA-N 1 0 323.397 -0.973 20 30 DBEDRO Cn1c(Nc2cnn(CC[NH+](C)C)c2)c(C#N)c(=O)n(C)c1=O ZINC000057854526 382274963 /nfs/dbraw/zinc/27/49/63/382274963.db2.gz ICIFEROWGDQFCF-UHFFFAOYSA-N 1 0 317.353 -0.543 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627290670 382344221 /nfs/dbraw/zinc/34/42/21/382344221.db2.gz XILPDXJSEIRLNN-XQQFMLRXSA-N 1 0 311.382 -0.812 20 30 DBEDRO N#Cc1ccc(C(=O)NCC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000600532091 382422883 /nfs/dbraw/zinc/42/28/83/382422883.db2.gz GRBNQFXEWHNWNV-CQSZACIVSA-N 1 0 316.361 -0.529 20 30 DBEDRO CNS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600736367 382423983 /nfs/dbraw/zinc/42/39/83/382423983.db2.gz XZJOXHHXUGSIGH-LBPRGKRZSA-N 1 0 313.379 -0.563 20 30 DBEDRO CN(CCOCC[NH3+])C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000600798271 382424040 /nfs/dbraw/zinc/42/40/40/382424040.db2.gz TZJQVYRBCFNEAC-UHFFFAOYSA-N 1 0 318.377 -0.050 20 30 DBEDRO N#Cc1ccc(C(=O)NCC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000600808041 382424144 /nfs/dbraw/zinc/42/41/44/382424144.db2.gz GRBNQFXEWHNWNV-AWEZNQCLSA-N 1 0 316.361 -0.529 20 30 DBEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000600759452 382424299 /nfs/dbraw/zinc/42/42/99/382424299.db2.gz QIGVQPSSANUNCD-HUUCEWRRSA-N 1 0 305.378 -0.046 20 30 DBEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(N)=O)O1 ZINC000600732453 382424477 /nfs/dbraw/zinc/42/44/77/382424477.db2.gz ZULVZWXBUFZVJJ-UMVBOHGHSA-N 1 0 319.361 -0.080 20 30 DBEDRO COCC[N@H+](C)CCN1C[C@H](Nc2ncncc2C#N)CC1=O ZINC000601178089 382429172 /nfs/dbraw/zinc/42/91/72/382429172.db2.gz 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ZINC000619612426 382412761 /nfs/dbraw/zinc/41/27/61/382412761.db2.gz AVOSEUGCHSTKDD-NWDGAFQWSA-N 1 0 306.370 -0.062 20 30 DBEDRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)n1cnc(C#N)n1 ZINC000619612437 382413000 /nfs/dbraw/zinc/41/30/00/382413000.db2.gz BJDTVDVDXGYCAH-JHJVBQTASA-N 1 0 318.381 -0.232 20 30 DBEDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1 ZINC000600094881 382418282 /nfs/dbraw/zinc/41/82/82/382418282.db2.gz CKQAVEVIACFZEE-UHFFFAOYSA-N 1 0 317.393 -0.026 20 30 DBEDRO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000619708188 382421163 /nfs/dbraw/zinc/42/11/63/382421163.db2.gz HJFNYBFDWBIPFO-GFCCVEGCSA-N 1 0 304.416 -0.223 20 30 DBEDRO N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000619708156 382421375 /nfs/dbraw/zinc/42/13/75/382421375.db2.gz OADVPGJOJBLJNK-JQWIXIFHSA-N 1 0 300.384 -0.718 20 30 DBEDRO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000619708192 382421735 /nfs/dbraw/zinc/42/17/35/382421735.db2.gz HJFNYBFDWBIPFO-LBPRGKRZSA-N 1 0 304.416 -0.223 20 30 DBEDRO N#Cc1cncnc1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603422266 382451938 /nfs/dbraw/zinc/45/19/38/382451938.db2.gz FLHWZXMHRWVCRT-HNNXBMFYSA-N 1 0 316.409 -0.021 20 30 DBEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000419888625 382503480 /nfs/dbraw/zinc/50/34/80/382503480.db2.gz RHSRXMNFPXIOJQ-LBPRGKRZSA-N 1 0 314.345 -0.374 20 30 DBEDRO C[NH2+]CCNC(=O)C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000419890208 382505633 /nfs/dbraw/zinc/50/56/33/382505633.db2.gz HMQXDFHGOMNITQ-UHFFFAOYSA-N 1 0 318.377 -0.131 20 30 DBEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)o1 ZINC000114469957 382517898 /nfs/dbraw/zinc/51/78/98/382517898.db2.gz CKMITPVOMNOCJJ-LBPRGKRZSA-N 1 0 319.365 -0.430 20 30 DBEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000622055812 382542298 /nfs/dbraw/zinc/54/22/98/382542298.db2.gz WAJDEWUFRIJIQH-WFASDCNBSA-N 1 0 313.398 -0.781 20 30 DBEDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@]2(C#N)CCSC2)CC1=O ZINC000081024317 382559023 /nfs/dbraw/zinc/55/90/23/382559023.db2.gz HBCOSGDNGBOUKV-FZMZJTMJSA-N 1 0 310.423 -0.088 20 30 DBEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C2)cc1 ZINC000423567758 382530169 /nfs/dbraw/zinc/53/01/69/382530169.db2.gz RACVRGALJAEGLG-GFCCVEGCSA-N 1 0 314.345 -0.293 20 30 DBEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1=O ZINC000627482770 382632449 /nfs/dbraw/zinc/63/24/49/382632449.db2.gz VDSFQOYFRZLKFF-AVGNSLFASA-N 1 0 322.409 -0.512 20 30 DBEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)C1=O ZINC000627460380 382628631 /nfs/dbraw/zinc/62/86/31/382628631.db2.gz IJRHZCMKZAVVSH-YNEHKIRRSA-N 1 0 322.409 -0.512 20 30 DBEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C ZINC000132493844 382639740 /nfs/dbraw/zinc/63/97/40/382639740.db2.gz XJUAIWNCGXWDSK-NSHDSACASA-N 1 0 324.406 -0.097 20 30 DBEDRO CN(CC(N)=O)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CCO1 ZINC000276565790 257256861 /nfs/dbraw/zinc/25/68/61/257256861.db2.gz STXJULWRQMJANK-CQSZACIVSA-N 1 0 316.361 -0.184 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DBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)CN3CCOCC3=O)C2)C1 ZINC001121238701 829451993 /nfs/dbraw/zinc/45/19/93/829451993.db2.gz RJPUIJVGRVDKBB-UHFFFAOYSA-N 1 0 319.405 -0.115 20 30 DBEDRO C#CC[NH2+]CC1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCCCC1 ZINC001276208377 833411958 /nfs/dbraw/zinc/41/19/58/833411958.db2.gz MOGMWZQAPQKFQB-NSHDSACASA-N 1 0 306.366 -0.374 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1ncccc1C#N ZINC001121242867 829453693 /nfs/dbraw/zinc/45/36/93/829453693.db2.gz RYKBXTWJDXGOGO-CHWSQXEVSA-N 1 0 303.366 -0.064 20 30 DBEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001121242837 829453748 /nfs/dbraw/zinc/45/37/48/829453748.db2.gz ROQFWUDAAIUQFN-VXGBXAGGSA-N 1 0 304.354 -0.669 20 30 DBEDRO C#CC[NH2+]CC1(NC(=O)Cn2nc(C)n(C)c2=O)CCCCC1 ZINC001276237497 833413988 /nfs/dbraw/zinc/41/39/88/833413988.db2.gz MXNNEEYZTGENEX-UHFFFAOYSA-N 1 0 319.409 -0.068 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001276231958 833414139 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C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)Nc2ncc(C#N)cc2F)C1 ZINC001121591710 829496044 /nfs/dbraw/zinc/49/60/44/829496044.db2.gz VBRVVCZXUJKFMW-VXGBXAGGSA-N 1 0 321.356 -0.067 20 30 DBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001276265968 833415578 /nfs/dbraw/zinc/41/55/78/833415578.db2.gz ZHSQGCDECXRIHM-UONOGXRCSA-N 1 0 324.425 -0.216 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 ZINC001121670122 829503110 /nfs/dbraw/zinc/50/31/10/829503110.db2.gz ROMJOTCWHMHYIA-LBPRGKRZSA-N 1 0 306.370 -0.423 20 30 DBEDRO C#CC[NH2+]C[C@H](CCCC)NC(=O)Cn1nc(C)n(C)c1=O ZINC001276269872 833415809 /nfs/dbraw/zinc/41/58/09/833415809.db2.gz XFBSMFOSPBVBBM-ZDUSSCGKSA-N 1 0 307.398 -0.212 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)Nc2cncc(C#N)n2)C1 ZINC001121806362 829514051 /nfs/dbraw/zinc/51/40/51/829514051.db2.gz KIODAHNWUPZTQE-DGCLKSJQSA-N 1 0 318.381 -0.421 20 30 DBEDRO N#Cc1cnccc1N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001121806172 829514085 /nfs/dbraw/zinc/51/40/85/829514085.db2.gz IGTANWUTPPUBPO-ZDUSSCGKSA-N 1 0 315.377 -0.640 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Nc2ccncc2C#N)C1 ZINC001121806677 829514734 /nfs/dbraw/zinc/51/47/34/829514734.db2.gz MWSFBBLZUVTMJA-GXTWGEPZSA-N 1 0 317.393 -0.394 20 30 DBEDRO CC[C@@H](C(=O)NC[C@H](CO)Nc1nc(C)cc(C#N)n1)[NH+](C)C ZINC001121812869 829515206 /nfs/dbraw/zinc/51/52/06/829515206.db2.gz QTDCHLDHZSZFKU-OLZOCXBDSA-N 1 0 320.397 -0.114 20 30 DBEDRO CC[C@H](C(=O)NC[C@@H](CO)Nc1ccncc1C#N)[NH+](C)C ZINC001121812044 829515230 /nfs/dbraw/zinc/51/52/30/829515230.db2.gz IPVIBKPPVDJDIM-GXTWGEPZSA-N 1 0 305.382 -0.396 20 30 DBEDRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1ccncc1C#N)[NH+](C)C ZINC001121812045 829515269 /nfs/dbraw/zinc/51/52/69/829515269.db2.gz IPVIBKPPVDJDIM-JSGCOSHPSA-N 1 0 305.382 -0.396 20 30 DBEDRO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)Nc2cnc(C#N)cn2)C1 ZINC001121807835 829515536 /nfs/dbraw/zinc/51/55/36/829515536.db2.gz YXHXMDNLVIFYQG-WCQYABFASA-N 1 0 318.381 -0.421 20 30 DBEDRO CC[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(C#N)nn1)[NH+](C)C ZINC001121812657 829515709 /nfs/dbraw/zinc/51/57/09/829515709.db2.gz NTAKZYUVRLZCHN-RYUDHWBXSA-N 1 0 306.370 -0.423 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CCCC(N)=O ZINC001176825122 833420641 /nfs/dbraw/zinc/42/06/41/833420641.db2.gz XERFHJPQDMZOES-ZDUSSCGKSA-N 1 0 324.425 -0.344 20 30 DBEDRO CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1cncc(C#N)n1)[NH+](C)C ZINC001121838644 829518547 /nfs/dbraw/zinc/51/85/47/829518547.db2.gz JLPNSQDCGQCKIF-OCCSQVGLSA-N 1 0 320.397 -0.177 20 30 DBEDRO CC(C)[C@@H](C(=O)NC[C@H](CO)Nc1nccnc1C#N)[NH+](C)C ZINC001121840328 829518699 /nfs/dbraw/zinc/51/86/99/829518699.db2.gz RMYCCRGVSNNHEY-YPMHNXCESA-N 1 0 320.397 -0.177 20 30 DBEDRO C=CCN(C(=O)C[C@@]1(O)CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC001121852348 829519243 /nfs/dbraw/zinc/51/92/43/829519243.db2.gz ULCWXNWCKCRXAX-OCCSQVGLSA-N 1 0 316.423 -0.307 20 30 DBEDRO CCC[N@H+](C)CC(=O)NC[C@@H](CO)Nc1nccnc1C#N ZINC001121888266 829523870 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COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C ZINC001133301898 830765433 /nfs/dbraw/zinc/76/54/33/830765433.db2.gz MFWDCIROUGUEHP-ZIAGYGMSSA-N 1 0 324.425 -0.231 20 30 DBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001133300981 830765486 /nfs/dbraw/zinc/76/54/86/830765486.db2.gz BPLGFWYCKUWJAC-OLZOCXBDSA-N 1 0 305.378 -0.157 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1C ZINC001133307164 830766427 /nfs/dbraw/zinc/76/64/27/830766427.db2.gz VNIGWOZJZDQEIJ-OLZOCXBDSA-N 1 0 320.393 -0.364 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cn(C)c(=O)[nH]2)C1=O ZINC001133335011 830767988 /nfs/dbraw/zinc/76/79/88/830767988.db2.gz HLIHMAGNXWWQNK-JTQLQIEISA-N 1 0 307.354 -0.768 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001133338389 830769894 /nfs/dbraw/zinc/76/98/94/830769894.db2.gz UZJYFPWRLUJRNF-NWDGAFQWSA-N 1 0 318.381 -0.916 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COC ZINC001133460849 830776521 /nfs/dbraw/zinc/77/65/21/830776521.db2.gz GELQNEZZEXWJOJ-MNOVXSKESA-N 1 0 314.386 -0.483 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133516393 830784990 /nfs/dbraw/zinc/78/49/90/830784990.db2.gz ABVKIVIFSJIHSK-ZDUSSCGKSA-N 1 0 315.414 -0.222 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)C1CCOCC1)[NH2+]CC(=O)NCC#N ZINC001133530694 830788234 /nfs/dbraw/zinc/78/82/34/830788234.db2.gz SCGUGTXCMUYMBT-NEPJUHHUSA-N 1 0 310.398 -0.074 20 30 DBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001133571091 830788870 /nfs/dbraw/zinc/78/88/70/830788870.db2.gz GKGFPNOPUGQPKD-LBPRGKRZSA-N 1 0 324.425 -0.359 20 30 DBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133566031 830789322 /nfs/dbraw/zinc/78/93/22/830789322.db2.gz REXFBYVTEDSVLY-UHFFFAOYSA-N 1 0 308.382 -0.010 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1)[NH2+]CC(=O)NCC#N ZINC001133666287 830805233 /nfs/dbraw/zinc/80/52/33/830805233.db2.gz GLPJHDRVOJZTAS-MNOVXSKESA-N 1 0 306.370 -0.454 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cn1cccn1 ZINC001133674634 830805917 /nfs/dbraw/zinc/80/59/17/830805917.db2.gz GRKVCEIVLBKFAM-NWDGAFQWSA-N 1 0 306.370 -0.604 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766385 830820954 /nfs/dbraw/zinc/82/09/54/830820954.db2.gz CTFWGQNOPOCRGT-ABAIWWIYSA-N 1 0 308.382 -0.995 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133766386 830821055 /nfs/dbraw/zinc/82/10/55/830821055.db2.gz CTFWGQNOPOCRGT-IAQYHMDHSA-N 1 0 308.382 -0.995 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001133772588 830822665 /nfs/dbraw/zinc/82/26/65/830822665.db2.gz ASAIJMKLBYJYGX-NEPJUHHUSA-N 1 0 324.425 -0.312 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133790084 830826237 /nfs/dbraw/zinc/82/62/37/830826237.db2.gz NWFYLWNGNOGBOG-QWRGUYRKSA-N 1 0 314.386 -0.483 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133834815 830833717 /nfs/dbraw/zinc/83/37/17/830833717.db2.gz CYTGDJCSQUCHLC-GHMZBOCLSA-N 1 0 319.427 -0.794 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001133834643 830834069 /nfs/dbraw/zinc/83/40/69/830834069.db2.gz BPZUQVMQZKWHTK-ZIAGYGMSSA-N 1 0 319.409 -0.186 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001133834642 830834309 /nfs/dbraw/zinc/83/43/09/830834309.db2.gz BPZUQVMQZKWHTK-UONOGXRCSA-N 1 0 319.409 -0.186 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001133872520 830846634 /nfs/dbraw/zinc/84/66/34/830846634.db2.gz WBOFSGZKKLNFAX-RYUDHWBXSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cncs1 ZINC001133906025 830851981 /nfs/dbraw/zinc/85/19/81/830851981.db2.gz NMQZLNBOFMOAJQ-NSHDSACASA-N 1 0 308.407 -0.081 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133928821 830858527 /nfs/dbraw/zinc/85/85/27/830858527.db2.gz JNFCLFLZWQVZTQ-GRYCIOLGSA-N 1 0 310.398 -0.893 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCCOC ZINC001133926827 830859093 /nfs/dbraw/zinc/85/90/93/830859093.db2.gz NKRGVEWXXYEQDC-OLZOCXBDSA-N 1 0 315.414 -0.176 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)CC ZINC001133946039 830862272 /nfs/dbraw/zinc/86/22/72/830862272.db2.gz QBGRWZDMXNUJBX-RYUDHWBXSA-N 1 0 310.398 -0.865 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nccnc1N ZINC001133952854 830864434 /nfs/dbraw/zinc/86/44/34/830864434.db2.gz FMWRAWQGSOAGAR-WDEREUQCSA-N 1 0 320.397 -0.153 20 30 DBEDRO CCC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133970103 830867628 /nfs/dbraw/zinc/86/76/28/830867628.db2.gz RLEDGCRPHSPRGE-MNOVXSKESA-N 1 0 311.386 -0.975 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014216 830874121 /nfs/dbraw/zinc/87/41/21/830874121.db2.gz NZFDARXHOBBHDC-DTWKUNHWSA-N 1 0 320.353 -0.432 20 30 DBEDRO Cc1cc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n[nH]1 ZINC001134055633 830883656 /nfs/dbraw/zinc/88/36/56/830883656.db2.gz KRVRNMUOMXHQFK-WDEREUQCSA-N 1 0 320.397 -0.227 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134053093 830883864 /nfs/dbraw/zinc/88/38/64/830883864.db2.gz MVFDCCRNIHPAIO-NEPJUHHUSA-N 1 0 319.427 -0.825 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001134053531 830884160 /nfs/dbraw/zinc/88/41/60/830884160.db2.gz YDBNUHNCHKPCNK-MCIONIFRSA-N 1 0 316.398 -0.693 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134062286 830885031 /nfs/dbraw/zinc/88/50/31/830885031.db2.gz VTDRCONGLMLJBO-NEPJUHHUSA-N 1 0 324.381 -0.705 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)[NH2+]CC(=O)NCC#N ZINC001134065470 830885144 /nfs/dbraw/zinc/88/51/44/830885144.db2.gz OSUNEHOZJORTAK-MNOVXSKESA-N 1 0 319.365 -0.087 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134089901 830885958 /nfs/dbraw/zinc/88/59/58/830885958.db2.gz CBBBYIMUKVGGTD-UHFFFAOYSA-N 1 0 304.350 -0.542 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098710 830888091 /nfs/dbraw/zinc/88/80/91/830888091.db2.gz HEKIIWOWFCOIAA-GFCCVEGCSA-N 1 0 308.386 -0.466 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn(C)cn1 ZINC001134098628 830888253 /nfs/dbraw/zinc/88/82/53/830888253.db2.gz DMGIYSDUKGJTJG-WDEREUQCSA-N 1 0 306.370 -0.454 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001134130294 830895124 /nfs/dbraw/zinc/89/51/24/830895124.db2.gz FWJDAACOXAKUMW-NEPJUHHUSA-N 1 0 322.409 -0.723 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001134130049 830895454 /nfs/dbraw/zinc/89/54/54/830895454.db2.gz BIZLWEFJMSJMDK-VXGBXAGGSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134129986 830895681 /nfs/dbraw/zinc/89/56/81/830895681.db2.gz ARXPALSFNFYIRB-CHWSQXEVSA-N 1 0 313.398 -0.992 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC(=O)NC ZINC001134131280 830896146 /nfs/dbraw/zinc/89/61/46/830896146.db2.gz TXOYIESRXYHFIS-QWHCGFSZSA-N 1 0 324.425 -0.475 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC ZINC001134130984 830896166 /nfs/dbraw/zinc/89/61/66/830896166.db2.gz OYDOMUMBSXMWAA-RYUDHWBXSA-N 1 0 310.398 -0.865 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001134131018 830896285 /nfs/dbraw/zinc/89/62/85/830896285.db2.gz PLAFEUIGNIWFHJ-GHMZBOCLSA-N 1 0 320.397 -0.374 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001134131117 830896346 /nfs/dbraw/zinc/89/63/46/830896346.db2.gz QSAPCVWYXQFNOU-WDEREUQCSA-N 1 0 307.354 -0.418 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001134131141 830896713 /nfs/dbraw/zinc/89/67/13/830896713.db2.gz RFZDNILGAOKGAG-STQMWFEESA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001134131319 830896719 /nfs/dbraw/zinc/89/67/19/830896719.db2.gz UTONFCIJGOXETD-OLZOCXBDSA-N 1 0 317.393 -0.011 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cccn1 ZINC001134130804 830897020 /nfs/dbraw/zinc/89/70/20/830897020.db2.gz MQTVCAXJKHBVQE-UONOGXRCSA-N 1 0 319.409 -0.105 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccnn1C ZINC001134131515 830897754 /nfs/dbraw/zinc/89/77/54/830897754.db2.gz XPHCQVIFNBMPCY-OLZOCXBDSA-N 1 0 319.409 -0.068 20 30 DBEDRO CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001134142772 830899657 /nfs/dbraw/zinc/89/96/57/830899657.db2.gz GRAZENGJXAKUCX-QWRGUYRKSA-N 1 0 311.386 -0.975 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NCC ZINC001134143867 830900755 /nfs/dbraw/zinc/90/07/55/830900755.db2.gz TVJSIHXVYAROLK-NWDGAFQWSA-N 1 0 310.398 -0.865 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)NC(C)=O)C1=O ZINC001134175547 830904655 /nfs/dbraw/zinc/90/46/55/830904655.db2.gz WEPFCWSDRCLGNH-CHWSQXEVSA-N 1 0 310.398 -0.606 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ccnn1 ZINC001134193682 830907518 /nfs/dbraw/zinc/90/75/18/830907518.db2.gz OXIUKNIIXADXGZ-STQMWFEESA-N 1 0 322.413 -0.157 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219348 830910236 /nfs/dbraw/zinc/91/02/36/830910236.db2.gz LQUNJNOIBOGKLQ-QWRGUYRKSA-N 1 0 324.381 -0.233 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)o1 ZINC001134219173 830910509 /nfs/dbraw/zinc/91/05/09/830910509.db2.gz JRUSLHGOQNXIBZ-WDEREUQCSA-N 1 0 322.365 -0.786 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001134228956 830912795 /nfs/dbraw/zinc/91/27/95/830912795.db2.gz RJWDDUOVRUCETB-OLZOCXBDSA-N 1 0 319.409 -0.035 20 30 DBEDRO Cc1ccnc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134243571 830913542 /nfs/dbraw/zinc/91/35/42/830913542.db2.gz CALNCQKBYXHXBT-NWDGAFQWSA-N 1 0 318.381 -0.089 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134240239 830913830 /nfs/dbraw/zinc/91/38/30/830913830.db2.gz OEHHUEWPBPWATR-VXGBXAGGSA-N 1 0 322.409 -0.913 20 30 DBEDRO Cc1nnc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)o1 ZINC001134269070 830915965 /nfs/dbraw/zinc/91/59/65/830915965.db2.gz CYFSBRSRNQVIQY-NXEZZACHSA-N 1 0 322.369 -0.567 20 30 DBEDRO CNC(=O)NCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134269214 830916994 /nfs/dbraw/zinc/91/69/94/830916994.db2.gz FJQWLUHDMLKUJX-STQMWFEESA-N 1 0 312.414 -0.172 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134298819 830919843 /nfs/dbraw/zinc/91/98/43/830919843.db2.gz MPAMSVUIJZCKLI-GHMZBOCLSA-N 1 0 308.386 -0.396 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001134299339 830921118 /nfs/dbraw/zinc/92/11/18/830921118.db2.gz QZBRMHIWCRPGON-GHMZBOCLSA-N 1 0 321.381 -0.457 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001134299342 830921139 /nfs/dbraw/zinc/92/11/39/830921139.db2.gz QZBRMHIWCRPGON-WDEREUQCSA-N 1 0 321.381 -0.457 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]CCNS(C)(=O)=O ZINC001134321247 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C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001134614503 830957704 /nfs/dbraw/zinc/95/77/04/830957704.db2.gz ZCKDWKUPRBVPCZ-NEPJUHHUSA-N 1 0 310.398 -0.714 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001134643565 830960790 /nfs/dbraw/zinc/96/07/90/830960790.db2.gz CFMRBUFMAOBOTC-LBPRGKRZSA-N 1 0 302.396 -0.833 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)ncn1C ZINC001134652072 830961567 /nfs/dbraw/zinc/96/15/67/830961567.db2.gz FGEMAWYMRDCULH-RYUDHWBXSA-N 1 0 319.409 -0.036 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)ncn1C ZINC001134652073 830961569 /nfs/dbraw/zinc/96/15/69/830961569.db2.gz FGEMAWYMRDCULH-VXGBXAGGSA-N 1 0 319.409 -0.036 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655964 830962247 /nfs/dbraw/zinc/96/22/47/830962247.db2.gz QSIGSJHSSBWTFC-QWHCGFSZSA-N 1 0 313.398 -0.564 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001134657821 830963190 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ZINC001135075183 831006811 /nfs/dbraw/zinc/00/68/11/831006811.db2.gz AVRMEJGSTCTVHK-UHFFFAOYSA-N 1 0 320.397 -0.300 20 30 DBEDRO C=CCCn1cc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)nn1 ZINC001135075264 831008020 /nfs/dbraw/zinc/00/80/20/831008020.db2.gz CZHDNCOSJDANHC-LLVKDONJSA-N 1 0 306.370 -0.548 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1coc(OC)n1 ZINC001135092072 831009911 /nfs/dbraw/zinc/00/99/11/831009911.db2.gz HMTWEGXHKIBULM-MNOVXSKESA-N 1 0 322.365 -0.081 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135117994 831013359 /nfs/dbraw/zinc/01/33/59/831013359.db2.gz GENLBHTUPVNSNU-MNOVXSKESA-N 1 0 306.432 -0.511 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCn1ccnc1 ZINC001135132837 831014356 /nfs/dbraw/zinc/01/43/56/831014356.db2.gz VDPJRLVBRONMOP-CHWSQXEVSA-N 1 0 320.397 -0.214 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001135145178 831015032 /nfs/dbraw/zinc/01/50/32/831015032.db2.gz AFMFRQPZEYKDDX-RDBSUJKOSA-N 1 0 307.394 -0.189 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001135143114 831015066 /nfs/dbraw/zinc/01/50/66/831015066.db2.gz IOLDKSLMKCHPDT-WDEREUQCSA-N 1 0 305.382 -0.046 20 30 DBEDRO Cc1nn[nH]c1C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135161221 831017346 /nfs/dbraw/zinc/01/73/46/831017346.db2.gz KLOJRMXETDKBON-BDAKNGLRSA-N 1 0 307.358 -0.761 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)n1C)[NH2+]CC(=O)NCC#N ZINC001135188955 831021146 /nfs/dbraw/zinc/02/11/46/831021146.db2.gz RPARHHWICSZTHC-ZJUUUORDSA-N 1 0 322.369 -0.748 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001135188402 831021278 /nfs/dbraw/zinc/02/12/78/831021278.db2.gz KNCDZCLUCLDJAZ-QWRGUYRKSA-N 1 0 323.397 -0.086 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001135188403 831021371 /nfs/dbraw/zinc/02/13/71/831021371.db2.gz KNCDZCLUCLDJAZ-WDEREUQCSA-N 1 0 323.397 -0.086 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135199975 831023497 /nfs/dbraw/zinc/02/34/97/831023497.db2.gz PMUFPINTKHCTRX-UHFFFAOYSA-N 1 0 310.398 -0.557 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135205957 831024478 /nfs/dbraw/zinc/02/44/78/831024478.db2.gz OXWNUOKKNISWGU-LBPRGKRZSA-N 1 0 322.409 -0.721 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)COC2 ZINC001135211995 831025884 /nfs/dbraw/zinc/02/58/84/831025884.db2.gz GKPUXZJCGFDCQS-UHFFFAOYSA-N 1 0 302.334 -0.324 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCCC1 ZINC001135237291 831034858 /nfs/dbraw/zinc/03/48/58/831034858.db2.gz OLHXSXJDOFEFHF-UHFFFAOYSA-N 1 0 316.423 -0.301 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2nncn2c1 ZINC001135249993 831035635 /nfs/dbraw/zinc/03/56/35/831035635.db2.gz ICKSQKMSRZIZOU-LLVKDONJSA-N 1 0 314.349 -0.813 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccn2ccnc12 ZINC001135257273 831037626 /nfs/dbraw/zinc/03/76/26/831037626.db2.gz MXXSLFMEAGSSNY-LBPRGKRZSA-N 1 0 313.361 -0.208 20 30 DBEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)C1CC(=O)NC(=O)C1 ZINC001135270238 831041153 /nfs/dbraw/zinc/04/11/53/831041153.db2.gz VNTPNCSFIPFIFC-UHFFFAOYSA-N 1 0 313.357 -0.203 20 30 DBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)C2CC(=O)NC(=O)C2)cc1 ZINC001135270331 831041435 /nfs/dbraw/zinc/04/14/35/831041435.db2.gz XNGBUZYMFLMLCT-UHFFFAOYSA-N 1 0 314.345 -0.183 20 30 DBEDRO C=C(Br)C[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135277156 831043234 /nfs/dbraw/zinc/04/32/34/831043234.db2.gz YUXFFXJSSRMBNR-UHFFFAOYSA-N 1 0 318.171 -0.346 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnc(C)n1C ZINC001135282282 831043940 /nfs/dbraw/zinc/04/39/40/831043940.db2.gz OLVUFTHOQJABTE-RYUDHWBXSA-N 1 0 319.409 -0.036 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135341093 831055658 /nfs/dbraw/zinc/05/56/58/831055658.db2.gz YDZGCJFMCJUNIB-RYUDHWBXSA-N 1 0 312.414 -0.231 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COc1cccnc1 ZINC001135352569 831060722 /nfs/dbraw/zinc/06/07/22/831060722.db2.gz IBHGCIAEDKPCJB-GFCCVEGCSA-N 1 0 306.366 -0.143 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)NC(C)=O)C1=O ZINC001135375809 831061960 /nfs/dbraw/zinc/06/19/60/831061960.db2.gz YNDFHYDNHSYANL-LBPRGKRZSA-N 1 0 310.398 -0.606 20 30 DBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384594 831063986 /nfs/dbraw/zinc/06/39/86/831063986.db2.gz ICNUSOWNTHGGLZ-WCQYABFASA-N 1 0 312.414 -0.183 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc(CNC(C)=O)o1 ZINC001135397239 831066795 /nfs/dbraw/zinc/06/67/95/831066795.db2.gz MOJOIMANAKLEAL-UHFFFAOYSA-N 1 0 307.350 -0.115 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001135432671 831070273 /nfs/dbraw/zinc/07/02/73/831070273.db2.gz NTCVZXOFMCKJDP-GXFFZTMASA-N 1 0 319.409 -0.026 20 30 DBEDRO C[C@@H]1CN(C(=O)CC(C)(C)O)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001184273521 833754927 /nfs/dbraw/zinc/75/49/27/833754927.db2.gz KVDCGEWTBCWEHY-OLZOCXBDSA-N 1 0 324.425 -0.139 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc2ncccn2n1 ZINC001135550425 831086030 /nfs/dbraw/zinc/08/60/30/831086030.db2.gz IWHPZAAUVMLRAV-JTQLQIEISA-N 1 0 317.353 -0.866 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001135568643 831090185 /nfs/dbraw/zinc/09/01/85/831090185.db2.gz RCPGXDGEPKCCJO-VXGBXAGGSA-N 1 0 318.443 -0.721 20 30 DBEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC)nn1 ZINC001135639894 831098992 /nfs/dbraw/zinc/09/89/92/831098992.db2.gz SYHMEHCCTCHRFS-GHMZBOCLSA-N 1 0 308.386 -0.303 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001135664424 831102126 /nfs/dbraw/zinc/10/21/26/831102126.db2.gz GIIBRWHPYMFKAQ-VXGBXAGGSA-N 1 0 322.409 -0.865 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(OC)o1 ZINC001135663735 831102198 /nfs/dbraw/zinc/10/21/98/831102198.db2.gz JYNTUOGLFQDSRH-UHFFFAOYSA-N 1 0 324.337 -0.381 20 30 DBEDRO C=CCCn1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001135667485 831103149 /nfs/dbraw/zinc/10/31/49/831103149.db2.gz UBPXWKSFITXONX-WDEREUQCSA-N 1 0 308.386 -0.174 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccncn1 ZINC001135746976 831114881 /nfs/dbraw/zinc/11/48/81/831114881.db2.gz MCQXVXSQGYAQIX-WDEREUQCSA-N 1 0 304.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccnn1 ZINC001135739753 831115094 /nfs/dbraw/zinc/11/50/94/831115094.db2.gz RYWKPVVRUZPNLF-NWDGAFQWSA-N 1 0 303.366 -0.288 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCc1ccncc1 ZINC001135752981 831115842 /nfs/dbraw/zinc/11/58/42/831115842.db2.gz VSZIMGDBRRKWOB-CYBMUJFWSA-N 1 0 320.393 -0.005 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C(F)F)c1 ZINC001135790755 831123609 /nfs/dbraw/zinc/12/36/09/831123609.db2.gz OERGJQIULNUDCQ-UHFFFAOYSA-N 1 0 300.269 -0.763 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001135799222 831124679 /nfs/dbraw/zinc/12/46/79/831124679.db2.gz TYOMEIGRZVXSFQ-RYUDHWBXSA-N 1 0 305.382 -0.426 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1[C@H](C)CCC[C@H]1C ZINC001135913916 831136856 /nfs/dbraw/zinc/13/68/56/831136856.db2.gz OBICVXCFKCODND-CHWSQXEVSA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC001135913915 831137206 /nfs/dbraw/zinc/13/72/06/831137206.db2.gz OBICVXCFKCODND-BETUJISGSA-N 1 0 322.409 -0.769 20 30 DBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001135920519 831137927 /nfs/dbraw/zinc/13/79/27/831137927.db2.gz VTAUZOUSZJQVMF-RYUDHWBXSA-N 1 0 308.382 -0.223 20 30 DBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001135923492 831139070 /nfs/dbraw/zinc/13/90/70/831139070.db2.gz LDDPOOXQCQTRQG-ZJUUUORDSA-N 1 0 302.338 -0.463 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1cncn1C ZINC001135944621 831139791 /nfs/dbraw/zinc/13/97/91/831139791.db2.gz NGIUKJZWMFIWIL-VXGBXAGGSA-N 1 0 320.397 -0.525 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cncn1C ZINC001135943821 831139914 /nfs/dbraw/zinc/13/99/14/831139914.db2.gz AMSKZGZELPKDCS-STQMWFEESA-N 1 0 319.409 -0.415 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(CCC)nn1 ZINC001135973301 831144233 /nfs/dbraw/zinc/14/42/33/831144233.db2.gz VTCQNGHBZZOSDZ-NSHDSACASA-N 1 0 308.386 -0.302 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cn(C(C)C)nn2)C1=O ZINC001135992705 831145038 /nfs/dbraw/zinc/14/50/38/831145038.db2.gz MFDQLBKXIWSKBI-LBPRGKRZSA-N 1 0 320.397 -0.035 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136019888 831149607 /nfs/dbraw/zinc/14/96/07/831149607.db2.gz VACNQVGHBWYOFU-LBPRGKRZSA-N 1 0 321.381 -0.970 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136036761 831153113 /nfs/dbraw/zinc/15/31/13/831153113.db2.gz VRKZNZICYKENHL-JTQLQIEISA-N 1 0 310.354 -0.169 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn2nccc2nc1C ZINC001136041625 831153238 /nfs/dbraw/zinc/15/32/38/831153238.db2.gz MSHMTCGYKCUSRD-UHFFFAOYSA-N 1 0 314.349 -0.893 20 30 DBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136062926 831153971 /nfs/dbraw/zinc/15/39/71/831153971.db2.gz 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COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCN1CCOCC1 ZINC001268088897 835631303 /nfs/dbraw/zinc/63/13/03/835631303.db2.gz AWKXVAVJAKRFSG-OAHLLOKOSA-N 1 0 311.426 -0.205 20 30 DBEDRO C=CCn1cc(C(=O)N(C)[C@@H](C)C[NH2+]CCn2cncn2)nn1 ZINC001268088839 835631355 /nfs/dbraw/zinc/63/13/55/835631355.db2.gz FMINZXKVVGVSDL-LBPRGKRZSA-N 1 0 318.385 -0.194 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cn(CCC)nn1 ZINC001268093463 835631880 /nfs/dbraw/zinc/63/18/80/835631880.db2.gz QGJXLCPKMCIVNH-LBPRGKRZSA-N 1 0 320.397 -0.512 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ncccc1F ZINC001268092569 835631890 /nfs/dbraw/zinc/63/18/90/835631890.db2.gz LOBITHDLITTXKB-SNVBAGLBSA-N 1 0 307.329 -0.089 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001268093672 835631989 /nfs/dbraw/zinc/63/19/89/835631989.db2.gz CHBYFHJILWCBAV-NEPJUHHUSA-N 1 0 308.386 -0.595 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268093246 835632199 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DBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1ncccc1O)C(C)C ZINC001268206903 835638932 /nfs/dbraw/zinc/63/89/32/835638932.db2.gz AVPUFWVHLHCGEE-GFCCVEGCSA-N 1 0 318.377 -0.119 20 30 DBEDRO C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C(C)C ZINC001268208570 835639328 /nfs/dbraw/zinc/63/93/28/835639328.db2.gz KXXXKDGRECRIHU-KBPBESRZSA-N 1 0 309.410 -0.013 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001268220770 835640281 /nfs/dbraw/zinc/64/02/81/835640281.db2.gz UAHLZSHRLINEAV-MNOVXSKESA-N 1 0 323.401 -0.755 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001268220764 835640463 /nfs/dbraw/zinc/64/04/63/835640463.db2.gz UAHLZSHRLINEAV-GHMZBOCLSA-N 1 0 323.401 -0.755 20 30 DBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)CNC(=O)N1CCCC1 ZINC001268238057 835643149 /nfs/dbraw/zinc/64/31/49/835643149.db2.gz UZITYSSTCHBNRF-UHFFFAOYSA-N 1 0 324.425 -0.168 20 30 DBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001268250865 835644786 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COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cncn1 ZINC001268291800 835648764 /nfs/dbraw/zinc/64/87/64/835648764.db2.gz NQMXDTXVEMIXRV-UONOGXRCSA-N 1 0 305.382 -0.198 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ccnc1 ZINC001268296527 835650431 /nfs/dbraw/zinc/65/04/31/835650431.db2.gz YHXWBMIVKQAOIL-QWHCGFSZSA-N 1 0 318.381 -0.603 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001268298375 835651331 /nfs/dbraw/zinc/65/13/31/835651331.db2.gz JWOKNCOPRDGKKB-VXGBXAGGSA-N 1 0 323.397 -0.900 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1oc(C)cc1C ZINC001268301737 835651960 /nfs/dbraw/zinc/65/19/60/835651960.db2.gz NDYXRWVUDKVNFX-STQMWFEESA-N 1 0 321.377 -0.285 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC(F)(F)C1 ZINC001268303155 835652872 /nfs/dbraw/zinc/65/28/72/835652872.db2.gz YTGRTDCFDKODLT-JTQLQIEISA-N 1 0 305.325 -0.599 20 30 DBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1nccs1 ZINC001268303860 835653557 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COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001268311790 835658357 /nfs/dbraw/zinc/65/83/57/835658357.db2.gz PBMRNKYEVAOXAL-LLVKDONJSA-N 1 0 317.349 -0.712 20 30 DBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1ccon1 ZINC001268315317 835658856 /nfs/dbraw/zinc/65/88/56/835658856.db2.gz AOPXENHKIJRKOO-JTQLQIEISA-N 1 0 310.354 -0.108 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001268314401 835658944 /nfs/dbraw/zinc/65/89/44/835658944.db2.gz LHIZOKOYXXUVPN-SECBINFHSA-N 1 0 305.363 -0.153 20 30 DBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268316453 835659699 /nfs/dbraw/zinc/65/96/99/835659699.db2.gz SNQPBBIGPGBSLG-MNOVXSKESA-N 1 0 309.370 -0.811 20 30 DBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001268315755 835659725 /nfs/dbraw/zinc/65/97/25/835659725.db2.gz XTMZUQJTTGCUPW-NSHDSACASA-N 1 0 302.338 -0.933 20 30 DBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001268317020 835659759 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20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC1CC(F)(F)C1 ZINC001486010463 1013553958 /nfs/dbraw/zinc/55/39/58/1013553958.db2.gz JPTZWRPJAIPIQP-JTQLQIEISA-N 1 0 318.324 -0.872 20 30 DBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001486021232 1013574116 /nfs/dbraw/zinc/57/41/16/1013574116.db2.gz KQIUCMWTTHOXHD-NSHDSACASA-N 1 0 324.381 -0.228 20 30 DBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001486038264 1013604854 /nfs/dbraw/zinc/60/48/54/1013604854.db2.gz ZYASLBKIDQPDBV-GFCCVEGCSA-N 1 0 306.366 -0.383 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cc(C)[nH]c1C ZINC001486039078 1013608024 /nfs/dbraw/zinc/60/80/24/1013608024.db2.gz RTVPZWNHRITHNU-STQMWFEESA-N 1 0 320.393 -0.550 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cc(C)[nH]c1C ZINC001486039076 1013608869 /nfs/dbraw/zinc/60/88/69/1013608869.db2.gz RTVPZWNHRITHNU-OLZOCXBDSA-N 1 0 320.393 -0.550 20 30 DBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(S(C)(=O)=O)o1 ZINC001486040462 1013609900 /nfs/dbraw/zinc/60/99/00/1013609900.db2.gz XQHYZRCGLZUJTA-VIFPVBQESA-N 1 0 302.352 -0.451 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)COc1cccnc1 ZINC001486044063 1013613236 /nfs/dbraw/zinc/61/32/36/1013613236.db2.gz LLHDSVDWRZFDLH-ZDUSSCGKSA-N 1 0 307.350 -0.823 20 30 DBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001486043604 1013614420 /nfs/dbraw/zinc/61/44/20/1013614420.db2.gz RGEDIXWPHMUBEM-ILXRZTDVSA-N 1 0 310.394 -0.316 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001486045388 1013618526 /nfs/dbraw/zinc/61/85/26/1013618526.db2.gz URURZTKFTIHODP-CQSZACIVSA-N 1 0 313.361 -0.029 20 30 DBEDRO CCCn1cc(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)nn1 ZINC001486046917 1013620853 /nfs/dbraw/zinc/62/08/53/1013620853.db2.gz BHZMKSSQSIOTBD-GFCCVEGCSA-N 1 0 309.370 -0.982 20 30 DBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cccc2[nH]cnc21 ZINC001486046824 1013622066 /nfs/dbraw/zinc/62/20/66/1013622066.db2.gz YTQXJRAMZZZGDO-LBPRGKRZSA-N 1 0 316.361 -0.107 20 30 DBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cccc(-n2cncn2)n1 ZINC001486047575 1013624381 /nfs/dbraw/zinc/62/43/81/1013624381.db2.gz LFCAGMFWLJHOIK-NSHDSACASA-N 1 0 302.338 -0.471 20 30 DBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001486050332 1013627649 /nfs/dbraw/zinc/62/76/49/1013627649.db2.gz NVWZHZJAIVFLBZ-SNVBAGLBSA-N 1 0 303.322 -0.862 20 30 DBEDRO C#Cc1ccccc1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001486055673 1013634716 /nfs/dbraw/zinc/63/47/16/1013634716.db2.gz KVONKYGDUHTDJW-OAHLLOKOSA-N 1 0 317.389 -0.635 20 30 DBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2nnn(C)c2c1 ZINC001486056822 1013637053 /nfs/dbraw/zinc/63/70/53/1013637053.db2.gz UKFNMIVIOXJHKD-GFCCVEGCSA-N 1 0 301.350 -0.328 20 30 DBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC001486058233 1013639932 /nfs/dbraw/zinc/63/99/32/1013639932.db2.gz CZXLVMFUAWAXHZ-CYBMUJFWSA-N 1 0 304.346 -0.300 20 30 DBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cc1ccon1 ZINC001486075408 1013657788 /nfs/dbraw/zinc/65/77/88/1013657788.db2.gz LEUZYNLSLZNQMG-ZYHUDNBSSA-N 1 0 305.338 -0.564 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C ZINC001486077759 1013662190 /nfs/dbraw/zinc/66/21/90/1013662190.db2.gz DQVRJCKXHALFAF-NEPJUHHUSA-N 1 0 301.412 -0.520 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC001486083627 1013665712 /nfs/dbraw/zinc/66/57/12/1013665712.db2.gz DPNPJGSEKNKAME-BIGJJFBESA-N 1 0 307.394 -0.240 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC001486090674 1013667189 /nfs/dbraw/zinc/66/71/89/1013667189.db2.gz LXECAEAONSUBKV-VXGBXAGGSA-N 1 0 303.366 -0.719 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)[C@H]2C)nn1 ZINC001486092028 1013668783 /nfs/dbraw/zinc/66/87/83/1013668783.db2.gz XVTUGGYRISRGBH-GHMZBOCLSA-N 1 0 306.370 -0.597 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001486095250 1013672517 /nfs/dbraw/zinc/67/25/17/1013672517.db2.gz HXSGRUXUYLJYTP-VXGBXAGGSA-N 1 0 306.370 -0.841 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CSCC#N)C1 ZINC001486102903 1013673720 /nfs/dbraw/zinc/67/37/20/1013673720.db2.gz XSQDXWHLGYCDBG-NWDGAFQWSA-N 1 0 308.407 -0.428 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001486102458 1013675163 /nfs/dbraw/zinc/67/51/63/1013675163.db2.gz VALBAYKPQOCNBS-GHMZBOCLSA-N 1 0 319.365 -0.323 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cccn2)C1 ZINC001486101112 1013675645 /nfs/dbraw/zinc/67/56/45/1013675645.db2.gz MMRBHJFGGBTDNX-UONOGXRCSA-N 1 0 317.393 -0.398 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnnn2CC)C1 ZINC001486106882 1013680007 /nfs/dbraw/zinc/68/00/07/1013680007.db2.gz BFVXVSWHNMGWTK-NEPJUHHUSA-N 1 0 318.381 -0.760 20 30 DBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001486124674 1013689048 /nfs/dbraw/zinc/68/90/48/1013689048.db2.gz RXCCZISPWJTNAD-GHMZBOCLSA-N 1 0 320.349 -0.991 20 30 DBEDRO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001486129940 1013694296 /nfs/dbraw/zinc/69/42/96/1013694296.db2.gz PFWWRXWBWWJRRB-NWDGAFQWSA-N 1 0 301.412 -0.520 20 30 DBEDRO CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C1 ZINC001486155369 1013697127 /nfs/dbraw/zinc/69/71/27/1013697127.db2.gz IJADVXYHDCGTFV-MJBXVCDLSA-N 1 0 322.409 -0.121 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C1 ZINC001486194542 1013708896 /nfs/dbraw/zinc/70/88/96/1013708896.db2.gz HPXSYCJLTSUTBV-GHMZBOCLSA-N 1 0 305.338 -0.198 20 30 DBEDRO Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001486196183 1013709793 /nfs/dbraw/zinc/70/97/93/1013709793.db2.gz OZOVMTVHABIUNU-NWDGAFQWSA-N 1 0 318.381 -0.154 20 30 DBEDRO CCC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001486198500 1013712805 /nfs/dbraw/zinc/71/28/05/1013712805.db2.gz ZJJQKEJAKICAMJ-NEPJUHHUSA-N 1 0 323.397 -0.973 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001486201292 1013713087 /nfs/dbraw/zinc/71/30/87/1013713087.db2.gz DKTLJXBKYTZCDZ-NEPJUHHUSA-N 1 0 301.412 -0.567 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001486210895 1013714113 /nfs/dbraw/zinc/71/41/13/1013714113.db2.gz QWOHVGFXVVKRLF-XOBFJNJYSA-N 1 0 320.393 -0.607 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001486211407 1013714286 /nfs/dbraw/zinc/71/42/86/1013714286.db2.gz CCNHNXRQUXIHLL-VXGBXAGGSA-N 1 0 318.443 -0.557 20 30 DBEDRO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(N)=O)C2)nn1 ZINC001486214010 1013715271 /nfs/dbraw/zinc/71/52/71/1013715271.db2.gz DUGMPWMZIUUCAI-NWDGAFQWSA-N 1 0 320.397 -0.172 20 30 DBEDRO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001486222386 1013717534 /nfs/dbraw/zinc/71/75/34/1013717534.db2.gz YDAFXILELPZXEP-NEPJUHHUSA-N 1 0 320.397 -0.172 20 30 DBEDRO Cn1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001486219136 1013716194 /nfs/dbraw/zinc/71/61/94/1013716194.db2.gz BZNMWMQRAIFSEN-VXGBXAGGSA-N 1 0 318.381 -0.452 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001486216873 1013718138 /nfs/dbraw/zinc/71/81/38/1013718138.db2.gz VFFAEBSMKSYICI-MNOVXSKESA-N 1 0 304.354 -0.958 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCC)CC1(C)C ZINC001486226476 1013719044 /nfs/dbraw/zinc/71/90/44/1013719044.db2.gz MWMBHCDXIZIWGI-CHWSQXEVSA-N 1 0 309.410 -0.013 20 30 DBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)CC1(C)C ZINC001486236444 1013722824 /nfs/dbraw/zinc/72/28/24/1013722824.db2.gz SDPPEKTWFHGFQW-GFCCVEGCSA-N 1 0 305.382 -0.568 20 30 DBEDRO C=CCC[NH2+][C@H]1CN(C(=O)CNS(=O)(=O)NC)CC1(C)C ZINC001486237581 1013723515 /nfs/dbraw/zinc/72/35/15/1013723515.db2.gz HEYUKKKIYOLXNP-NSHDSACASA-N 1 0 318.443 -0.557 20 30 DBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)CC1(C)C ZINC001486250516 1013730066 /nfs/dbraw/zinc/73/00/66/1013730066.db2.gz RKQRAXDOUROKSW-GFCCVEGCSA-N 1 0 318.381 -0.773 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(F)cc1 ZINC001486258098 1013736910 /nfs/dbraw/zinc/73/69/10/1013736910.db2.gz QARUBDUCWHRDHQ-AWEZNQCLSA-N 1 0 321.352 -0.402 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1occc1C ZINC001486261288 1013740236 /nfs/dbraw/zinc/74/02/36/1013740236.db2.gz GMIOJPCHRXFYRG-CHWSQXEVSA-N 1 0 321.377 -0.252 20 30 DBEDRO CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)c1ccc(C#N)[nH]1 ZINC001486270672 1013761852 /nfs/dbraw/zinc/76/18/52/1013761852.db2.gz GQZYDFGXHCQWDT-WCQYABFASA-N 1 0 306.366 -0.055 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC1(F)F ZINC001486275354 1013771408 /nfs/dbraw/zinc/77/14/08/1013771408.db2.gz XOLMODLXHPMYND-NXEZZACHSA-N 1 0 305.325 -0.647 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)=C1CCC1 ZINC001486277435 1013774468 /nfs/dbraw/zinc/77/44/68/1013774468.db2.gz WRZNPJMOAAEQRK-CQSZACIVSA-N 1 0 307.394 -0.355 20 30 DBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1nc2ncc(C)cn2n1 ZINC001486282863 1013782379 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C=C(Cl)C[NH2+]C1(CNC(=O)CNS(=O)(=O)NC)CC1 ZINC001375454459 989609216 /nfs/dbraw/zinc/60/92/16/989609216.db2.gz MKVTWQWOZWMCPJ-UHFFFAOYSA-N 1 0 310.807 -0.969 20 30 DBEDRO C[C@H](CNC(=O)c1conc1C1CC1)[NH2+]CC(=O)NCC#N ZINC001491579083 1015502196 /nfs/dbraw/zinc/50/21/96/1015502196.db2.gz QRYHOXGIQUPNON-SECBINFHSA-N 1 0 305.338 -0.100 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccnc(C2CC2)n1 ZINC001491598120 1015509202 /nfs/dbraw/zinc/50/92/02/1015509202.db2.gz YFCSJHCHHWQKGG-NSHDSACASA-N 1 0 315.377 -0.189 20 30 DBEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001375744934 989788406 /nfs/dbraw/zinc/78/84/06/989788406.db2.gz BILWZPZSGPREHH-CHWSQXEVSA-N 1 0 308.382 -0.415 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccc(C)[nH]c1=O ZINC001491591442 1015507480 /nfs/dbraw/zinc/50/74/80/1015507480.db2.gz WEGQXPITYKREAP-NSHDSACASA-N 1 0 304.350 -0.447 20 30 DBEDRO Cc1cnc(CN2CC[C@@](O)(CNC(=O)[C@H](C)C#N)C2)nc1 ZINC001376005873 989841959 /nfs/dbraw/zinc/84/19/59/989841959.db2.gz ODBDLZNNZNYBJK-IUODEOHRSA-N 1 0 303.366 -0.002 20 30 DBEDRO COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001376012267 989843976 /nfs/dbraw/zinc/84/39/76/989843976.db2.gz VVOHZMHPMZEMCN-SWLSCSKDSA-N 1 0 322.365 -0.940 20 30 DBEDRO COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001376036581 989851695 /nfs/dbraw/zinc/85/16/95/989851695.db2.gz OGQUKAZYKANERA-UKRRQHHQSA-N 1 0 322.365 -0.940 20 30 DBEDRO CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001491604807 1015513514 /nfs/dbraw/zinc/51/35/14/1015513514.db2.gz SUUHSTGUZQPWBK-NEPJUHHUSA-N 1 0 303.428 -0.322 20 30 DBEDRO C=CCC[NH2+][C@H](C)CNC(=O)C1(n2cnnn2)CCOCC1 ZINC001491604335 1015513710 /nfs/dbraw/zinc/51/37/10/1015513710.db2.gz DRQUMIGKAROXAT-GFCCVEGCSA-N 1 0 308.386 -0.151 20 30 DBEDRO C=CCCn1cc(C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)nn1 ZINC001491605880 1015513929 /nfs/dbraw/zinc/51/39/29/1015513929.db2.gz PVGWAPKSIIPXLS-NSHDSACASA-N 1 0 308.386 -0.350 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001491608743 1015516842 /nfs/dbraw/zinc/51/68/42/1015516842.db2.gz SXHNSCSPXKWPMU-NSHDSACASA-N 1 0 321.385 -0.715 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001376362468 990035515 /nfs/dbraw/zinc/03/55/15/990035515.db2.gz LRSDYRPCCLIYII-GXSJLCMTSA-N 1 0 323.846 -0.028 20 30 DBEDRO C#CCO[C@@H](C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001542655935 1015534060 /nfs/dbraw/zinc/53/40/60/1015534060.db2.gz QSLDAZIOCIVLFL-JSGCOSHPSA-N 1 0 307.394 -0.035 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)COc1ccsc1 ZINC001491641081 1015540812 /nfs/dbraw/zinc/54/08/12/1015540812.db2.gz NLMBQGXDGLOTCW-NSHDSACASA-N 1 0 309.391 -0.029 20 30 DBEDRO C[NH+](C)CCCC(=O)NC[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001376579167 990199184 /nfs/dbraw/zinc/19/91/84/990199184.db2.gz GHSHHAAKIGIZGT-LBPRGKRZSA-N 1 0 321.381 -0.565 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1cncn1C ZINC001491655744 1015551598 /nfs/dbraw/zinc/55/15/98/1015551598.db2.gz BULYOKFBOLGTAN-GFCCVEGCSA-N 1 0 305.382 -0.804 20 30 DBEDRO CCN(CC)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001376852693 990351675 /nfs/dbraw/zinc/35/16/75/990351675.db2.gz HWWFRPSUKPJFQJ-OLZOCXBDSA-N 1 0 310.398 -0.169 20 30 DBEDRO N#Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)c[nH]1 ZINC001376894997 990371775 /nfs/dbraw/zinc/37/17/75/990371775.db2.gz GDNWJNPCYUUWEK-LBPRGKRZSA-N 1 0 301.350 -0.031 20 30 DBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001376896839 990374670 /nfs/dbraw/zinc/37/46/70/990374670.db2.gz WMZOAHFEEYUKNP-KOLCDFICSA-N 1 0 307.354 -0.675 20 30 DBEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ncnn2C)CCOCC1 ZINC001377183042 990474178 /nfs/dbraw/zinc/47/41/78/990474178.db2.gz IYFIQZSEJNGQDR-LLVKDONJSA-N 1 0 306.370 -0.270 20 30 DBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001491701483 1015583018 /nfs/dbraw/zinc/58/30/18/1015583018.db2.gz RVPVIJXIWGYYSN-HUUCEWRRSA-N 1 0 321.421 -0.009 20 30 DBEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001377802818 990739416 /nfs/dbraw/zinc/73/94/16/990739416.db2.gz ROTANKJOSQXBHT-RKDXNWHRSA-N 1 0 314.777 -0.388 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCOCC#C)C1 ZINC001491706760 1015586193 /nfs/dbraw/zinc/58/61/93/1015586193.db2.gz XBTLWWBZTFIBQN-OAHLLOKOSA-N 1 0 319.405 -0.396 20 30 DBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001491705882 1015586343 /nfs/dbraw/zinc/58/63/43/1015586343.db2.gz QIKIRASHBXPFRA-GJZGRUSLSA-N 1 0 321.421 -0.011 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001491721673 1015590147 /nfs/dbraw/zinc/59/01/47/1015590147.db2.gz YTIXPMQYBVGNDX-GFCCVEGCSA-N 1 0 303.366 -0.544 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC001491718024 1015590212 /nfs/dbraw/zinc/59/02/12/1015590212.db2.gz RJYIRUDHHBESPN-LBPRGKRZSA-N 1 0 303.366 -0.718 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001491721093 1015592421 /nfs/dbraw/zinc/59/24/21/1015592421.db2.gz IKOLSNUAFXHRBA-LBPRGKRZSA-N 1 0 301.350 -0.007 20 30 DBEDRO CCO[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)C(C)C ZINC001491725141 1015593927 /nfs/dbraw/zinc/59/39/27/1015593927.db2.gz XCWVPOFRSPZPMD-GXTWGEPZSA-N 1 0 310.398 -0.122 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COCC(F)F)C1 ZINC001491741208 1015600526 /nfs/dbraw/zinc/60/05/26/1015600526.db2.gz WDXIKKMZTVCPPV-QWRGUYRKSA-N 1 0 317.336 -0.404 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](C)C[NH2+]CC(=O)Nc1cnccn1 ZINC001378561814 991036357 /nfs/dbraw/zinc/03/63/57/991036357.db2.gz UHECZQKFJWCQLI-GHMZBOCLSA-N 1 0 304.354 -0.083 20 30 DBEDRO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CSCC#N)C2)C1=O ZINC001491785407 1015619759 /nfs/dbraw/zinc/61/97/59/1015619759.db2.gz AKSNARGIXXHZLW-RYUDHWBXSA-N 1 0 310.423 -0.088 20 30 DBEDRO C[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)n1cccn1 ZINC001491786107 1015620218 /nfs/dbraw/zinc/62/02/18/1015620218.db2.gz JXMAFIQSFXZCSI-CHWSQXEVSA-N 1 0 318.381 -0.478 20 30 DBEDRO CCOCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001491792873 1015625475 /nfs/dbraw/zinc/62/54/75/1015625475.db2.gz ZTFVNVJVYBOJPC-CHWSQXEVSA-N 1 0 310.398 -0.263 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001491798376 1015628381 /nfs/dbraw/zinc/62/83/81/1015628381.db2.gz UAOLUGRDWHHKSA-NHYWBVRUSA-N 1 0 323.397 -0.626 20 30 DBEDRO CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001491800315 1015630672 /nfs/dbraw/zinc/63/06/72/1015630672.db2.gz ISLLPJCQVGTTBO-ZDUSSCGKSA-N 1 0 320.393 -0.316 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001491800349 1015630753 /nfs/dbraw/zinc/63/07/53/1015630753.db2.gz JFNXHLZXBWYUBA-ZIAGYGMSSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001491800348 1015629645 /nfs/dbraw/zinc/62/96/45/1015629645.db2.gz JFNXHLZXBWYUBA-UONOGXRCSA-N 1 0 307.394 -0.257 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001491801049 1015630286 /nfs/dbraw/zinc/63/02/86/1015630286.db2.gz VVUITWCZFQDEQM-ZDUSSCGKSA-N 1 0 305.382 -0.207 20 30 DBEDRO Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001379181157 991390999 /nfs/dbraw/zinc/39/09/99/991390999.db2.gz MANBKZIDIFNPKV-GFCCVEGCSA-N 1 0 302.338 -0.500 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001379183422 991392421 /nfs/dbraw/zinc/39/24/21/991392421.db2.gz HJBHFUWIMGQJCL-STQMWFEESA-N 1 0 310.398 -0.385 20 30 DBEDRO CC(C)N(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)C(C)C ZINC001379189829 991399919 /nfs/dbraw/zinc/39/99/19/991399919.db2.gz OPFGUDQTVJEFOB-STQMWFEESA-N 1 0 312.414 -0.142 20 30 DBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)c1ccccc1 ZINC001379192129 991402805 /nfs/dbraw/zinc/40/28/05/991402805.db2.gz VZKIRJGRHNMXGN-TZMCWYRMSA-N 1 0 318.377 -0.124 20 30 DBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001491809740 1015635316 /nfs/dbraw/zinc/63/53/16/1015635316.db2.gz ZNNQVSMWNVKDOS-ZDUSSCGKSA-N 1 0 313.423 -0.517 20 30 DBEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379239084 991465872 /nfs/dbraw/zinc/46/58/72/991465872.db2.gz ZPCYUBJCLLGVLX-BDAKNGLRSA-N 1 0 302.762 -0.227 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001379241349 991467945 /nfs/dbraw/zinc/46/79/45/991467945.db2.gz KVBHZLPKDNIZJK-MRVPVSSYSA-N 1 0 300.746 -0.454 20 30 DBEDRO C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001379248200 991474894 /nfs/dbraw/zinc/47/48/94/991474894.db2.gz NVZRTNCKJBWIRX-SNVBAGLBSA-N 1 0 317.187 -0.073 20 30 DBEDRO C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001491828742 1015641317 /nfs/dbraw/zinc/64/13/17/1015641317.db2.gz YCLDRDSFFPJQFL-AWEZNQCLSA-N 1 0 324.425 -0.941 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001491813998 1015637986 /nfs/dbraw/zinc/63/79/86/1015637986.db2.gz FWSWJIHCIFIGFI-CYBMUJFWSA-N 1 0 316.423 -0.491 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncn3nccc3c2=O)C1 ZINC001491837762 1015646531 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C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C1CCC1 ZINC001497025731 1017204873 /nfs/dbraw/zinc/20/48/73/1017204873.db2.gz RRSSNMWLTISMRT-ZDUSSCGKSA-N 1 0 309.410 -0.371 20 30 DBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2cc(C)nn2c1C ZINC001497030484 1017207681 /nfs/dbraw/zinc/20/76/81/1017207681.db2.gz RWEDOWHECAKSLD-LBPRGKRZSA-N 1 0 301.350 -0.340 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001497033248 1017212996 /nfs/dbraw/zinc/21/29/96/1017212996.db2.gz OXEUCXIJADVBOX-GFCCVEGCSA-N 1 0 306.366 -0.899 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001497040639 1017218352 /nfs/dbraw/zinc/21/83/52/1017218352.db2.gz NHKKATRATXRKOM-QWHCGFSZSA-N 1 0 322.365 -0.929 20 30 DBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1nnn2C ZINC001497050699 1017223306 /nfs/dbraw/zinc/22/33/06/1017223306.db2.gz KFDGZJJUZITQQW-SNVBAGLBSA-N 1 0 302.338 -0.933 20 30 DBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001497092137 1017260104 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/nfs/dbraw/zinc/44/40/27/1017444027.db2.gz NQROHRYDOXIOHD-WYGGZMRJSA-N 1 0 317.349 -0.804 20 30 DBEDRO C=C(Cl)C[NH2+]C/C=C\CNC(=O)CN1CCN(C)C(=O)C1 ZINC001497620168 1017447465 /nfs/dbraw/zinc/44/74/65/1017447465.db2.gz RFZVDTGOSAOBBD-ARJAWSKDSA-N 1 0 314.817 -0.225 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001497637057 1017451082 /nfs/dbraw/zinc/45/10/82/1017451082.db2.gz AZYLTSDYEKSWET-IHDARNGBSA-N 1 0 307.394 -0.187 20 30 DBEDRO C#Cc1cncc(C(=O)NC/C=C/C[NH2+]C[C@H](O)COC)c1 ZINC001497673527 1017465104 /nfs/dbraw/zinc/46/51/04/1017465104.db2.gz OIPPSTJHSBVENE-RGDDUWESSA-N 1 0 303.362 -0.054 20 30 DBEDRO Cc1ccnn1CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497691347 1017470753 /nfs/dbraw/zinc/47/07/53/1017470753.db2.gz FRKVJKADCSRJRV-IHWYPQMZSA-N 1 0 304.354 -0.907 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cc1nonc1C ZINC001497714294 1017475928 /nfs/dbraw/zinc/47/59/28/1017475928.db2.gz YGMCTAINHMQCAO-FOQNGQEVSA-N 1 0 319.365 -0.680 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cc1nonc1C ZINC001497714292 1017477031 /nfs/dbraw/zinc/47/70/31/1017477031.db2.gz YGMCTAINHMQCAO-FJOGCWAESA-N 1 0 319.365 -0.680 20 30 DBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cccc(OC)n1 ZINC001497714220 1017477103 /nfs/dbraw/zinc/47/71/03/1017477103.db2.gz XLSLRIWKAMEJTB-PLNGDYQASA-N 1 0 316.361 -0.285 20 30 DBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+]C[C@H](O)COC)cn1 ZINC001497725192 1017478758 /nfs/dbraw/zinc/47/87/58/1017478758.db2.gz JPXXFNGDRAQSDE-XVWMLYKFSA-N 1 0 303.362 -0.054 20 30 DBEDRO C=CC[NH2+]C/C=C/CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001497723394 1017480182 /nfs/dbraw/zinc/48/01/82/1017480182.db2.gz SHSBSAMBONHIRK-SNAWJCMRSA-N 1 0 305.382 -0.171 20 30 DBEDRO CC#CC[NH2+]C/C=C/CNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001497736049 1017481993 /nfs/dbraw/zinc/48/19/93/1017481993.db2.gz ZTHRSJORCWRAEF-VBROQKIQSA-N 1 0 313.423 -0.256 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)c2cnccn2)C1=O ZINC001497782128 1017494588 /nfs/dbraw/zinc/49/45/88/1017494588.db2.gz PQNAHFWZDSBBIJ-NEPJUHHUSA-N 1 0 303.366 -0.029 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnc(C)cn1 ZINC001497782707 1017496048 /nfs/dbraw/zinc/49/60/48/1017496048.db2.gz FVSRVTCFAUUUAE-VXGBXAGGSA-N 1 0 303.366 -0.369 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccn1C ZINC001497788636 1017499282 /nfs/dbraw/zinc/49/92/82/1017499282.db2.gz AMDNBVCAJSRXJQ-LLVKDONJSA-N 1 0 321.381 -0.255 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccnc2[nH]cnc21 ZINC001497822781 1017511938 /nfs/dbraw/zinc/51/19/38/1017511938.db2.gz KEKFJOBMUYLOKT-SNVBAGLBSA-N 1 0 316.365 -0.032 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1ccnn1C ZINC001497823403 1017514280 /nfs/dbraw/zinc/51/42/80/1017514280.db2.gz YACXEQZYDGZYNN-LLVKDONJSA-N 1 0 306.370 -0.913 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001497890869 1017537731 /nfs/dbraw/zinc/53/77/31/1017537731.db2.gz UBPDLTSLEBTDFD-LLVKDONJSA-N 1 0 319.365 -0.546 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCc2cccnc21 ZINC001497891349 1017539391 /nfs/dbraw/zinc/53/93/91/1017539391.db2.gz SUJDLZSHIWOBDB-YPMHNXCESA-N 1 0 315.377 -0.155 20 30 DBEDRO Cc1cc(C2(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)CC2)on1 ZINC001497889138 1017539871 /nfs/dbraw/zinc/53/98/71/1017539871.db2.gz LTJWKQNSMPVRPQ-LLVKDONJSA-N 1 0 319.365 -0.251 20 30 DBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001497999480 1017569971 /nfs/dbraw/zinc/56/99/71/1017569971.db2.gz JUBVKIYBTWYOJI-ABAIWWIYSA-N 1 0 323.397 -0.831 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001498008732 1017573442 /nfs/dbraw/zinc/57/34/42/1017573442.db2.gz FVSRVTCFAUUUAE-RYUDHWBXSA-N 1 0 303.366 -0.369 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001498021546 1017580517 /nfs/dbraw/zinc/58/05/17/1017580517.db2.gz LVYXMZCCMOEIQM-NWDGAFQWSA-N 1 0 307.398 -0.252 20 30 DBEDRO CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCOC1 ZINC001498020044 1017581061 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DBEDRO C=CCNC(=O)C[NH2+]C1(CNC(=O)CC2OCCCO2)CC1 ZINC001499209491 1018030221 /nfs/dbraw/zinc/03/02/21/1018030221.db2.gz VTIYIXFFZRPNFP-UHFFFAOYSA-N 1 0 311.382 -0.320 20 30 DBEDRO C=C[C@](C)(O)CC(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001499213010 1018031039 /nfs/dbraw/zinc/03/10/39/1018031039.db2.gz YSXXLPTTWQQZDP-HNNXBMFYSA-N 1 0 323.393 -0.299 20 30 DBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001602687567 1018043807 /nfs/dbraw/zinc/04/38/07/1018043807.db2.gz CQOHSWPDBPLZLW-NEPJUHHUSA-N 1 0 303.322 -0.810 20 30 DBEDRO C=C(Cl)C[NH2+]C1(CNC(=O)CNC(=O)CNC(C)=O)CC1 ZINC001499266890 1018050004 /nfs/dbraw/zinc/05/00/04/1018050004.db2.gz QENABBHGLKGRRE-UHFFFAOYSA-N 1 0 316.789 -0.770 20 30 DBEDRO C=CCCC[NH2+]C1(CNC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC001499273244 1018053019 /nfs/dbraw/zinc/05/30/19/1018053019.db2.gz ZBPOBKHEXAFRKS-UHFFFAOYSA-N 1 0 308.426 -0.035 20 30 DBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001602762844 1018060728 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20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(C)o1 ZINC001568555741 1024936618 /nfs/dbraw/zinc/93/66/18/1024936618.db2.gz IYVAIKWKQDLRKR-QWHCGFSZSA-N 1 0 321.377 -0.665 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C=C1CCC1 ZINC001568554821 1024937532 /nfs/dbraw/zinc/93/75/32/1024937532.db2.gz RPBOKZRPVAPOTB-LBPRGKRZSA-N 1 0 324.381 -0.825 20 30 DBEDRO CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001568558695 1024939204 /nfs/dbraw/zinc/93/92/04/1024939204.db2.gz UZLBRSNBBIBHLW-CYBMUJFWSA-N 1 0 307.398 -0.167 20 30 DBEDRO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001568560515 1024939560 /nfs/dbraw/zinc/93/95/60/1024939560.db2.gz VRCFRUGXVBDTSQ-ZDUSSCGKSA-N 1 0 307.398 -0.086 20 30 DBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001568558679 1024940334 /nfs/dbraw/zinc/94/03/34/1024940334.db2.gz UUMJVCFMCDASPZ-CHWSQXEVSA-N 1 0 305.382 -0.364 20 30 DBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C ZINC001568557785 1024940535 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317.393 -0.030 20 30 DBEDRO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129060377 830151411 /nfs/dbraw/zinc/15/14/11/830151411.db2.gz OPFWTUGWNZNZOB-NEPJUHHUSA-N 1 0 320.397 -0.293 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnn(C)c1C ZINC001129064776 830152410 /nfs/dbraw/zinc/15/24/10/830152410.db2.gz FIXYDFZLULGOBD-NSHDSACASA-N 1 0 307.398 -0.332 20 30 DBEDRO CCn1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1C1CC1 ZINC001129103455 830153359 /nfs/dbraw/zinc/15/33/59/830153359.db2.gz DVLNGBINDHRWMW-UHFFFAOYSA-N 1 0 318.381 -0.260 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCCn2ccnn2)C1=O ZINC001129172744 830156904 /nfs/dbraw/zinc/15/69/04/830156904.db2.gz UOLJRDQOAXLYSV-ZDUSSCGKSA-N 1 0 320.397 -0.449 20 30 DBEDRO Cn1ncc(C2CC2)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129176482 830157358 /nfs/dbraw/zinc/15/73/58/830157358.db2.gz VJEDFPOUGOBPOG-UHFFFAOYSA-N 1 0 304.354 -0.743 20 30 DBEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129210381 830159583 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DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc2n[nH]cc2c1 ZINC001130099146 830262792 /nfs/dbraw/zinc/26/27/92/830262792.db2.gz WZLRGYXGCHCOPO-JTQLQIEISA-N 1 0 316.365 -0.032 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COCc1cc(C)no1 ZINC001130118082 830265258 /nfs/dbraw/zinc/26/52/58/830265258.db2.gz MMTRSDCMXHOMDX-UHFFFAOYSA-N 1 0 310.354 -0.492 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1cc(C)on1 ZINC001130117873 830265563 /nfs/dbraw/zinc/26/55/63/830265563.db2.gz DPLJHOKHNPPKJV-LBPRGKRZSA-N 1 0 324.381 -0.104 20 30 DBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001130118814 830266494 /nfs/dbraw/zinc/26/64/94/830266494.db2.gz OZANZNVMIULSKL-NEPJUHHUSA-N 1 0 321.385 -0.746 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCc1ccnn1C ZINC001130122120 830267089 /nfs/dbraw/zinc/26/70/89/830267089.db2.gz KZUNAVFVCVLVKO-LBPRGKRZSA-N 1 0 323.397 -0.667 20 30 DBEDRO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130151277 830270540 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C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001133799407 830827991 /nfs/dbraw/zinc/82/79/91/830827991.db2.gz SVDJEYJLCUBUHY-DTWKUNHWSA-N 1 0 310.383 -0.336 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnns1 ZINC001133801642 830828839 /nfs/dbraw/zinc/82/88/39/830828839.db2.gz ARIMINVPADOERH-UWVGGRQHSA-N 1 0 309.395 -0.226 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnns1 ZINC001133801643 830828945 /nfs/dbraw/zinc/82/89/45/830828945.db2.gz ARIMINVPADOERH-VHSXEESVSA-N 1 0 309.395 -0.226 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)nn1C ZINC001133831091 830831961 /nfs/dbraw/zinc/83/19/61/830831961.db2.gz RLOXIGQGCUHUSJ-MNOVXSKESA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C)nn1C ZINC001133831779 830833855 /nfs/dbraw/zinc/83/38/55/830833855.db2.gz XDJHFBNQAYDBMC-NWDGAFQWSA-N 1 0 319.409 -0.036 20 30 DBEDRO Cc1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001133865591 830840711 /nfs/dbraw/zinc/84/07/11/830840711.db2.gz DLNJDKQQAGYUKE-UWVGGRQHSA-N 1 0 306.370 -0.156 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccnn1C ZINC001133872518 830846582 /nfs/dbraw/zinc/84/65/82/830846582.db2.gz WBOFSGZKKLNFAX-NEPJUHHUSA-N 1 0 305.382 -0.344 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC(=O)NCC ZINC001133904039 830852672 /nfs/dbraw/zinc/85/26/72/830852672.db2.gz BFZUWLBCLXVUQG-OLZOCXBDSA-N 1 0 324.425 -0.475 20 30 DBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001133909322 830853708 /nfs/dbraw/zinc/85/37/08/830853708.db2.gz KACSUYWYLCLUGA-GHMZBOCLSA-N 1 0 314.386 -0.483 20 30 DBEDRO Cc1ncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001133916045 830854165 /nfs/dbraw/zinc/85/41/65/830854165.db2.gz BYFVDMIVIILILV-NXEZZACHSA-N 1 0 306.370 -0.156 20 30 DBEDRO Cc1ncc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[nH]1 ZINC001133916048 830854485 /nfs/dbraw/zinc/85/44/85/830854485.db2.gz BYFVDMIVIILILV-ZJUUUORDSA-N 1 0 306.370 -0.156 20 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FPYPVDURZOSFNR-CYBMUJFWSA-N 1 0 305.382 -0.316 20 30 DBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCc2cn[nH]n2)C1=O ZINC001134016834 830876254 /nfs/dbraw/zinc/87/62/54/830876254.db2.gz UHHWQAUMLMSWCF-LBPRGKRZSA-N 1 0 306.370 -0.770 20 30 DBEDRO C[C@H](OCc1ccncc1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134024603 830878959 /nfs/dbraw/zinc/87/89/59/830878959.db2.gz DAYPBGRAZFTTIP-LBPRGKRZSA-N 1 0 319.365 -0.668 20 30 DBEDRO C[C@H](C[C@H](C)NC(=O)CCc1nnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001134040958 830882572 /nfs/dbraw/zinc/88/25/72/830882572.db2.gz ALDNHGXNPJXQHK-MNOVXSKESA-N 1 0 321.385 -0.750 20 30 DBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001134052930 830884576 /nfs/dbraw/zinc/88/45/76/830884576.db2.gz GKNLSETWFCVPKW-KGLIPLIRSA-N 1 0 313.398 -0.564 20 30 DBEDRO Cn1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2c1CCCC2 ZINC001134114759 830893469 /nfs/dbraw/zinc/89/34/69/830893469.db2.gz ZLMWKESSHZUAGZ-UHFFFAOYSA-N 1 0 318.381 -0.742 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001134130694 830896128 /nfs/dbraw/zinc/89/61/28/830896128.db2.gz LJKGDMZEDTZVMU-GHMZBOCLSA-N 1 0 321.381 -0.110 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001134131024 830896568 /nfs/dbraw/zinc/89/65/68/830896568.db2.gz PMUBXNDIUSBHKS-QWHCGFSZSA-N 1 0 324.425 -0.523 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ncnn1C ZINC001134130679 830896587 /nfs/dbraw/zinc/89/65/87/830896587.db2.gz LGZCSDJYMOMNFH-NWDGAFQWSA-N 1 0 320.397 -0.673 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cncn1C ZINC001134130916 830896930 /nfs/dbraw/zinc/89/69/30/830896930.db2.gz OFEICPRTBVLAHY-QWHCGFSZSA-N 1 0 319.409 -0.068 20 30 DBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001134131384 830896999 /nfs/dbraw/zinc/89/69/99/830896999.db2.gz VMSLIJONZACIGA-QWHCGFSZSA-N 1 0 324.425 -0.477 20 30 DBEDRO COc1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)on1 ZINC001134135058 830899112 /nfs/dbraw/zinc/89/91/12/830899112.db2.gz RIXAZVVLYSUXMD-NXEZZACHSA-N 1 0 323.353 -0.191 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cncnc1 ZINC001134153272 830901787 /nfs/dbraw/zinc/90/17/87/830901787.db2.gz XDQXBFFEZUXFES-QWRGUYRKSA-N 1 0 304.354 -0.397 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001134152450 830901794 /nfs/dbraw/zinc/90/17/94/830901794.db2.gz OKVKJNPOPXDTLP-WDEREUQCSA-N 1 0 320.397 -0.762 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C(C)C)n[nH]1 ZINC001134161779 830902705 /nfs/dbraw/zinc/90/27/05/830902705.db2.gz XOAMCHYBDPPNFH-LLVKDONJSA-N 1 0 305.382 -0.010 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ncccc1O ZINC001134189127 830905894 /nfs/dbraw/zinc/90/58/94/830905894.db2.gz JMYVUZLXAQUCCC-QWRGUYRKSA-N 1 0 319.365 -0.087 20 30 DBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnn(C)c1N ZINC001134198321 830908114 /nfs/dbraw/zinc/90/81/14/830908114.db2.gz WDHUAELLCVBCMI-NXEZZACHSA-N 1 0 321.385 -0.871 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1ccnn1C ZINC001134224123 830911072 /nfs/dbraw/zinc/91/10/72/830911072.db2.gz PPCIBGCFMLTRGS-CHWSQXEVSA-N 1 0 319.409 -0.415 20 30 DBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c(c1)CCO2 ZINC001134220523 830911749 /nfs/dbraw/zinc/91/17/49/830911749.db2.gz RFIJUEZIKUFGMI-UHFFFAOYSA-N 1 0 302.334 -0.419 20 30 DBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1ncc[nH]1 ZINC001134235210 830912740 /nfs/dbraw/zinc/91/27/40/830912740.db2.gz NFQWXVGIEHHKDH-RYUDHWBXSA-N 1 0 320.397 -0.145 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001134240038 830912842 /nfs/dbraw/zinc/91/28/42/830912842.db2.gz WTFSCWKJSGQLAC-SNVBAGLBSA-N 1 0 303.366 -0.256 20 30 DBEDRO Cc1ccnc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)n1 ZINC001134243573 830913490 /nfs/dbraw/zinc/91/34/90/830913490.db2.gz CALNCQKBYXHXBT-VXGBXAGGSA-N 1 0 318.381 -0.089 20 30 DBEDRO Cc1nnc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)o1 ZINC001134269071 830915998 /nfs/dbraw/zinc/91/59/98/830915998.db2.gz CYFSBRSRNQVIQY-UWVGGRQHSA-N 1 0 322.369 -0.567 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001134299341 830920860 /nfs/dbraw/zinc/92/08/60/830920860.db2.gz QZBRMHIWCRPGON-QWRGUYRKSA-N 1 0 321.381 -0.457 20 30 DBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001134319243 830921927 /nfs/dbraw/zinc/92/19/27/830921927.db2.gz YJVJCXFDEYFTCP-WDEREUQCSA-N 1 0 308.382 -0.272 20 30 DBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccn(C)n1 ZINC001134338556 830923639 /nfs/dbraw/zinc/92/36/39/830923639.db2.gz XMUHEXHFCFTIRT-NWDGAFQWSA-N 1 0 320.397 -0.525 20 30 DBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001134351637 830924837 /nfs/dbraw/zinc/92/48/37/830924837.db2.gz IQUMLFKASUBXHS-KGLIPLIRSA-N 1 0 324.425 -0.076 20 30 DBEDRO C[C@H](NS(C)(=O)=O)C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134353633 830926319 /nfs/dbraw/zinc/92/63/19/830926319.db2.gz VMTFVIJVXKBHIK-ZDUSSCGKSA-N 1 0 323.418 -0.318 20 30 DBEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134399095 830934359 /nfs/dbraw/zinc/93/43/59/830934359.db2.gz KCLULXXDLNTZJG-MNOVXSKESA-N 1 0 308.386 -0.174 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(CC)nc1C ZINC001134507826 830942510 /nfs/dbraw/zinc/94/25/10/830942510.db2.gz IQJWXLARAJSWNU-GFCCVEGCSA-N 1 0 305.382 -0.331 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134505430 830942567 /nfs/dbraw/zinc/94/25/67/830942567.db2.gz QCTYVOUYUXBLQA-NWDGAFQWSA-N 1 0 303.428 -0.178 20 30 DBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134505431 830943030 /nfs/dbraw/zinc/94/30/30/830943030.db2.gz QCTYVOUYUXBLQA-RYUDHWBXSA-N 1 0 303.428 -0.178 20 30 DBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001134539801 830947979 /nfs/dbraw/zinc/94/79/79/830947979.db2.gz FJKLBIXHDNECAK-NWDGAFQWSA-N 1 0 306.366 -0.947 20 30 DBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001134557831 830951307 /nfs/dbraw/zinc/95/13/07/830951307.db2.gz RHWSTWUOKMPOHO-OLZOCXBDSA-N 1 0 315.439 -0.082 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(N(C)C)c1 ZINC001134596314 830953081 /nfs/dbraw/zinc/95/30/81/830953081.db2.gz DMNVHTKXHYLKAG-UHFFFAOYSA-N 1 0 305.382 -0.231 20 30 DBEDRO C=CCOCC[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134608800 830955647 /nfs/dbraw/zinc/95/56/47/830955647.db2.gz CALMHNCYQJOXKE-UHFFFAOYSA-N 1 0 321.443 -0.434 20 30 DBEDRO COCC#CC[NH2+]CCNC(=O)C1(N2CCOCC2)CCCC1 ZINC001134613812 830956742 /nfs/dbraw/zinc/95/67/42/830956742.db2.gz QWIDQBIKQUSVHR-UHFFFAOYSA-N 1 0 323.437 -0.013 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1csc2cncn21 ZINC001134630540 830958673 /nfs/dbraw/zinc/95/86/73/830958673.db2.gz FQAFECNOLPZTJH-SNVBAGLBSA-N 1 0 319.390 -0.147 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655963 830962728 /nfs/dbraw/zinc/96/27/28/830962728.db2.gz QSIGSJHSSBWTFC-OLZOCXBDSA-N 1 0 313.398 -0.564 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001134721666 830970948 /nfs/dbraw/zinc/97/09/48/830970948.db2.gz 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321.381 -0.198 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC)n2)[C@H]1C ZINC001178620951 833517281 /nfs/dbraw/zinc/51/72/81/833517281.db2.gz BFTMIYRNPZZGGY-RYUDHWBXSA-N 1 0 320.397 -0.207 20 30 DBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC001178671946 833519454 /nfs/dbraw/zinc/51/94/54/833519454.db2.gz SDSFNCPWGKFLPJ-GVXVVHGQSA-N 1 0 320.393 -0.177 20 30 DBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178678283 833519911 /nfs/dbraw/zinc/51/99/11/833519911.db2.gz FMEQQHOJCZLDEW-TUAOUCFPSA-N 1 0 324.381 -0.941 20 30 DBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001178681905 833520237 /nfs/dbraw/zinc/52/02/37/833520237.db2.gz SMBCLVAEEYHEOY-RWMBFGLXSA-N 1 0 321.377 -0.590 20 30 DBEDRO C#CCC[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178718999 833521402 /nfs/dbraw/zinc/52/14/02/833521402.db2.gz DAVUAYHHEDENAB-LBPRGKRZSA-N 1 0 308.382 -0.126 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)CC)[C@H]1C ZINC001178758065 833522642 /nfs/dbraw/zinc/52/26/42/833522642.db2.gz IEKLNYLTVDJVCY-AVGNSLFASA-N 1 0 322.409 -0.771 20 30 DBEDRO C#CC[NH2+]CCCCCCNC(=O)CS(=O)(=O)CCOC ZINC001178841034 833526592 /nfs/dbraw/zinc/52/65/92/833526592.db2.gz NRMDIKPNFZSHLV-UHFFFAOYSA-N 1 0 318.439 -0.053 20 30 DBEDRO C=CCNC(=O)C[NH2+]CCCCCCNC(=O)c1cn[nH]n1 ZINC001178923770 833529080 /nfs/dbraw/zinc/52/90/80/833529080.db2.gz JYZHRPWOJZLHLC-UHFFFAOYSA-N 1 0 308.386 -0.013 20 30 DBEDRO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178948735 833530346 /nfs/dbraw/zinc/53/03/46/833530346.db2.gz OZAWXGDEKSVCQK-UWVGGRQHSA-N 1 0 320.353 -0.744 20 30 DBEDRO Cn1cncc1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178956064 833531142 /nfs/dbraw/zinc/53/11/42/833531142.db2.gz VWDYIJGSCQHFQJ-UHFFFAOYSA-N 1 0 320.397 -0.060 20 30 DBEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001179019053 833533401 /nfs/dbraw/zinc/53/34/01/833533401.db2.gz PIKKYRLJILOZIM-JSGCOSHPSA-N 1 0 324.425 -0.216 20 30 DBEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295864 833542134 /nfs/dbraw/zinc/54/21/34/833542134.db2.gz UXAANQUAMOOYHT-KBPBESRZSA-N 1 0 308.426 -0.037 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]c(C)nc2C)[C@H]1C ZINC001179550025 833550849 /nfs/dbraw/zinc/55/08/49/833550849.db2.gz PXVBNZMGLYODMY-AAEUAGOBSA-N 1 0 317.393 -0.031 20 30 DBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179613566 833552778 /nfs/dbraw/zinc/55/27/78/833552778.db2.gz XNZQVRZDQDHCJC-WOPDTQHZSA-N 1 0 301.412 -0.474 20 30 DBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC001179648885 833554279 /nfs/dbraw/zinc/55/42/79/833554279.db2.gz RPEORBWRAUOCTA-QWRGUYRKSA-N 1 0 320.349 -0.991 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]2C)nn1 ZINC001179674182 833554547 /nfs/dbraw/zinc/55/45/47/833554547.db2.gz MQTNUBMPEYWVPM-RYUDHWBXSA-N 1 0 320.397 -0.255 20 30 DBEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H]2C)nn1 ZINC001179673906 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20 30 DBEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)nn1 ZINC001182839727 833692732 /nfs/dbraw/zinc/69/27/32/833692732.db2.gz QEDBJCGICSNIPW-IAQYHMDHSA-N 1 0 320.397 -0.363 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C ZINC001182917692 833695506 /nfs/dbraw/zinc/69/55/06/833695506.db2.gz YVSNZVMMSNFNEK-IAQYHMDHSA-N 1 0 308.382 -0.202 20 30 DBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182992517 833699342 /nfs/dbraw/zinc/69/93/42/833699342.db2.gz SQEVTYRZRCVKNW-GFCCVEGCSA-N 1 0 319.427 -0.681 20 30 DBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001183033107 833703613 /nfs/dbraw/zinc/70/36/13/833703613.db2.gz PPQCPNCEADEHQH-QWHCGFSZSA-N 1 0 323.393 -0.083 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1 ZINC001183064547 833705003 /nfs/dbraw/zinc/70/50/03/833705003.db2.gz STCICEAEQLOWPO-LLVKDONJSA-N 1 0 316.365 -0.727 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001183068523 833705640 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C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288777 833712333 /nfs/dbraw/zinc/71/23/33/833712333.db2.gz ODXAPPYTPIOZQY-UONOGXRCSA-N 1 0 320.437 -0.201 20 30 DBEDRO COCC#CC[NH2+]C[C@]1(C)CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001183349059 833713701 /nfs/dbraw/zinc/71/37/01/833713701.db2.gz VGINZILVNSANMH-CZUORRHYSA-N 1 0 324.425 -0.231 20 30 DBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001183354260 833714255 /nfs/dbraw/zinc/71/42/55/833714255.db2.gz YEGCBSDEMUPEEE-CABCVRRESA-N 1 0 320.437 -0.247 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001183403797 833715958 /nfs/dbraw/zinc/71/59/58/833715958.db2.gz WXCQCRBVFYZREO-JHJVBQTASA-N 1 0 315.377 -0.547 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001183475332 833717625 /nfs/dbraw/zinc/71/76/25/833717625.db2.gz KBMGGTJQFJKPOU-WDEREUQCSA-N 1 0 319.365 -0.634 20 30 DBEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C ZINC001183517263 833718903 /nfs/dbraw/zinc/71/89/03/833718903.db2.gz XURJZPNIVHJUFH-IAQYHMDHSA-N 1 0 320.397 -0.363 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001183593557 833724157 /nfs/dbraw/zinc/72/41/57/833724157.db2.gz ZDEHUNPYUOJHCK-WBMJQRKESA-N 1 0 322.409 -0.605 20 30 DBEDRO C[C@@H]1CN(C(=O)C(F)F)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001183662450 833727311 /nfs/dbraw/zinc/72/73/11/833727311.db2.gz KOJNWPOGCLTSNG-NXEZZACHSA-N 1 0 302.325 -0.035 20 30 DBEDRO COCCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001183678210 833729520 /nfs/dbraw/zinc/72/95/20/833729520.db2.gz LZUIHSJSRSGTMA-QWHCGFSZSA-N 1 0 310.398 -0.263 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C1 ZINC001183700374 833730903 /nfs/dbraw/zinc/73/09/03/833730903.db2.gz FYYLNDQSDZEUAL-CYBMUJFWSA-N 1 0 319.340 -0.407 20 30 DBEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CNC(=O)CNC(C)=O)C1 ZINC001183722360 833733220 /nfs/dbraw/zinc/73/32/20/833733220.db2.gz RDZIBTTVOOBXEY-TZMCWYRMSA-N 1 0 324.425 -0.216 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001183877830 833739908 /nfs/dbraw/zinc/73/99/08/833739908.db2.gz XRLLUVPXVKBMPM-LLVKDONJSA-N 1 0 303.366 -0.474 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2coc(OCC)n2)C1 ZINC001183964841 833744091 /nfs/dbraw/zinc/74/40/91/833744091.db2.gz JPUIXYUTHMBSFH-LLVKDONJSA-N 1 0 320.349 -0.373 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2snnc2CC)C1 ZINC001184032384 833745357 /nfs/dbraw/zinc/74/53/57/833745357.db2.gz GADSHSXPVFUPED-SNVBAGLBSA-N 1 0 321.406 -0.346 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 ZINC001184118108 833750181 /nfs/dbraw/zinc/75/01/81/833750181.db2.gz ZUDXAZSSEZSUOR-LLVKDONJSA-N 1 0 321.381 -0.465 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC001184138485 833750721 /nfs/dbraw/zinc/75/07/21/833750721.db2.gz IJNKNLYTRJLYQK-GFCCVEGCSA-N 1 0 318.377 -0.508 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001184181996 833752220 /nfs/dbraw/zinc/75/22/20/833752220.db2.gz ZIIXGYJRHFXCGG-IOASZLSFSA-N 1 0 320.393 -0.224 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001184219931 833753088 /nfs/dbraw/zinc/75/30/88/833753088.db2.gz DCJVHJUZELSZGD-CYBMUJFWSA-N 1 0 314.349 -0.422 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC001184247598 833753729 /nfs/dbraw/zinc/75/37/29/833753729.db2.gz ATVPTSSFAGILHH-GXTWGEPZSA-N 1 0 318.377 -0.064 20 30 DBEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C[NH2+]CCCO)[C@@H](C)C1 ZINC001184241569 833753733 /nfs/dbraw/zinc/75/37/33/833753733.db2.gz MXKCVMRWRFRTEU-UONOGXRCSA-N 1 0 309.410 -0.418 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1C ZINC001184275031 833755682 /nfs/dbraw/zinc/75/56/82/833755682.db2.gz VZFIWKNJCMCGFK-ZIAGYGMSSA-N 1 0 323.437 -0.029 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCCS2(=O)=O)C1 ZINC001184309273 833756464 /nfs/dbraw/zinc/75/64/64/833756464.db2.gz CLKZLCAVWNXMJZ-CYBMUJFWSA-N 1 0 313.423 -0.374 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001184310107 833756666 /nfs/dbraw/zinc/75/66/66/833756666.db2.gz ACWFUFPNCYNHOW-QWHCGFSZSA-N 1 0 317.393 -0.153 20 30 DBEDRO CC(C)C#CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001184358016 833757916 /nfs/dbraw/zinc/75/79/16/833757916.db2.gz SFWTXPNNCRMCIX-CHWSQXEVSA-N 1 0 322.409 -0.085 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499232 833761675 /nfs/dbraw/zinc/76/16/75/833761675.db2.gz AQOQWVYVCYIRGA-IAQYHMDHSA-N 1 0 308.382 -0.995 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499230 833761706 /nfs/dbraw/zinc/76/17/06/833761706.db2.gz AQOQWVYVCYIRGA-ABAIWWIYSA-N 1 0 308.382 -0.995 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C ZINC001184535419 833762223 /nfs/dbraw/zinc/76/22/23/833762223.db2.gz TYWDKSJGJXJODV-KBPBESRZSA-N 1 0 309.410 -0.201 20 30 DBEDRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001184654925 833766110 /nfs/dbraw/zinc/76/61/10/833766110.db2.gz PZHJSXZYVXYDTR-OCCSQVGLSA-N 1 0 308.382 -0.368 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001184684691 833766502 /nfs/dbraw/zinc/76/65/02/833766502.db2.gz SHCHYAOBICPCNZ-UONOGXRCSA-N 1 0 319.409 -0.321 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001184684320 833766906 /nfs/dbraw/zinc/76/69/06/833766906.db2.gz ONNZXLJKLIVUDP-CHWSQXEVSA-N 1 0 307.398 -0.158 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001184709659 833767464 /nfs/dbraw/zinc/76/74/64/833767464.db2.gz CDYLMWFMHPGPGY-CYBMUJFWSA-N 1 0 303.366 -0.787 20 30 DBEDRO Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184701659 833767508 /nfs/dbraw/zinc/76/75/08/833767508.db2.gz XEWCOUOWGRIKJV-GFCCVEGCSA-N 1 0 318.381 -0.519 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC001184747351 833768639 /nfs/dbraw/zinc/76/86/39/833768639.db2.gz YBDBHKHQRAVEBA-VXGBXAGGSA-N 1 0 303.366 -0.340 20 30 DBEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184815033 833770861 /nfs/dbraw/zinc/77/08/61/833770861.db2.gz IVCMSFMKNAHQOC-ZIAGYGMSSA-N 1 0 308.426 -0.037 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001184806954 833770907 /nfs/dbraw/zinc/77/09/07/833770907.db2.gz MOOBSKLAABIUGG-LLVKDONJSA-N 1 0 321.381 -0.465 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001184956811 833775954 /nfs/dbraw/zinc/77/59/54/833775954.db2.gz TUWLQFSATZCCQR-QWHCGFSZSA-N 1 0 320.397 -0.452 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185013136 833777845 /nfs/dbraw/zinc/77/78/45/833777845.db2.gz JDKADDCQAJJSNJ-MEBFFEOJSA-N 1 0 305.378 -0.793 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001185099547 833780161 /nfs/dbraw/zinc/78/01/61/833780161.db2.gz KSKIJJQMTDPRAW-WCQYABFASA-N 1 0 304.350 -0.455 20 30 DBEDRO Cc1ncc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1C ZINC001185167393 833782031 /nfs/dbraw/zinc/78/20/31/833782031.db2.gz RSPKZOJZHFXCIW-LLVKDONJSA-N 1 0 304.354 -0.828 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001185167348 833782466 /nfs/dbraw/zinc/78/24/66/833782466.db2.gz PNNBWOFYQCPMJI-DGCLKSJQSA-N 1 0 317.393 -0.329 20 30 DBEDRO O=C([C@H]1CNC(=O)N1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001185257230 833786125 /nfs/dbraw/zinc/78/61/25/833786125.db2.gz OVGREERSQSVXBD-HUUCEWRRSA-N 1 0 312.373 -0.090 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384945 833793782 /nfs/dbraw/zinc/79/37/82/833793782.db2.gz HKYTYYTXFGFPDP-CQSZACIVSA-N 1 0 306.410 -0.732 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2conc2CC)C1 ZINC001185494148 833796448 /nfs/dbraw/zinc/79/64/48/833796448.db2.gz XAGBVSPPMNXYCM-LLVKDONJSA-N 1 0 304.350 -0.210 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1C ZINC001185604677 833800475 /nfs/dbraw/zinc/80/04/75/833800475.db2.gz NZTJBUSFSSHDIG-QWHCGFSZSA-N 1 0 315.439 -0.415 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ocnc2C2CC2)C1 ZINC001185643514 833802899 /nfs/dbraw/zinc/80/28/99/833802899.db2.gz WUHQPOMNMGQNDE-LLVKDONJSA-N 1 0 317.349 -0.004 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C ZINC001185641842 833803317 /nfs/dbraw/zinc/80/33/17/833803317.db2.gz ROBAIPRVFPPYDP-VXGBXAGGSA-N 1 0 306.366 -0.754 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001185750315 833809247 /nfs/dbraw/zinc/80/92/47/833809247.db2.gz VYJDFXSSKHLJEW-WCQYABFASA-N 1 0 320.397 -0.382 20 30 DBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001185775787 833810424 /nfs/dbraw/zinc/81/04/24/833810424.db2.gz KFQQFLQODPKLGZ-CHWSQXEVSA-N 1 0 302.382 -0.161 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC001185985527 833820061 /nfs/dbraw/zinc/82/00/61/833820061.db2.gz KXZVSQPUNAJKNU-ZIAGYGMSSA-N 1 0 317.393 -0.480 20 30 DBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186040823 833824144 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CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC001268335641 835670624 /nfs/dbraw/zinc/67/06/24/835670624.db2.gz WOKYJSBTBZUCGJ-KGLIPLIRSA-N 1 0 309.410 -0.133 20 30 DBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1c(=O)oc2ccccc21 ZINC001268334088 835671019 /nfs/dbraw/zinc/67/10/19/835671019.db2.gz BMOBAOJEYPEVCT-LLVKDONJSA-N 1 0 303.318 -0.706 20 30 DBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1n[nH]c(C)c1C ZINC001268349425 835674200 /nfs/dbraw/zinc/67/42/00/835674200.db2.gz KBNROCYTRZKSPC-SNVBAGLBSA-N 1 0 305.382 -0.126 20 30 DBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCN(C)S(C)(=O)=O ZINC001268350704 835674287 /nfs/dbraw/zinc/67/42/87/835674287.db2.gz QAWIYSLSSDUEHF-QWRGUYRKSA-N 1 0 304.416 -0.478 20 30 DBEDRO CCCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C#N ZINC001268350246 835674361 /nfs/dbraw/zinc/67/43/61/835674361.db2.gz OKEHQHQBEBKPGB-MNOVXSKESA-N 1 0 311.386 -0.134 20 30 DBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268353289 835674997 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CTPCVFBBNKCDHJ-OLZOCXBDSA-N 1 0 305.382 -0.236 20 30 DBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCS(=O)(=O)N(C)C)C1 ZINC001486133268 1013693823 /nfs/dbraw/zinc/69/38/23/1013693823.db2.gz ACCANPZGXANMRK-RYUDHWBXSA-N 1 0 301.412 -0.520 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001486134007 1013695575 /nfs/dbraw/zinc/69/55/75/1013695575.db2.gz AMEYYBRVJWQRDS-NWDGAFQWSA-N 1 0 310.398 -0.477 20 30 DBEDRO CCC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001486198501 1013711764 /nfs/dbraw/zinc/71/17/64/1013711764.db2.gz ZJJQKEJAKICAMJ-NWDGAFQWSA-N 1 0 323.397 -0.973 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001486197155 1013710156 /nfs/dbraw/zinc/71/01/56/1013710156.db2.gz VJSDPDOPHJOYSB-UONOGXRCSA-N 1 0 324.425 -0.359 20 30 DBEDRO Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)[nH]n1 ZINC001486196184 1013710622 /nfs/dbraw/zinc/71/06/22/1013710622.db2.gz OZOVMTVHABIUNU-RYUDHWBXSA-N 1 0 318.381 -0.154 20 30 DBEDRO Cn1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)n1 ZINC001486219130 1013717444 /nfs/dbraw/zinc/71/74/44/1013717444.db2.gz BZNMWMQRAIFSEN-NEPJUHHUSA-N 1 0 318.381 -0.452 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001486211404 1013714748 /nfs/dbraw/zinc/71/47/48/1013714748.db2.gz CCNHNXRQUXIHLL-NEPJUHHUSA-N 1 0 318.443 -0.557 20 30 DBEDRO CC1(C)CN(C(=O)C2CCOCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001486223310 1013719332 /nfs/dbraw/zinc/71/93/32/1013719332.db2.gz BFCQLWCSDAXQHX-CYBMUJFWSA-N 1 0 322.409 -0.121 20 30 DBEDRO C#CC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)CCOC)CC1(C)C ZINC001486236331 1013722240 /nfs/dbraw/zinc/72/22/40/1013722240.db2.gz QGQYPWYHVHJIJC-LBPRGKRZSA-N 1 0 316.423 -0.493 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cncn2C)CC1(C)C ZINC001486237233 1013724432 /nfs/dbraw/zinc/72/44/32/1013724432.db2.gz FKFKIBBWIYQLJU-ZDUSSCGKSA-N 1 0 317.393 -0.390 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2F)CC1(C)C ZINC001486244131 1013726641 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DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001486271226 1013761599 /nfs/dbraw/zinc/76/15/99/1013761599.db2.gz MYPWDWIQDZMTSL-RYUDHWBXSA-N 1 0 323.397 -0.867 20 30 DBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001486283186 1013781778 /nfs/dbraw/zinc/78/17/78/1013781778.db2.gz RQWGSLVSWNUWOE-LLVKDONJSA-N 1 0 310.354 -0.904 20 30 DBEDRO C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001486281882 1013782051 /nfs/dbraw/zinc/78/20/51/1013782051.db2.gz ULRAAHFOWFJEOK-GFCCVEGCSA-N 1 0 304.412 -0.594 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001486282938 1013782110 /nfs/dbraw/zinc/78/21/10/1013782110.db2.gz MTNJKWJRLLCXBY-JTQLQIEISA-N 1 0 300.746 -0.043 20 30 DBEDRO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001486282864 1013782406 /nfs/dbraw/zinc/78/24/06/1013782406.db2.gz LGGAWDLVOWYZJH-ILXRZTDVSA-N 1 0 312.410 -0.140 20 30 DBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn2ccncc12 ZINC001486281016 1013779777 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1014922689 /nfs/dbraw/zinc/92/26/89/1014922689.db2.gz LBCSGUVSGMMHCU-UONOGXRCSA-N 1 0 319.409 -0.036 20 30 DBEDRO C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CNC(=O)CNC(C)=O ZINC001490299758 1014922790 /nfs/dbraw/zinc/92/27/90/1014922790.db2.gz GTBHRFXLVROPAK-GXTWGEPZSA-N 1 0 324.425 -0.216 20 30 DBEDRO Cc1nn(CC(=O)NC2CC[NH+](C)CC2)c(=O)c(C#N)c1C ZINC001365253033 983313018 /nfs/dbraw/zinc/31/30/18/983313018.db2.gz PCOJTKJNPIXHSL-UHFFFAOYSA-N 1 0 303.366 -0.058 20 30 DBEDRO COC[C@]1(CO)CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC001365299947 983328055 /nfs/dbraw/zinc/32/80/55/983328055.db2.gz ZXWYHDBONUKUKG-OAHLLOKOSA-N 1 0 308.382 -0.027 20 30 DBEDRO CC[C@@H](CC#N)NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001365306135 983331484 /nfs/dbraw/zinc/33/14/84/983331484.db2.gz SFZOUXIWDIARKK-NSHDSACASA-N 1 0 316.427 -0.192 20 30 DBEDRO CC#CC[N@@H+](CCCNC(=O)CS(=O)(=O)NC)C1CC1 ZINC001490393519 1014948909 /nfs/dbraw/zinc/94/89/09/1014948909.db2.gz RWLFYMNPZCVGBV-UHFFFAOYSA-N 1 0 301.412 -0.470 20 30 DBEDRO 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DBEDRO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1cc(C#N)ccc1F ZINC001376720460 990286645 /nfs/dbraw/zinc/28/66/45/990286645.db2.gz DAACLZLGYACHCF-JTQLQIEISA-N 1 0 317.328 -0.022 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001376852710 990352217 /nfs/dbraw/zinc/35/22/17/990352217.db2.gz HZYBJRKQNKMHTG-WDEREUQCSA-N 1 0 301.774 -0.166 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CS(=O)(=O)CC)CCO1 ZINC001376861037 990357527 /nfs/dbraw/zinc/35/75/27/990357527.db2.gz JZLXKEBOZQNIEF-NSHDSACASA-N 1 0 324.830 -0.009 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001491667748 1015557956 /nfs/dbraw/zinc/55/79/56/1015557956.db2.gz QUJUYUOHNMTAMD-GFCCVEGCSA-N 1 0 322.409 -0.911 20 30 DBEDRO C[C@H](C#N)C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC1CCOCC1 ZINC001377010805 990415377 /nfs/dbraw/zinc/41/53/77/990415377.db2.gz IHJFMRSRIVEVMN-VXGBXAGGSA-N 1 0 310.398 -0.074 20 30 DBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CCOCC2)C1 ZINC001377749380 990719216 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C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1nc2ncccn2n1 ZINC001379286880 991516314 /nfs/dbraw/zinc/51/63/14/991516314.db2.gz LBNLHBDYWBBFSI-JTQLQIEISA-N 1 0 324.772 -0.514 20 30 DBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CS(=O)(=O)CCOC)C1 ZINC001491813205 1015637655 /nfs/dbraw/zinc/63/76/55/1015637655.db2.gz ARQZGULEKYAESS-LBPRGKRZSA-N 1 0 304.412 -0.328 20 30 DBEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCc1cccs1 ZINC001379367933 991592385 /nfs/dbraw/zinc/59/23/85/991592385.db2.gz HPEXDOPLYIUVNG-QWRGUYRKSA-N 1 0 324.406 -0.409 20 30 DBEDRO CC(C)(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001379390358 991616388 /nfs/dbraw/zinc/61/63/88/991616388.db2.gz ABCGOTVFGUWMLP-NSHDSACASA-N 1 0 321.381 -0.519 20 30 DBEDRO CC(C)(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001379390356 991616727 /nfs/dbraw/zinc/61/67/27/991616727.db2.gz ABCGOTVFGUWMLP-LLVKDONJSA-N 1 0 321.381 -0.519 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001491843748 1015649064 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GDPQJANJLMNICF-RYUDHWBXSA-N 1 0 320.397 -0.395 20 30 DBEDRO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001496913497 1017093136 /nfs/dbraw/zinc/09/31/36/1017093136.db2.gz FVJXVCNVEJGAGA-CHWSQXEVSA-N 1 0 315.439 -0.224 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](C)CC(N)=O)C2)C1=O ZINC001480153608 1010558675 /nfs/dbraw/zinc/55/86/75/1010558675.db2.gz NVOCLPDQSZMYKF-FDYHWXHSSA-N 1 0 322.409 -0.478 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001496912940 1017093207 /nfs/dbraw/zinc/09/32/07/1017093207.db2.gz PNIPRANMGIQMQM-CHWSQXEVSA-N 1 0 318.377 -0.566 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001480161739 1010562582 /nfs/dbraw/zinc/56/25/82/1010562582.db2.gz VIPQCCQEASNHAB-JHJVBQTASA-N 1 0 317.393 -0.426 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001480171457 1010563909 /nfs/dbraw/zinc/56/39/09/1010563909.db2.gz SYZGAWVNQZLHPE-IJLUTSLNSA-N 1 0 303.366 -0.592 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001480171458 1010565052 /nfs/dbraw/zinc/56/50/52/1010565052.db2.gz SYZGAWVNQZLHPE-SRVKXCTJSA-N 1 0 303.366 -0.592 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480196266 1010570583 /nfs/dbraw/zinc/57/05/83/1010570583.db2.gz IDNCULMUOOGTBF-FQUUOJAGSA-N 1 0 306.410 -0.545 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001480202006 1010572208 /nfs/dbraw/zinc/57/22/08/1010572208.db2.gz HOEZOBSPQJOUDU-RWSFTLGLSA-N 1 0 324.381 -0.898 20 30 DBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C#CC2CC2)C1 ZINC001480203274 1010573295 /nfs/dbraw/zinc/57/32/95/1010573295.db2.gz IMNQASWMCZEKPA-ZMLRMANQSA-N 1 0 306.366 -0.519 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001480204255 1010573550 /nfs/dbraw/zinc/57/35/50/1010573550.db2.gz DKYAQFBYRLYMST-PHIMTYICSA-N 1 0 317.349 -0.915 20 30 DBEDRO Cc1nn(C)cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480207766 1010575321 /nfs/dbraw/zinc/57/53/21/1010575321.db2.gz GEENQQKIARHROX-BETUJISGSA-N 1 0 318.381 -0.852 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001480224580 1010580733 /nfs/dbraw/zinc/58/07/33/1010580733.db2.gz HNOLHMMWYQDUOV-UTUOFQBUSA-N 1 0 305.382 -0.120 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001480222758 1010581290 /nfs/dbraw/zinc/58/12/90/1010581290.db2.gz WQFVTMQKRNVDNR-RWSFTLGLSA-N 1 0 308.382 -0.806 20 30 DBEDRO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1 ZINC001480222801 1010581298 /nfs/dbraw/zinc/58/12/98/1010581298.db2.gz OIOGPSUWUDOKRL-TXEJJXNPSA-N 1 0 315.333 -0.892 20 30 DBEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001480228568 1010583565 /nfs/dbraw/zinc/58/35/65/1010583565.db2.gz HXWQXABYVPJBJS-PHIMTYICSA-N 1 0 304.350 -0.001 20 30 DBEDRO CNC(=O)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CCC1 ZINC001480233722 1010584292 /nfs/dbraw/zinc/58/42/92/1010584292.db2.gz NZUVVDLMJQZPEE-BETUJISGSA-N 1 0 307.394 -0.211 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001480241400 1010586124 /nfs/dbraw/zinc/58/61/24/1010586124.db2.gz XQFFIUGIWBFGEK-SDDRHHMPSA-N 1 0 303.366 -0.294 20 30 DBEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001480248071 1010590253 /nfs/dbraw/zinc/59/02/53/1010590253.db2.gz IBYXTCAMGKPAFI-STQMWFEESA-N 1 0 322.409 -0.523 20 30 DBEDRO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001480253675 1010591725 /nfs/dbraw/zinc/59/17/25/1010591725.db2.gz YTNNFAYXCSZQHS-UONOGXRCSA-N 1 0 309.410 -0.011 20 30 DBEDRO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001480260442 1010592829 /nfs/dbraw/zinc/59/28/29/1010592829.db2.gz XTBJJRHJOXRDLJ-AWEZNQCLSA-N 1 0 308.426 -0.178 20 30 DBEDRO C=CCOCC[N@H+]1CCC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001480255046 1010592891 /nfs/dbraw/zinc/59/28/91/1010592891.db2.gz OCGAITKAAFBXPT-CYBMUJFWSA-N 1 0 312.414 -0.054 20 30 DBEDRO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001480255375 1010592998 /nfs/dbraw/zinc/59/29/98/1010592998.db2.gz VJUZEGMKWSUYRI-RYUDHWBXSA-N 1 0 308.382 -0.011 20 30 DBEDRO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001480258009 1010594289 /nfs/dbraw/zinc/59/42/89/1010594289.db2.gz PDLRLCFGXQGRFR-ZDUSSCGKSA-N 1 0 307.398 -0.014 20 30 DBEDRO CC[C@@H](C(=O)NC[C@H]1CCCN(CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263249 1010595977 /nfs/dbraw/zinc/59/59/77/1010595977.db2.gz MEKHZSKWYOMOIW-KGLIPLIRSA-N 1 0 323.441 -0.205 20 30 DBEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(N)=O)C1 ZINC001480262532 1010596527 /nfs/dbraw/zinc/59/65/27/1010596527.db2.gz UJDMLDYIFGHULV-GFCCVEGCSA-N 1 0 323.397 -0.938 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001480272995 1010600133 /nfs/dbraw/zinc/60/01/33/1010600133.db2.gz DVJQZYQTSCYZGE-NSHDSACASA-N 1 0 304.354 -0.509 20 30 DBEDRO COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001480273364 1010600970 /nfs/dbraw/zinc/60/09/70/1010600970.db2.gz DMBGRQXQMQKLRU-CYBMUJFWSA-N 1 0 306.370 -0.849 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001480277978 1010602499 /nfs/dbraw/zinc/60/24/99/1010602499.db2.gz RCZOVDLAPJWXNP-ZDUSSCGKSA-N 1 0 317.393 -0.389 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001480278904 1010602517 /nfs/dbraw/zinc/60/25/17/1010602517.db2.gz XRQBTXFZSZJFMJ-QWHCGFSZSA-N 1 0 317.393 -0.011 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001480288978 1010603904 /nfs/dbraw/zinc/60/39/04/1010603904.db2.gz AMYLVQAHPUHJST-JSGCOSHPSA-N 1 0 315.377 -0.173 20 30 DBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001480295123 1010605487 /nfs/dbraw/zinc/60/54/87/1010605487.db2.gz VXXIHFZYGMHMPF-CYBMUJFWSA-N 1 0 324.425 -0.276 20 30 DBEDRO C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001480307043 1010606390 /nfs/dbraw/zinc/60/63/90/1010606390.db2.gz PCACEECKOAFGAA-GFCCVEGCSA-N 1 0 320.397 -0.219 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001480301734 1010606687 /nfs/dbraw/zinc/60/66/87/1010606687.db2.gz YKXLFPZJELSGLN-LBPRGKRZSA-N 1 0 306.366 -0.658 20 30 DBEDRO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001480304045 1010606877 /nfs/dbraw/zinc/60/68/77/1010606877.db2.gz IGSSTWDLBFOMBD-GFCCVEGCSA-N 1 0 303.428 -0.060 20 30 DBEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001480328359 1010611484 /nfs/dbraw/zinc/61/14/84/1010611484.db2.gz RPKDFIVIUWMVHV-GFCCVEGCSA-N 1 0 318.443 -0.461 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CNC(C)=O ZINC001480336985 1010612457 /nfs/dbraw/zinc/61/24/57/1010612457.db2.gz IHQPIYKSSBYSJB-JSGCOSHPSA-N 1 0 324.425 -0.216 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001480338279 1010612614 /nfs/dbraw/zinc/61/26/14/1010612614.db2.gz GSATYVHIXZSVEP-UONOGXRCSA-N 1 0 307.394 -0.115 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccon1 ZINC001480340140 1010615212 /nfs/dbraw/zinc/61/52/12/1010615212.db2.gz OWZRFIAMDJOKIW-LLVKDONJSA-N 1 0 305.338 -0.101 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCCC(N)=O ZINC001480369778 1010619542 /nfs/dbraw/zinc/61/95/42/1010619542.db2.gz NUSNDEPXSHAANP-GFCCVEGCSA-N 1 0 323.397 -0.748 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC(N)=O ZINC001480370740 1010621301 /nfs/dbraw/zinc/62/13/01/1010621301.db2.gz WSBXKYQTNDCESE-ZDUSSCGKSA-N 1 0 322.409 -0.638 20 30 DBEDRO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001480380759 1010621581 /nfs/dbraw/zinc/62/15/81/1010621581.db2.gz XLYLJEGNGVBQGX-KBPBESRZSA-N 1 0 307.394 -0.305 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)C=C ZINC001480391256 1010623492 /nfs/dbraw/zinc/62/34/92/1010623492.db2.gz JYZNFLNOBHCVGT-UWRURVRSSA-N 1 0 319.405 -0.502 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)c2cnsn2)CC1 ZINC001480398392 1010627164 /nfs/dbraw/zinc/62/71/64/1010627164.db2.gz QLSFHRHVLFUPBQ-UHFFFAOYSA-N 1 0 321.406 -0.082 20 30 DBEDRO CC(C)[C@@H](O)C(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001480403408 1010628640 /nfs/dbraw/zinc/62/86/40/1010628640.db2.gz JQSRPDXYYOSGGM-ORHYLEIMSA-N 1 0 310.398 -0.340 20 30 DBEDRO Cc1cc(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)cnn1 ZINC001497178046 1017302658 /nfs/dbraw/zinc/30/26/58/1017302658.db2.gz IISVUOJYVUGVGO-SNVBAGLBSA-N 1 0 304.354 -0.477 20 30 DBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001480442229 1010640307 /nfs/dbraw/zinc/64/03/07/1010640307.db2.gz ICLKPZVVQJQNMY-BDAKNGLRSA-N 1 0 320.353 -0.562 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cc(C)ncn1 ZINC001480446630 1010641577 /nfs/dbraw/zinc/64/15/77/1010641577.db2.gz ILOYVUNVGZOKBE-NEPJUHHUSA-N 1 0 303.366 -0.369 20 30 DBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001497188175 1017304495 /nfs/dbraw/zinc/30/44/95/1017304495.db2.gz HALSMUQPUCPVLH-RYUDHWBXSA-N 1 0 303.366 -0.120 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DBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCc2nnc[nH]2)C1=O ZINC001483218125 1011801253 /nfs/dbraw/zinc/80/12/53/1011801253.db2.gz OYQLZEOYJPYSNW-NWDGAFQWSA-N 1 0 320.397 -0.382 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cn2c(n1)CCC2 ZINC001483228147 1011804841 /nfs/dbraw/zinc/80/48/41/1011804841.db2.gz AOVHTGJPXSNAHZ-NSHDSACASA-N 1 0 303.366 -0.713 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(CC)CCNC1=O ZINC001483236745 1011808081 /nfs/dbraw/zinc/80/80/81/1011808081.db2.gz RXESMWOYYAVVLD-NHYWBVRUSA-N 1 0 310.398 -0.701 20 30 DBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001483247007 1011814153 /nfs/dbraw/zinc/81/41/53/1011814153.db2.gz QTLBLRGYHVJJPU-LBPRGKRZSA-N 1 0 309.366 -0.730 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001483267863 1011819707 /nfs/dbraw/zinc/81/97/07/1011819707.db2.gz BODUOGAYVMPREN-JTQLQIEISA-N 1 0 303.366 -0.256 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1nonc1C ZINC001483279426 1011826232 /nfs/dbraw/zinc/82/62/32/1011826232.db2.gz ODSXOQBXNIDLPN-ONGXEEELSA-N 1 0 309.370 -0.294 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001483288894 1011828868 /nfs/dbraw/zinc/82/88/68/1011828868.db2.gz JEZIEDZOWXQGHE-VIFPVBQESA-N 1 0 301.778 -0.263 20 30 DBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001483290257 1011830572 /nfs/dbraw/zinc/83/05/72/1011830572.db2.gz IANGPGYDLKIKBX-DTWKUNHWSA-N 1 0 302.762 -0.179 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccnc1OCC ZINC001483289654 1011830647 /nfs/dbraw/zinc/83/06/47/1011830647.db2.gz ZMGVJYODOSVXNP-LBPRGKRZSA-N 1 0 318.377 -0.062 20 30 DBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1noc2c1COCC2 ZINC001483295314 1011832656 /nfs/dbraw/zinc/83/26/56/1011832656.db2.gz MRFAEYKLABGSLY-VIFPVBQESA-N 1 0 321.337 -0.905 20 30 DBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CCS(=O)(=O)N(C)C ZINC001483297031 1011832693 /nfs/dbraw/zinc/83/26/93/1011832693.db2.gz MQDNZRFTDIAHGC-LBPRGKRZSA-N 1 0 319.427 -0.988 20 30 DBEDRO CC(C)[N@H+](C)CC(=O)N1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001453945877 1011839034 /nfs/dbraw/zinc/83/90/34/1011839034.db2.gz IPINZNQYSHGPHF-AWEZNQCLSA-N 1 0 323.441 -0.253 20 30 DBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001483367087 1011856526 /nfs/dbraw/zinc/85/65/26/1011856526.db2.gz BXSNNBRNGKSIRL-ZDUSSCGKSA-N 1 0 323.397 -0.942 20 30 DBEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)c2cnon2)C1=O ZINC001483396581 1011864429 /nfs/dbraw/zinc/86/44/29/1011864429.db2.gz BBUWDAAKXFAFBO-CMPLNLGQSA-N 1 0 307.354 -0.093 20 30 DBEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)c2cnon2)C1=O ZINC001483396584 1011865957 /nfs/dbraw/zinc/86/59/57/1011865957.db2.gz BBUWDAAKXFAFBO-ZYHUDNBSSA-N 1 0 307.354 -0.093 20 30 DBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001483406891 1011870463 /nfs/dbraw/zinc/87/04/63/1011870463.db2.gz ISSNHOPIUHJDLL-SECBINFHSA-N 1 0 308.338 -0.030 20 30 DBEDRO C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)NC ZINC001483440721 1011876200 /nfs/dbraw/zinc/87/62/00/1011876200.db2.gz ZFTHBZQEWOAEJT-NEPJUHHUSA-N 1 0 318.443 -0.509 20 30 DBEDRO C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CCOCC1=O ZINC001483436082 1011876234 /nfs/dbraw/zinc/87/62/34/1011876234.db2.gz AMVHBAITHCYYAJ-KGLIPLIRSA-N 1 0 307.394 -0.257 20 30 DBEDRO C[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)n1cccn1 ZINC001483453877 1011877359 /nfs/dbraw/zinc/87/73/59/1011877359.db2.gz LGBQZHYXZTYOPQ-GFCCVEGCSA-N 1 0 306.370 -0.478 20 30 DBEDRO C[C@H](C#N)C(=O)N(C)CCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001483456243 1011879467 /nfs/dbraw/zinc/87/94/67/1011879467.db2.gz QTNODAWJFLDCAQ-OLZOCXBDSA-N 1 0 310.398 -0.263 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)c1cccc(=O)[nH]1 ZINC001483457736 1011879610 /nfs/dbraw/zinc/87/96/10/1011879610.db2.gz SPUNAADTYDPRFY-UHFFFAOYSA-N 1 0 304.350 -0.412 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001483485922 1011887807 /nfs/dbraw/zinc/88/78/07/1011887807.db2.gz OPVBUGVZSBLHNG-OLZOCXBDSA-N 1 0 322.409 -0.817 20 30 DBEDRO C#CC[NH2+]CCCN(C)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001483501520 1011891297 /nfs/dbraw/zinc/89/12/97/1011891297.db2.gz XEJNMQOUDCVMHT-CYBMUJFWSA-N 1 0 305.382 -0.001 20 30 DBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001483503804 1011891783 /nfs/dbraw/zinc/89/17/83/1011891783.db2.gz VWTNCDOOUXHFHN-XJKSGUPXSA-N 1 0 307.394 -0.400 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001483541584 1011897369 /nfs/dbraw/zinc/89/73/69/1011897369.db2.gz JGNXIIOKONXLBX-GFCCVEGCSA-N 1 0 317.349 -0.970 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001483553750 1011898912 /nfs/dbraw/zinc/89/89/12/1011898912.db2.gz SZGIFBJORMFPON-QWHCGFSZSA-N 1 0 322.409 -0.701 20 30 DBEDRO N#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001483549536 1011899079 /nfs/dbraw/zinc/89/90/79/1011899079.db2.gz IQUATXISSXHSSS-OLZOCXBDSA-N 1 0 308.382 -0.463 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1cc(C)ncn1)C1CC1 ZINC001483554535 1011907979 /nfs/dbraw/zinc/90/79/79/1011907979.db2.gz CPYQKCBHGVZEIF-CQSZACIVSA-N 1 0 315.377 -0.368 20 30 DBEDRO C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)CC1(O)CCC1)C1CC1 ZINC001483560347 1011915903 /nfs/dbraw/zinc/91/59/03/1011915903.db2.gz SKNLGBYCICWEBM-CYBMUJFWSA-N 1 0 307.394 -0.475 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001483568293 1011920942 /nfs/dbraw/zinc/92/09/42/1011920942.db2.gz DEKFFSARUOMAFI-OLZOCXBDSA-N 1 0 322.409 -0.558 20 30 DBEDRO C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001483586847 1011941283 /nfs/dbraw/zinc/94/12/83/1011941283.db2.gz YBZBZKZEJFQRQJ-WBMJQRKESA-N 1 0 322.409 -0.558 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)c1cnon1)C1CC1 ZINC001483594033 1011953573 /nfs/dbraw/zinc/95/35/73/1011953573.db2.gz FHWVBXYECNEEBN-ONGXEEELSA-N 1 0 307.354 -0.142 20 30 DBEDRO CC1(C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)CCOCC1 ZINC001483594188 1011954615 /nfs/dbraw/zinc/95/46/15/1011954615.db2.gz GZYNVZMGUCHGGK-CYBMUJFWSA-N 1 0 322.409 -0.073 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)c1cnn(C)n1)C1CC1 ZINC001483594371 1011954876 /nfs/dbraw/zinc/95/48/76/1011954876.db2.gz ICCSROVVFIWYGH-CMPLNLGQSA-N 1 0 320.397 -0.396 20 30 DBEDRO C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)Cc1cccnc1 ZINC001483641458 1012000120 /nfs/dbraw/zinc/00/01/20/1012000120.db2.gz AWGIMXHXZSJVRP-HIFRSBDPSA-N 1 0 314.389 -0.048 20 30 DBEDRO C[NH+](C)C1(C(=O)NC[C@@H]2CCN2CC(=O)NCC#N)CCC1 ZINC001483655008 1012020507 /nfs/dbraw/zinc/02/05/07/1012020507.db2.gz JWLBZCLADYXENC-LBPRGKRZSA-N 1 0 307.398 -0.699 20 30 DBEDRO C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001483657838 1012024770 /nfs/dbraw/zinc/02/47/70/1012024770.db2.gz DZTKBRYPVQXOFW-ZIAGYGMSSA-N 1 0 308.426 -0.037 20 30 DBEDRO CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001496936838 1017107991 /nfs/dbraw/zinc/10/79/91/1017107991.db2.gz FDPRUIALNMBNAQ-BBRMVZONSA-N 1 0 317.389 -0.371 20 30 DBEDRO C#CCNC(=O)CN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483677949 1012044924 /nfs/dbraw/zinc/04/49/24/1012044924.db2.gz ZIYVWJSIKDCVKV-ZDUSSCGKSA-N 1 0 306.410 -0.732 20 30 DBEDRO C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NC(=O)c1c[nH]c(C#N)c1 ZINC001454584612 1012050559 /nfs/dbraw/zinc/05/05/59/1012050559.db2.gz XIMOHBDTGGTJHN-MFKMUULPSA-N 1 0 319.365 -0.549 20 30 DBEDRO C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NC(=O)c1c[nH]c(C#N)c1 ZINC001454584610 1012052663 /nfs/dbraw/zinc/05/26/63/1012052663.db2.gz XIMOHBDTGGTJHN-GXFFZTMASA-N 1 0 319.365 -0.549 20 30 DBEDRO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2CC(=O)NCC#N)C1 ZINC001483695094 1012059665 /nfs/dbraw/zinc/05/96/65/1012059665.db2.gz ORRJRHCTPPUGOT-OLZOCXBDSA-N 1 0 307.398 -0.842 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)c2cnccn2)CC1 ZINC001483712292 1012080168 /nfs/dbraw/zinc/08/01/68/1012080168.db2.gz GFFADRPVCKSFJK-LLVKDONJSA-N 1 0 301.350 -0.534 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2cc[nH]n2)CC1 ZINC001483725143 1012086297 /nfs/dbraw/zinc/08/62/97/1012086297.db2.gz SZLKWNBSAKRXRW-NSHDSACASA-N 1 0 305.382 -0.119 20 30 DBEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1 ZINC001483734439 1012098992 /nfs/dbraw/zinc/09/89/92/1012098992.db2.gz ZBSVQHGDAYCSMS-WDEREUQCSA-N 1 0 324.381 -0.893 20 30 DBEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001483734436 1012100248 /nfs/dbraw/zinc/10/02/48/1012100248.db2.gz ZBSVQHGDAYCSMS-GHMZBOCLSA-N 1 0 324.381 -0.893 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2ccn(C)n2)CC1 ZINC001483732311 1012100759 /nfs/dbraw/zinc/10/07/59/1012100759.db2.gz GJMVUBQLEAJJCU-LBPRGKRZSA-N 1 0 319.409 -0.108 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2cnc(C)o2)CC1 ZINC001483740596 1012104426 /nfs/dbraw/zinc/10/44/26/1012104426.db2.gz LNNRVTMLMHGUMP-LLVKDONJSA-N 1 0 318.377 -0.098 20 30 DBEDRO Cc1nn(C)c(C)c1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001483757383 1012114309 /nfs/dbraw/zinc/11/43/09/1012114309.db2.gz PISSWWXEURMSHC-UHFFFAOYSA-N 1 0 318.381 -0.471 20 30 DBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)c2cn(C)nc2OC)CC1 ZINC001483757462 1012114927 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CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001566560258 1024248590 /nfs/dbraw/zinc/24/85/90/1024248590.db2.gz JBQFMXVRWRQSOV-ZIAGYGMSSA-N 1 0 309.410 -0.024 20 30 DBEDRO C#CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001566614694 1024277068 /nfs/dbraw/zinc/27/70/68/1024277068.db2.gz DJNUZGNHAVRBSF-LBPRGKRZSA-N 1 0 306.366 -0.469 20 30 DBEDRO C#CCN1CC[NH+](CCCNC(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC001566642042 1024301713 /nfs/dbraw/zinc/30/17/13/1024301713.db2.gz MUJVOGLHEAKYEZ-OAHLLOKOSA-N 1 0 320.437 -0.198 20 30 DBEDRO C#CCN1CC[NH+](CCCNC(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001566642631 1024307150 /nfs/dbraw/zinc/30/71/50/1024307150.db2.gz JOYGMEDFQZTJHU-UHFFFAOYSA-N 1 0 317.393 -0.139 20 30 DBEDRO C#CCN1CC[NH+](CCCNC(=O)CCCn2cncn2)CC1 ZINC001566645324 1024307489 /nfs/dbraw/zinc/30/74/89/1024307489.db2.gz ATNAHKLQWIPCRM-UHFFFAOYSA-N 1 0 318.425 -0.185 20 30 DBEDRO COCC[NH+]1CCN(CCNC(=O)CSCC#N)CC1 ZINC001566647465 1024311637 /nfs/dbraw/zinc/31/16/37/1024311637.db2.gz 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DBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1 ZINC001566679535 1024345169 /nfs/dbraw/zinc/34/51/69/1024345169.db2.gz XJHGNDQNWVLBON-GXTWGEPZSA-N 1 0 313.423 -0.328 20 30 DBEDRO C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)COCC)CC1 ZINC001566684941 1024345243 /nfs/dbraw/zinc/34/52/43/1024345243.db2.gz ZSKKPVOXGOWJCT-CYBMUJFWSA-N 1 0 307.394 -0.257 20 30 DBEDRO CC#CC[NH2+][C@H](CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1CC1 ZINC001566717436 1024351725 /nfs/dbraw/zinc/35/17/25/1024351725.db2.gz NTKNEIURZSYKQB-CHWSQXEVSA-N 1 0 315.439 -0.049 20 30 DBEDRO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)COCC)C1 ZINC001566733019 1024356511 /nfs/dbraw/zinc/35/65/11/1024356511.db2.gz ZJJBHAFBAMEJGI-AWEZNQCLSA-N 1 0 309.410 -0.057 20 30 DBEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001566768983 1024363876 /nfs/dbraw/zinc/36/38/76/1024363876.db2.gz FVXTZNMOXOYERV-GUTXKFCHSA-N 1 0 320.393 -0.368 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)C(N)=O)C1 ZINC001566779882 1024365608 /nfs/dbraw/zinc/36/56/08/1024365608.db2.gz PBXILLBOJKXUOX-QWHCGFSZSA-N 1 0 322.409 -0.926 20 30 DBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)COC)C1 ZINC001566780536 1024367437 /nfs/dbraw/zinc/36/74/37/1024367437.db2.gz HYVGXBWGDVJWTQ-GMTAPVOTSA-N 1 0 312.370 -0.730 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001566779883 1024368022 /nfs/dbraw/zinc/36/80/22/1024368022.db2.gz PBXILLBOJKXUOX-STQMWFEESA-N 1 0 322.409 -0.926 20 30 DBEDRO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001566792265 1024373863 /nfs/dbraw/zinc/37/38/63/1024373863.db2.gz FJMXYXNSGKGYCN-JHJVBQTASA-N 1 0 323.393 -0.037 20 30 DBEDRO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001566792264 1024374650 /nfs/dbraw/zinc/37/46/50/1024374650.db2.gz FJMXYXNSGKGYCN-AVGNSLFASA-N 1 0 323.393 -0.037 20 30 DBEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001566805105 1024375880 /nfs/dbraw/zinc/37/58/80/1024375880.db2.gz AQYGGQKOZOAEOE-XYPYZODXSA-N 1 0 304.416 -0.805 20 30 DBEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001566812985 1024379579 /nfs/dbraw/zinc/37/95/79/1024379579.db2.gz KWPASXRWROTBSK-IJLUTSLNSA-N 1 0 301.412 -0.119 20 30 DBEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)nc1 ZINC001566811144 1024379985 /nfs/dbraw/zinc/37/99/85/1024379985.db2.gz OABSAWUPBWSEEN-HDJSIYSDSA-N 1 0 303.362 -0.078 20 30 DBEDRO C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001566808992 1024380818 /nfs/dbraw/zinc/38/08/18/1024380818.db2.gz GXBSRKXVEOKNPF-KYZUINATSA-N 1 0 306.322 -0.230 20 30 DBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001566808510 1024380866 /nfs/dbraw/zinc/38/08/66/1024380866.db2.gz VGGVNNQQTSEGEG-HAQNSBGRSA-N 1 0 315.377 -0.113 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001566834612 1024384695 /nfs/dbraw/zinc/38/46/95/1024384695.db2.gz MTVSXYKAJHMBBW-UTUOFQBUSA-N 1 0 320.397 -0.335 20 30 DBEDRO CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C#CC2CC2)C1 ZINC001566838632 1024385830 /nfs/dbraw/zinc/38/58/30/1024385830.db2.gz WXIXCMOBMJPMRG-BETUJISGSA-N 1 0 320.393 -0.128 20 30 DBEDRO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001566836427 1024386511 /nfs/dbraw/zinc/38/65/11/1024386511.db2.gz GIVVNXCQFKESGY-DDIVZENXSA-N 1 0 309.366 -0.645 20 30 DBEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001566836976 1024387866 /nfs/dbraw/zinc/38/78/66/1024387866.db2.gz XHRAQAVYCKJYGY-ISTVAULSSA-N 1 0 312.370 -0.994 20 30 DBEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001566862003 1024392223 /nfs/dbraw/zinc/39/22/23/1024392223.db2.gz KWPASXRWROTBSK-GRYCIOLGSA-N 1 0 301.412 -0.119 20 30 DBEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)nc1 ZINC001566860270 1024392914 /nfs/dbraw/zinc/39/29/14/1024392914.db2.gz UBNSNDRKJCCJMI-MJBXVCDLSA-N 1 0 303.362 -0.079 20 30 DBEDRO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001566873928 1024395737 /nfs/dbraw/zinc/39/57/37/1024395737.db2.gz PVXQHTOCCSRPHR-GJZGRUSLSA-N 1 0 321.421 -0.057 20 30 DBEDRO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001566872266 1024398493 /nfs/dbraw/zinc/39/84/93/1024398493.db2.gz VKMZRKGADUSWLO-GJZGRUSLSA-N 1 0 321.421 -0.009 20 30 DBEDRO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001566871542 1024400798 /nfs/dbraw/zinc/40/07/98/1024400798.db2.gz FRZVFXOIMAQTGY-CQSZACIVSA-N 1 0 324.425 -0.357 20 30 DBEDRO C=CCOCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001566889096 1024401491 /nfs/dbraw/zinc/40/14/91/1024401491.db2.gz BJRLIDYJVRRGMN-LLVKDONJSA-N 1 0 312.370 -0.788 20 30 DBEDRO C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001566877256 1024404127 /nfs/dbraw/zinc/40/41/27/1024404127.db2.gz TYJWZAVMTGRFAD-STQMWFEESA-N 1 0 310.398 -0.301 20 30 DBEDRO C#CCC[N@H+]1CCC[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001566881556 1024408265 /nfs/dbraw/zinc/40/82/65/1024408265.db2.gz VQTMNXMKUYBWRW-GFCCVEGCSA-N 1 0 301.412 -0.613 20 30 DBEDRO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001566893264 1024412499 /nfs/dbraw/zinc/41/24/99/1024412499.db2.gz CXUYRJWOXGQVGI-LBPRGKRZSA-N 1 0 320.397 -0.219 20 30 DBEDRO COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001566905172 1024415219 /nfs/dbraw/zinc/41/52/19/1024415219.db2.gz NSHLWWJFRHLPQF-YOEHRIQHSA-N 1 0 321.421 -0.009 20 30 DBEDRO C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001566910851 1024419493 /nfs/dbraw/zinc/41/94/93/1024419493.db2.gz BTWVZMXSNZMHAP-NSHDSACASA-N 1 0 301.350 -0.350 20 30 DBEDRO CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001566905754 1024420675 /nfs/dbraw/zinc/42/06/75/1024420675.db2.gz FSPNHYPEBKDBJP-KGLIPLIRSA-N 1 0 322.409 -0.782 20 30 DBEDRO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)C(=O)COC)C1 ZINC001566963222 1024432428 /nfs/dbraw/zinc/43/24/28/1024432428.db2.gz RDJINCTZPMEQCD-KBPBESRZSA-N 1 0 309.410 -0.059 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC001566970402 1024441104 /nfs/dbraw/zinc/44/11/04/1024441104.db2.gz CAZNDDHGNKSLER-QMIVOQANSA-N 1 0 319.405 -0.260 20 30 DBEDRO CC#CC[NH2+]C1CCC(NC(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC001566991042 1024454059 /nfs/dbraw/zinc/45/40/59/1024454059.db2.gz GBPLRTLQXHRWAW-UHFFFAOYSA-N 1 0 319.409 -0.069 20 30 DBEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001566996731 1024455853 /nfs/dbraw/zinc/45/58/53/1024455853.db2.gz OBSNOJDVJQWNSX-PWSUYJOCSA-N 1 0 319.365 -0.323 20 30 DBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001566998897 1024456800 /nfs/dbraw/zinc/45/68/00/1024456800.db2.gz BHEZVLYINVNBOF-VIFPVBQESA-N 1 0 308.342 -0.871 20 30 DBEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CCN1C(=O)CCC1=O ZINC001567010493 1024463554 /nfs/dbraw/zinc/46/35/54/1024463554.db2.gz UXKRTFCYUZQYBX-SNVBAGLBSA-N 1 0 317.349 -0.257 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(C)c1N ZINC001567012168 1024464259 /nfs/dbraw/zinc/46/42/59/1024464259.db2.gz PVMRQEREGGTCDY-ZJUUUORDSA-N 1 0 308.386 -0.599 20 30 DBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(C)c1N ZINC001567012165 1024464861 /nfs/dbraw/zinc/46/48/61/1024464861.db2.gz PVMRQEREGGTCDY-NXEZZACHSA-N 1 0 308.386 -0.599 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cn2c(n1)CCC2 ZINC001567015810 1024465157 /nfs/dbraw/zinc/46/51/57/1024465157.db2.gz BLSCEPOCUKDMLI-VXGBXAGGSA-N 1 0 317.393 -0.325 20 30 DBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc(C)nn1 ZINC001567014681 1024465230 /nfs/dbraw/zinc/46/52/30/1024465230.db2.gz DBTLWALCIVYBBZ-NWDGAFQWSA-N 1 0 303.366 -0.369 20 30 DBEDRO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CCN1C(=O)CCC1=O ZINC001567010492 1024465614 /nfs/dbraw/zinc/46/56/14/1024465614.db2.gz UXKRTFCYUZQYBX-JTQLQIEISA-N 1 0 317.349 -0.257 20 30 DBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001567016864 1024467125 /nfs/dbraw/zinc/46/71/25/1024467125.db2.gz OMWNQCOFFAFSJR-MNOVXSKESA-N 1 0 321.381 -0.116 20 30 DBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001567020993 1024469794 /nfs/dbraw/zinc/46/97/94/1024469794.db2.gz DJALQECOQHSLJP-SNVBAGLBSA-N 1 0 302.338 -0.289 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001567026017 1024476364 /nfs/dbraw/zinc/47/63/64/1024476364.db2.gz SOXPIQMKMZTWBT-SCZZXKLOSA-N 1 0 307.354 -0.730 20 30 DBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001567025810 1024478474 /nfs/dbraw/zinc/47/84/74/1024478474.db2.gz PKZNVWFCSFQGOS-GXSJLCMTSA-N 1 0 321.381 -0.081 20 30 DBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001567026019 1024478669 /nfs/dbraw/zinc/47/86/69/1024478669.db2.gz SOXPIQMKMZTWBT-WPRPVWTQSA-N 1 0 307.354 -0.730 20 30 DBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cn(C)ccc1=O ZINC001567034965 1024482564 /nfs/dbraw/zinc/48/25/64/1024482564.db2.gz HESAFCJANLWJQA-NSHDSACASA-N 1 0 306.366 -0.605 20 30 DBEDRO 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