smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977976 884079590 /nfs/dbraw/zinc/07/95/90/884079590.db2.gz YODUAOGOQZUCRG-SDDRHHMPSA-N 2 0 260.309 -1.351 20 30 CAEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001331684834 885310950 /nfs/dbraw/zinc/31/09/50/885310950.db2.gz QOOGNAYODMYALP-NEPJUHHUSA-N 2 0 269.345 -1.593 20 30 CAEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1(O)C[NH2+]C1)C2 ZINC001340709349 885812707 /nfs/dbraw/zinc/81/27/07/885812707.db2.gz OEKUPKXIEJJKOU-SQLBVSGCSA-N 2 0 264.329 -1.424 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343466172 885917783 /nfs/dbraw/zinc/91/77/83/885917783.db2.gz FHRGMJZXKNTJCU-FOGDFJRCSA-N 2 0 252.318 -1.281 20 30 CAEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001354382280 886311048 /nfs/dbraw/zinc/31/10/48/886311048.db2.gz UFCBTLFQUCIGTJ-NSHDSACASA-N 2 0 266.345 -1.335 20 30 CAEDRP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317068115 884170997 /nfs/dbraw/zinc/17/09/97/884170997.db2.gz REORXHBIYGIBNE-LBPRGKRZSA-N 2 0 293.371 -1.088 20 30 CAEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1CCCC1 ZINC001317660198 884233256 /nfs/dbraw/zinc/23/32/56/884233256.db2.gz ANSZNPULABSAIE-UHFFFAOYSA-N 2 0 281.360 -1.230 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320206458 884390830 /nfs/dbraw/zinc/39/08/30/884390830.db2.gz YTHDTCGDAUYONA-NEPJUHHUSA-N 2 0 298.387 -1.551 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321616810 884502154 /nfs/dbraw/zinc/50/21/54/884502154.db2.gz GXDXXCXEYBSISB-VXGBXAGGSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001321640273 884507200 /nfs/dbraw/zinc/50/72/00/884507200.db2.gz DEFKXGUWAPEDAR-LLVKDONJSA-N 2 0 268.361 -1.218 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001321746291 884516996 /nfs/dbraw/zinc/51/69/96/884516996.db2.gz JSKYVGRGOJQBBI-GFCCVEGCSA-N 2 0 280.372 -1.074 20 30 CAEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001327131341 884864029 /nfs/dbraw/zinc/86/40/29/884864029.db2.gz PGULBWJRJBHSQK-NSHDSACASA-N 2 0 281.360 -1.054 20 30 CAEDRP COC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]CC1 ZINC001330596312 885211643 /nfs/dbraw/zinc/21/16/43/885211643.db2.gz RNMYIKYFMSNJEA-VHSXEESVSA-N 2 0 252.318 -1.017 20 30 CAEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001331684839 885308216 /nfs/dbraw/zinc/30/82/16/885308216.db2.gz QOOGNAYODMYALP-RYUDHWBXSA-N 2 0 269.345 -1.593 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001340855995 885816921 /nfs/dbraw/zinc/81/69/21/885816921.db2.gz YSUDNKZFXSWAPU-UHFFFAOYSA-N 2 0 292.383 -1.024 20 30 CAEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001341642208 885849653 /nfs/dbraw/zinc/84/96/53/885849653.db2.gz HZDWZTDIDONVCB-WISYIIOYSA-N 2 0 263.345 -1.398 20 30 CAEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001341642206 885850150 /nfs/dbraw/zinc/85/01/50/885850150.db2.gz HZDWZTDIDONVCB-NOOOWODRSA-N 2 0 263.345 -1.398 20 30 CAEDRP C#CC[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345943651 885973264 /nfs/dbraw/zinc/97/32/64/885973264.db2.gz KVFGFBIVQVNSOA-QWHCGFSZSA-N 2 0 255.362 -1.432 20 30 CAEDRP C#CC[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345943640 885974326 /nfs/dbraw/zinc/97/43/26/885974326.db2.gz KVFGFBIVQVNSOA-CHWSQXEVSA-N 2 0 255.362 -1.432 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001346028463 885982921 /nfs/dbraw/zinc/98/29/21/885982921.db2.gz IBTWANJXFSFHIZ-MWLCHTKSSA-N 2 0 252.318 -1.017 20 30 CAEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001353580685 886284836 /nfs/dbraw/zinc/28/48/36/886284836.db2.gz CDAOLNRRTZEORM-GFCCVEGCSA-N 2 0 252.362 -1.039 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357151660 886397689 /nfs/dbraw/zinc/39/76/89/886397689.db2.gz YUVNQIZZHBMIFW-MXWKQRLJSA-N 2 0 264.329 -1.017 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001357993996 886417832 /nfs/dbraw/zinc/41/78/32/886417832.db2.gz UKJJWMDJNNACAP-UTUOFQBUSA-N 2 0 292.339 -1.397 20 30 CAEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480170780 892503687 /nfs/dbraw/zinc/50/36/87/892503687.db2.gz FIBURJXJCKAPCY-HAQNSBGRSA-N 2 0 293.371 -1.041 20 30 CAEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480171149 892505328 /nfs/dbraw/zinc/50/53/28/892505328.db2.gz LNRDCRLWJXNGIM-IJLUTSLNSA-N 2 0 293.371 -1.185 20 30 CAEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[NH+](C)C ZINC001481276912 892592792 /nfs/dbraw/zinc/59/27/92/892592792.db2.gz HREVNUQZXSZANT-UHFFFAOYSA-N 2 0 269.349 -1.374 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O)CC1 ZINC001482799884 892708136 /nfs/dbraw/zinc/70/81/36/892708136.db2.gz SJZTYIWOJIZASJ-TZMCWYRMSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001484501524 892873020 /nfs/dbraw/zinc/87/30/20/892873020.db2.gz YPBNKKFCSMSHLG-CQSZACIVSA-N 2 0 297.399 -1.002 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001490841534 893224294 /nfs/dbraw/zinc/22/42/94/893224294.db2.gz TUQUAUOFARMKGR-LBPRGKRZSA-N 2 0 280.372 -1.122 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490857558 893225319 /nfs/dbraw/zinc/22/53/19/893225319.db2.gz OKIMHOWRFCMFIW-STQMWFEESA-N 2 0 292.383 -1.122 20 30 CAEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498710 893400485 /nfs/dbraw/zinc/40/04/85/893400485.db2.gz DLTVZIJMTDKHLW-LLVKDONJSA-N 2 0 281.360 -1.232 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001496954881 893559036 /nfs/dbraw/zinc/55/90/36/893559036.db2.gz KPFXPGPAYQEOLJ-QWRGUYRKSA-N 2 0 297.359 -2.213 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001496954880 893559103 /nfs/dbraw/zinc/55/91/03/893559103.db2.gz KPFXPGPAYQEOLJ-MNOVXSKESA-N 2 0 297.359 -2.213 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497114430 893605670 /nfs/dbraw/zinc/60/56/70/893605670.db2.gz QOLZSWLYOJGBCA-VXGBXAGGSA-N 2 0 298.387 -1.693 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001498104456 893654639 /nfs/dbraw/zinc/65/46/39/893654639.db2.gz DEFKXGUWAPEDAR-NSHDSACASA-N 2 0 268.361 -1.218 20 30 CAEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CN(CC)CCO1 ZINC001501514155 893811212 /nfs/dbraw/zinc/81/12/12/893811212.db2.gz BGYQTJFSSKHIMO-ZDUSSCGKSA-N 2 0 283.372 -1.249 20 30 CAEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CN(CC)CCO1 ZINC001501514154 893815225 /nfs/dbraw/zinc/81/52/25/893815225.db2.gz BGYQTJFSSKHIMO-CYBMUJFWSA-N 2 0 283.372 -1.249 20 30 CAEDRP C#CC[NH2+][C@@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001507196339 893987198 /nfs/dbraw/zinc/98/71/98/893987198.db2.gz PGSBTNITQSDRBX-GFCCVEGCSA-N 2 0 293.371 -1.242 20 30 CAEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001507234064 894009585 /nfs/dbraw/zinc/00/95/85/894009585.db2.gz YOGPQUMBGIATMT-GFCCVEGCSA-N 2 0 271.361 -1.345 20 30 CAEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507252868 894025995 /nfs/dbraw/zinc/02/59/95/894025995.db2.gz LXZAQQRJRWPTBQ-LLVKDONJSA-N 2 0 251.330 -1.218 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524028990 894272522 /nfs/dbraw/zinc/27/25/22/894272522.db2.gz HMMZGUPFPNXITB-NEPJUHHUSA-N 2 0 252.362 -1.040 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524028993 894272925 /nfs/dbraw/zinc/27/29/25/894272925.db2.gz HMMZGUPFPNXITB-VXGBXAGGSA-N 2 0 252.362 -1.040 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524028991 894273357 /nfs/dbraw/zinc/27/33/57/894273357.db2.gz HMMZGUPFPNXITB-NWDGAFQWSA-N 2 0 252.362 -1.040 20 30 CAEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)NCC#N ZINC000588746654 372880652 /nfs/dbraw/zinc/88/06/52/372880652.db2.gz FWJROGMPGRWDSD-UHFFFAOYSA-N 2 0 298.391 -1.239 20 30 CAEDRP C[NH+]=C(NCCOC)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262754895 330029370 /nfs/dbraw/zinc/02/93/70/330029370.db2.gz HKNSTDCXLOROSS-NSHDSACASA-N 2 0 255.366 -1.202 20 30 CAEDRP C#CC[N@H+](C)CCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000491699683 332294261 /nfs/dbraw/zinc/29/42/61/332294261.db2.gz JHPFTRMKGAEVDQ-UHFFFAOYSA-N 2 0 295.387 -1.328 20 30 CAEDRP C#CCN1CCN(C(=O)C[NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000491705111 332298309 /nfs/dbraw/zinc/29/83/09/332298309.db2.gz IODLQAWIEYNDFT-CHWSQXEVSA-N 2 0 281.356 -1.233 20 30 CAEDRP O[C@@H]1C[C@H](O)CN(CC#CC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000671241398 545553731 /nfs/dbraw/zinc/55/37/31/545553731.db2.gz NBUJDNOITAQQIR-KPWCQOOUSA-N 2 0 284.356 -2.155 20 30 CAEDRP C#CCOCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000841874981 582114846 /nfs/dbraw/zinc/11/48/46/582114846.db2.gz MDVLWDFRFIWAPD-LLVKDONJSA-N 2 0 254.334 -1.080 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834484528 582210379 /nfs/dbraw/zinc/21/03/79/582210379.db2.gz KBOLENCDJMVLLN-XCBNKYQSSA-N 2 0 260.301 -1.103 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000834484604 582210392 /nfs/dbraw/zinc/21/03/92/582210392.db2.gz KVXGUNUYZUKCMR-GMTAPVOTSA-N 2 0 279.344 -1.528 20 30 CAEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]C1 ZINC000834494491 582210512 /nfs/dbraw/zinc/21/05/12/582210512.db2.gz NKVDBYYSGHENMX-SCVCMEIPSA-N 2 0 252.318 -1.160 20 30 CAEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]C1 ZINC000834494489 582210534 /nfs/dbraw/zinc/21/05/34/582210534.db2.gz NKVDBYYSGHENMX-FOGDFJRCSA-N 2 0 252.318 -1.160 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000834507019 582210794 /nfs/dbraw/zinc/21/07/94/582210794.db2.gz XEAVTKPDTJKAHE-OUAUKWLOSA-N 2 0 252.318 -1.017 20 30 CAEDRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843460070 582214397 /nfs/dbraw/zinc/21/43/97/582214397.db2.gz LJOBPBYJAMYKDP-NGZCFLSTSA-N 2 0 267.333 -1.686 20 30 CAEDRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843460072 582214426 /nfs/dbraw/zinc/21/44/26/582214426.db2.gz LJOBPBYJAMYKDP-YWVKMMECSA-N 2 0 267.333 -1.686 20 30 CAEDRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843460069 582214507 /nfs/dbraw/zinc/21/45/07/582214507.db2.gz LJOBPBYJAMYKDP-KKZNHRDASA-N 2 0 267.333 -1.686 20 30 CAEDRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195052 582216262 /nfs/dbraw/zinc/21/62/62/582216262.db2.gz PLHMVHYKHMERMP-UTUOFQBUSA-N 2 0 293.371 -1.376 20 30 CAEDRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000844195053 582216268 /nfs/dbraw/zinc/21/62/68/582216268.db2.gz PLHMVHYKHMERMP-WOPDTQHZSA-N 2 0 293.371 -1.376 20 30 CAEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C[NH2+]CCO1 ZINC000876801283 582263183 /nfs/dbraw/zinc/26/31/83/582263183.db2.gz AIYJJPLGHUBQJX-FOGDFJRCSA-N 2 0 268.317 -1.781 20 30 CAEDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801680 582263267 /nfs/dbraw/zinc/26/32/67/582263267.db2.gz HJSWEOPZRUKACC-WDCWCFNPSA-N 2 0 252.318 -1.019 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911702542 656253046 /nfs/dbraw/zinc/25/30/46/656253046.db2.gz NCKWYWGLZSPODV-CYBMUJFWSA-N 2 0 292.383 -1.120 20 30 CAEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000304763138 656988140 /nfs/dbraw/zinc/98/81/40/656988140.db2.gz WLOCDRHAOHLUND-SNVBAGLBSA-N 2 0 296.375 -1.073 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291293 776774703 /nfs/dbraw/zinc/77/47/03/776774703.db2.gz OEEFEJBDJPCSMZ-NSHDSACASA-N 2 0 268.361 -1.218 20 30 CAEDRP C#CCOC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001251877937 780578705 /nfs/dbraw/zinc/57/87/05/780578705.db2.gz VRUSKXZKQBBQMQ-CYBMUJFWSA-N 2 0 255.362 -1.166 20 30 CAEDRP C[NH+](C)CC#CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001256585359 780625002 /nfs/dbraw/zinc/62/50/02/780625002.db2.gz QFUDOHOHYPDUPE-ZDUSSCGKSA-N 2 0 268.361 -1.083 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O)CC1 ZINC001278203279 780515444 /nfs/dbraw/zinc/51/54/44/780515444.db2.gz ZZRWHNJZUMZWAS-GXTWGEPZSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)CC1 ZINC001278203281 780516225 /nfs/dbraw/zinc/51/62/25/780516225.db2.gz ZZRWHNJZUMZWAS-OCCSQVGLSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)CC1 ZINC001278203280 780516289 /nfs/dbraw/zinc/51/62/89/780516289.db2.gz ZZRWHNJZUMZWAS-JSGCOSHPSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH2+]CC(=O)NCCN1CC[NH+](CC)CC1 ZINC001263102789 780719457 /nfs/dbraw/zinc/71/94/57/780719457.db2.gz FFXCYXXJHSXONS-UHFFFAOYSA-N 2 0 252.362 -1.037 20 30 CAEDRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001266927719 775183928 /nfs/dbraw/zinc/18/39/28/775183928.db2.gz LNQRWWKHOCVOSI-MNOVXSKESA-N 2 0 281.360 -1.185 20 30 CAEDRP Cc1nc[nH]c1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149130319 775416080 /nfs/dbraw/zinc/41/60/80/775416080.db2.gz MJNDTZJMWLRQMY-UHFFFAOYSA-N 2 0 278.316 -1.394 20 30 CAEDRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC#N ZINC001270595515 775537502 /nfs/dbraw/zinc/53/75/02/775537502.db2.gz OLEVOWQKVDCKCD-NEPJUHHUSA-N 2 0 295.387 -1.080 20 30 CAEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001271133308 775572929 /nfs/dbraw/zinc/57/29/29/775572929.db2.gz YGDKVBZLLOQDJR-UKRRQHHQSA-N 2 0 295.383 -1.107 20 30 CAEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001271133306 775574272 /nfs/dbraw/zinc/57/42/72/775574272.db2.gz YGDKVBZLLOQDJR-DZGCQCFKSA-N 2 0 295.383 -1.107 20 30 CAEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566455 775800980 /nfs/dbraw/zinc/80/09/80/775800980.db2.gz LGNYPGIXEQKFLR-YIYPIFLZSA-N 2 0 295.383 -1.110 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121931260 775919962 /nfs/dbraw/zinc/91/99/62/775919962.db2.gz IQUJPICSWWJPIY-UZWSLXQKSA-N 2 0 264.329 -1.160 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121931258 775920788 /nfs/dbraw/zinc/92/07/88/775920788.db2.gz IQUJPICSWWJPIY-DCQANWLSSA-N 2 0 264.329 -1.160 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474244 775986660 /nfs/dbraw/zinc/98/66/60/775986660.db2.gz KUSIATWPWJEJAA-GFCCVEGCSA-N 2 0 293.371 -1.326 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001078226991 776133498 /nfs/dbraw/zinc/13/34/98/776133498.db2.gz DDUZBQLQVUFPBF-ZIAGYGMSSA-N 2 0 295.383 -1.515 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155790282 776509734 /nfs/dbraw/zinc/50/97/34/776509734.db2.gz IZELJNCMDPGQBV-NSHDSACASA-N 2 0 281.360 -1.184 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435928 776620490 /nfs/dbraw/zinc/62/04/90/776620490.db2.gz JYAFTGCUQOSRAE-CYBMUJFWSA-N 2 0 280.372 -1.218 20 30 CAEDRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001129947205 776636472 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YSWGEJYRAUAHAF-GHMZBOCLSA-N 2 0 251.334 -1.363 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120580 779928049 /nfs/dbraw/zinc/92/80/49/779928049.db2.gz OFGDSPCERMMIFO-GXTWGEPZSA-N 2 0 276.340 -1.725 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN1 ZINC001160652371 779973857 /nfs/dbraw/zinc/97/38/57/779973857.db2.gz CCNCXVGQOPRCHD-MNOVXSKESA-N 2 0 251.334 -1.363 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001160877747 779985539 /nfs/dbraw/zinc/98/55/39/779985539.db2.gz BTOCOMFJNHCKHJ-IUCAKERBSA-N 2 0 258.347 -1.243 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160933925 779987773 /nfs/dbraw/zinc/98/77/73/779987773.db2.gz QREBVNAVXPAPBX-VXGBXAGGSA-N 2 0 281.360 -1.512 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160933334 779988023 /nfs/dbraw/zinc/98/80/23/779988023.db2.gz JIYJTVLZEKPIPI-NQBHXWOUSA-N 2 0 264.329 -1.064 20 30 CAEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001161491377 780015843 /nfs/dbraw/zinc/01/58/43/780015843.db2.gz DRGGIQXVRSFWLI-VIFPVBQESA-N 2 0 268.317 -1.032 20 30 CAEDRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001165794319 780088106 /nfs/dbraw/zinc/08/81/06/780088106.db2.gz RRWYKRIQNYBFQD-UHFFFAOYSA-N 2 0 269.349 -1.326 20 30 CAEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166707659 780092484 /nfs/dbraw/zinc/09/24/84/780092484.db2.gz HWKCULLXNIRZLI-NWDGAFQWSA-N 2 0 295.387 -1.080 20 30 CAEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166707654 780092932 /nfs/dbraw/zinc/09/29/32/780092932.db2.gz HWKCULLXNIRZLI-NEPJUHHUSA-N 2 0 295.387 -1.080 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1N ZINC001218661170 780179625 /nfs/dbraw/zinc/17/96/25/780179625.db2.gz WYLPJRHTBYNOKE-JMCQJSRRSA-N 2 0 275.316 -1.242 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1N ZINC001218659014 780180436 /nfs/dbraw/zinc/18/04/36/780180436.db2.gz CURCKZVYCSSOGL-LURJTMIESA-N 2 0 269.334 -1.421 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838679 780265755 /nfs/dbraw/zinc/26/57/55/780265755.db2.gz SYLRRLZHMKTZCE-XBFCOCLRSA-N 2 0 281.356 -1.152 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220036356 780295461 /nfs/dbraw/zinc/29/54/61/780295461.db2.gz NECDLAKRWFMXMF-VDDIYKPWSA-N 2 0 287.385 -1.227 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220036759 780295828 /nfs/dbraw/zinc/29/58/28/780295828.db2.gz VEEPGGZMIKOEGF-DTWKUNHWSA-N 2 0 275.374 -1.099 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220036160 780296640 /nfs/dbraw/zinc/29/66/40/780296640.db2.gz KSWKYMBPIWNYTB-SFYZADRCSA-N 2 0 273.358 -1.617 20 30 CAEDRP C[NH2+]CCNC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001220054657 780299464 /nfs/dbraw/zinc/29/94/64/780299464.db2.gz MGGHOBADMZVNLK-SFYZADRCSA-N 2 0 265.335 -1.971 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220498480 780354202 /nfs/dbraw/zinc/35/42/02/780354202.db2.gz HCBQMBWMWPDUFP-GBIKHYSHSA-N 2 0 280.328 -1.243 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220498766 780354719 /nfs/dbraw/zinc/35/47/19/780354719.db2.gz LCVSWCFLPIMZEU-UWVGGRQHSA-N 2 0 268.317 -1.115 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220498768 780355736 /nfs/dbraw/zinc/35/57/36/780355736.db2.gz LCVSWCFLPIMZEU-ZJUUUORDSA-N 2 0 268.317 -1.115 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220498687 780356000 /nfs/dbraw/zinc/35/60/00/780356000.db2.gz JVHDJYSHWKJBLW-RKDXNWHRSA-N 2 0 266.301 -1.633 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220829872 780384328 /nfs/dbraw/zinc/38/43/28/780384328.db2.gz COQNWQOTIJQJHW-LBPRGKRZSA-N 2 0 251.286 -1.126 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889935 780394385 /nfs/dbraw/zinc/39/43/85/780394385.db2.gz QWXYJHAUWROACP-BBBLOLIVSA-N 2 0 291.373 -1.439 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902850 780394768 /nfs/dbraw/zinc/39/47/68/780394768.db2.gz CSJZLVVIWIJUPX-VIFPVBQESA-N 2 0 258.282 -1.999 20 30 CAEDRP N#CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001220966665 780400270 /nfs/dbraw/zinc/40/02/70/780400270.db2.gz AMPZOKHPRUCOJO-JTQLQIEISA-N 2 0 264.329 -1.016 20 30 CAEDRP N#CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCOCC1 ZINC001220966666 780400809 /nfs/dbraw/zinc/40/08/09/780400809.db2.gz AMPZOKHPRUCOJO-SNVBAGLBSA-N 2 0 264.329 -1.016 20 30 CAEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277245819 780449759 /nfs/dbraw/zinc/44/97/59/780449759.db2.gz MYZCXFZNPOABGF-LBPRGKRZSA-N 2 0 292.383 -1.074 20 30 CAEDRP C=CC[NH2+]CCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235865446 780493758 /nfs/dbraw/zinc/49/37/58/780493758.db2.gz PLUIPPSTQOKXQK-UHFFFAOYSA-N 3 0 255.410 -1.154 20 30 CAEDRP C#CCOC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047413 780541151 /nfs/dbraw/zinc/54/11/51/780541151.db2.gz SHAKKWRMLMCGQG-DAAZQVBGSA-N 2 0 254.330 -1.097 20 30 CAEDRP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246047426 780541885 /nfs/dbraw/zinc/54/18/85/780541885.db2.gz SHAKKWRMLMCGQG-FXJUQPSGSA-N 2 0 254.330 -1.097 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001261462637 780664971 /nfs/dbraw/zinc/66/49/71/780664971.db2.gz YAGDCQSAGWLHPX-IUCAKERBSA-N 2 0 263.305 -1.532 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001261462638 780665544 /nfs/dbraw/zinc/66/55/44/780665544.db2.gz YAGDCQSAGWLHPX-RKDXNWHRSA-N 2 0 263.305 -1.532 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265507847 780752191 /nfs/dbraw/zinc/75/21/91/780752191.db2.gz XGZHRDPFHBCIEN-AVGNSLFASA-N 2 0 292.383 -1.076 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265551500 780753100 /nfs/dbraw/zinc/75/31/00/780753100.db2.gz AYXJOITYIDRABO-GRYCIOLGSA-N 2 0 293.371 -1.043 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265758523 780755054 /nfs/dbraw/zinc/75/50/54/780755054.db2.gz FNYWECVBAZOURO-RYUDHWBXSA-N 2 0 280.372 -1.076 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303541 781509939 /nfs/dbraw/zinc/50/99/39/781509939.db2.gz PSEZNNXZHFCMPI-UHFFFAOYSA-N 2 0 293.371 -1.182 20 30 CAEDRP COCC#CC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848122 781523026 /nfs/dbraw/zinc/52/30/26/781523026.db2.gz GCCGQHRPJGQYSZ-UHFFFAOYSA-N 2 0 271.361 -1.080 20 30 CAEDRP C=CCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841815 781523180 /nfs/dbraw/zinc/52/31/80/781523180.db2.gz IWZPTYYKSWCUTJ-UHFFFAOYSA-N 2 0 286.376 -1.427 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970284 781525315 /nfs/dbraw/zinc/52/53/15/781525315.db2.gz FWIRNBCBYRBFQF-UHFFFAOYSA-N 2 0 279.344 -1.572 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000062 781527361 /nfs/dbraw/zinc/52/73/61/781527361.db2.gz JOVGNCOURSFLDK-GFCCVEGCSA-N 2 0 292.383 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148639031 781539419 /nfs/dbraw/zinc/53/94/19/781539419.db2.gz YPRGMUPSUUEGSU-UHFFFAOYSA-N 2 0 268.361 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102494 781596954 /nfs/dbraw/zinc/59/69/54/781596954.db2.gz FSMPKPDHHXODDU-UHFFFAOYSA-N 2 0 280.372 -1.073 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176057536 781597557 /nfs/dbraw/zinc/59/75/57/781597557.db2.gz PUPZZNMIYNQOQR-GFCCVEGCSA-N 2 0 280.372 -1.217 20 30 CAEDRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176071019 781597947 /nfs/dbraw/zinc/59/79/47/781597947.db2.gz BEIVFDORXIZDHE-LLVKDONJSA-N 2 0 281.360 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049836 781696070 /nfs/dbraw/zinc/69/60/70/781696070.db2.gz ZUDSGVAGFWFQRK-NSHDSACASA-N 2 0 266.345 -1.607 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064428 781701146 /nfs/dbraw/zinc/70/11/46/781701146.db2.gz BKBSWWWGENIKGX-RYUDHWBXSA-N 2 0 280.372 -1.218 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408428 781785096 /nfs/dbraw/zinc/78/50/96/781785096.db2.gz TUQUAUOFARMKGR-GFCCVEGCSA-N 2 0 280.372 -1.122 20 30 CAEDRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185385265 781785583 /nfs/dbraw/zinc/78/55/83/781785583.db2.gz NQKJLLCLRLYFGV-LLVKDONJSA-N 2 0 281.360 -1.232 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818391 781830574 /nfs/dbraw/zinc/83/05/74/781830574.db2.gz OKIMHOWRFCMFIW-QWHCGFSZSA-N 2 0 292.383 -1.122 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127644088 884058490 /nfs/dbraw/zinc/05/84/90/884058490.db2.gz UILPGHFCQQCZEJ-VXGBXAGGSA-N 2 0 280.372 -1.218 20 30 CAEDRP C#CCOC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977968 884079243 /nfs/dbraw/zinc/07/92/43/884079243.db2.gz YODUAOGOQZUCRG-GRYCIOLGSA-N 2 0 260.309 -1.351 20 30 CAEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001321875100 884522417 /nfs/dbraw/zinc/52/24/17/884522417.db2.gz FECQGRHFDHNMQX-RYUDHWBXSA-N 2 0 280.372 -1.076 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001326848111 884841341 /nfs/dbraw/zinc/84/13/41/884841341.db2.gz YKYDRACQFGKXCR-BBBLOLIVSA-N 2 0 265.317 -1.918 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001346028457 885980303 /nfs/dbraw/zinc/98/03/03/885980303.db2.gz IBTWANJXFSFHIZ-GXSJLCMTSA-N 2 0 252.318 -1.017 20 30 CAEDRP CC#CC[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001346287289 885997412 /nfs/dbraw/zinc/99/74/12/885997412.db2.gz KHGNZEQLRYLJOE-KBPBESRZSA-N 2 0 269.389 -1.041 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001357151659 886396853 /nfs/dbraw/zinc/39/68/53/886396853.db2.gz YUVNQIZZHBMIFW-GMTAPVOTSA-N 2 0 264.329 -1.017 20 30 CAEDRP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001313439443 884150426 /nfs/dbraw/zinc/15/04/26/884150426.db2.gz LQVPEHCGRAKDCX-LBPRGKRZSA-N 2 0 268.361 -1.083 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317083220 884171905 /nfs/dbraw/zinc/17/19/05/884171905.db2.gz AYXJOITYIDRABO-IJLUTSLNSA-N 2 0 293.371 -1.043 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001317293411 884184899 /nfs/dbraw/zinc/18/48/99/884184899.db2.gz FZFAYGFMTZHSNT-NSHDSACASA-N 2 0 280.372 -1.089 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317296611 884189809 /nfs/dbraw/zinc/18/98/09/884189809.db2.gz BDDWMKXGDKDKAZ-NWDGAFQWSA-N 2 0 293.371 -1.089 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001317654497 884231911 /nfs/dbraw/zinc/23/19/11/884231911.db2.gz MBQRPEOVAMXTCH-UHFFFAOYSA-N 2 0 292.383 -1.120 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(N)=O)CC1 ZINC001317669771 884236577 /nfs/dbraw/zinc/23/65/77/884236577.db2.gz LBAIGSAKSXQUSN-UHFFFAOYSA-N 2 0 280.372 -1.135 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320206460 884389456 /nfs/dbraw/zinc/38/94/56/884389456.db2.gz YTHDTCGDAUYONA-RYUDHWBXSA-N 2 0 298.387 -1.551 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320206461 884392294 /nfs/dbraw/zinc/39/22/94/884392294.db2.gz YTHDTCGDAUYONA-VXGBXAGGSA-N 2 0 298.387 -1.551 20 30 CAEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001326783673 884831640 /nfs/dbraw/zinc/83/16/40/884831640.db2.gz JPYRQBSUOBYNCF-SNVBAGLBSA-N 2 0 267.333 -1.444 20 30 CAEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001327131340 884862695 /nfs/dbraw/zinc/86/26/95/884862695.db2.gz PGULBWJRJBHSQK-LLVKDONJSA-N 2 0 281.360 -1.054 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCO)CC1 ZINC001332604760 885426662 /nfs/dbraw/zinc/42/66/62/885426662.db2.gz CTRNTGPZEAJSIK-CQSZACIVSA-N 2 0 297.399 -1.267 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCO)CC1 ZINC001332604759 885427182 /nfs/dbraw/zinc/42/71/82/885427182.db2.gz CTRNTGPZEAJSIK-AWEZNQCLSA-N 2 0 297.399 -1.267 20 30 CAEDRP C#CCNC(=O)CC[NH2+]CCN1CC[NH+](C)CC1 ZINC001335382760 885616683 /nfs/dbraw/zinc/61/66/83/885616683.db2.gz APCBFMDOPKRCGM-UHFFFAOYSA-N 2 0 252.362 -1.037 20 30 CAEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001340076016 885792324 /nfs/dbraw/zinc/79/23/24/885792324.db2.gz SHTXPYSCAKTVMS-LBPRGKRZSA-N 2 0 280.372 -1.087 20 30 CAEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001341642210 885849208 /nfs/dbraw/zinc/84/92/08/885849208.db2.gz HZDWZTDIDONVCB-WRWGMCAJSA-N 2 0 263.345 -1.398 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001343466175 885917494 /nfs/dbraw/zinc/91/74/94/885917494.db2.gz FHRGMJZXKNTJCU-SCVCMEIPSA-N 2 0 252.318 -1.281 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343466174 885918586 /nfs/dbraw/zinc/91/85/86/885918586.db2.gz FHRGMJZXKNTJCU-JFGNBEQYSA-N 2 0 252.318 -1.281 20 30 CAEDRP C#CC[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345943649 885973492 /nfs/dbraw/zinc/97/34/92/885973492.db2.gz KVFGFBIVQVNSOA-OLZOCXBDSA-N 2 0 255.362 -1.432 20 30 CAEDRP C#CC[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345943652 885976665 /nfs/dbraw/zinc/97/66/65/885976665.db2.gz KVFGFBIVQVNSOA-STQMWFEESA-N 2 0 255.362 -1.432 20 30 CAEDRP CC#CC[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001346287296 885995670 /nfs/dbraw/zinc/99/56/70/885995670.db2.gz KHGNZEQLRYLJOE-ZIAGYGMSSA-N 2 0 269.389 -1.041 20 30 CAEDRP C#CC[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001353580686 886283966 /nfs/dbraw/zinc/28/39/66/886283966.db2.gz CDAOLNRRTZEORM-LBPRGKRZSA-N 2 0 252.362 -1.039 20 30 CAEDRP C#CC[NH2+]CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001353949526 886293810 /nfs/dbraw/zinc/29/38/10/886293810.db2.gz USDOBVKZJOQNCD-NWDGAFQWSA-N 2 0 261.329 -1.104 20 30 CAEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1CO ZINC001358025756 886417899 /nfs/dbraw/zinc/41/78/99/886417899.db2.gz BOTKJCSRTXKORV-GFCCVEGCSA-N 2 0 251.330 -1.218 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001357993995 886418703 /nfs/dbraw/zinc/41/87/03/886418703.db2.gz UKJJWMDJNNACAP-TUAOUCFPSA-N 2 0 292.339 -1.397 20 30 CAEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480237079 892507713 /nfs/dbraw/zinc/50/77/13/892507713.db2.gz LNRDCRLWJXNGIM-UTUOFQBUSA-N 2 0 293.371 -1.185 20 30 CAEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785652 892702188 /nfs/dbraw/zinc/70/21/88/892702188.db2.gz LTHXPEZWHWBQRU-CYBMUJFWSA-N 2 0 295.383 -1.201 20 30 CAEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785654 892702969 /nfs/dbraw/zinc/70/29/69/892702969.db2.gz LTHXPEZWHWBQRU-ZDUSSCGKSA-N 2 0 295.383 -1.201 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O)CC1 ZINC001482799881 892709053 /nfs/dbraw/zinc/70/90/53/892709053.db2.gz SJZTYIWOJIZASJ-JSGCOSHPSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)CC1 ZINC001482799872 892709419 /nfs/dbraw/zinc/70/94/19/892709419.db2.gz SJZTYIWOJIZASJ-GXTWGEPZSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255250 892748004 /nfs/dbraw/zinc/74/80/04/892748004.db2.gz GXDXXCXEYBSISB-NWDGAFQWSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001486065788 893007831 /nfs/dbraw/zinc/00/78/31/893007831.db2.gz KIACUVDLWDIQRV-ZDUSSCGKSA-N 2 0 283.372 -1.609 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001496956172 893559500 /nfs/dbraw/zinc/55/95/00/893559500.db2.gz YEJKYEDQLRYTDT-NEPJUHHUSA-N 2 0 296.371 -2.103 20 30 CAEDRP C#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001496978339 893566050 /nfs/dbraw/zinc/56/60/50/893566050.db2.gz AUAZJUUWUNEZSU-LBPRGKRZSA-N 2 0 293.371 -1.242 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497114429 893604043 /nfs/dbraw/zinc/60/40/43/893604043.db2.gz QOLZSWLYOJGBCA-RYUDHWBXSA-N 2 0 298.387 -1.693 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497114428 893604855 /nfs/dbraw/zinc/60/48/55/893604855.db2.gz QOLZSWLYOJGBCA-NWDGAFQWSA-N 2 0 298.387 -1.693 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497114427 893605299 /nfs/dbraw/zinc/60/52/99/893605299.db2.gz QOLZSWLYOJGBCA-NEPJUHHUSA-N 2 0 298.387 -1.693 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963088 893646236 /nfs/dbraw/zinc/64/62/36/893646236.db2.gz PAKJYLICLBAYIB-GFCCVEGCSA-N 2 0 292.383 -1.074 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001499448585 893717139 /nfs/dbraw/zinc/71/71/39/893717139.db2.gz MUGCWZSUDOAFLI-NSHDSACASA-N 2 0 293.371 -1.184 20 30 CAEDRP C#CC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001507252870 894028202 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ZINC000491351069 332195243 /nfs/dbraw/zinc/19/52/43/332195243.db2.gz RGRIKYBAWJCXRL-KBPBESRZSA-N 2 0 295.383 -1.561 20 30 CAEDRP C#CCOCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819231034 582177194 /nfs/dbraw/zinc/17/71/94/582177194.db2.gz PINNLNOPRWDLRD-CYBMUJFWSA-N 2 0 255.362 -1.166 20 30 CAEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]C1 ZINC000834494490 582210587 /nfs/dbraw/zinc/21/05/87/582210587.db2.gz NKVDBYYSGHENMX-NHCYSSNCSA-N 2 0 252.318 -1.160 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000834507017 582210738 /nfs/dbraw/zinc/21/07/38/582210738.db2.gz XEAVTKPDTJKAHE-GMTAPVOTSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000834507020 582210889 /nfs/dbraw/zinc/21/08/89/582210889.db2.gz XEAVTKPDTJKAHE-VWYCJHECSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846678962 582223022 /nfs/dbraw/zinc/22/30/22/582223022.db2.gz YFQNCJCDURUISU-GMOBBJLQSA-N 2 0 250.302 -1.550 20 30 CAEDRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852794298 582230609 /nfs/dbraw/zinc/23/06/09/582230609.db2.gz OHDMTVXSKIHCNB-UHFFFAOYSA-N 2 0 292.383 -1.120 20 30 CAEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C[NH2+]CCO1 ZINC000876801284 582263142 /nfs/dbraw/zinc/26/31/42/582263142.db2.gz AIYJJPLGHUBQJX-NHCYSSNCSA-N 2 0 268.317 -1.781 20 30 CAEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C[NH2+]CCO1 ZINC000876801285 582263171 /nfs/dbraw/zinc/26/31/71/582263171.db2.gz AIYJJPLGHUBQJX-SCVCMEIPSA-N 2 0 268.317 -1.781 20 30 CAEDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801677 582263239 /nfs/dbraw/zinc/26/32/39/582263239.db2.gz HJSWEOPZRUKACC-GMOBBJLQSA-N 2 0 252.318 -1.019 20 30 CAEDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801678 582263243 /nfs/dbraw/zinc/26/32/43/582263243.db2.gz HJSWEOPZRUKACC-GUDRVLHUSA-N 2 0 252.318 -1.019 20 30 CAEDRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001133285661 776773601 /nfs/dbraw/zinc/77/36/01/776773601.db2.gz CCEVVQITRQRVQF-UHFFFAOYSA-N 2 0 281.360 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291752 776774141 /nfs/dbraw/zinc/77/41/41/776774141.db2.gz YGPLZUJHQMRIOU-UHFFFAOYSA-N 2 0 254.334 -1.607 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291292 776774394 /nfs/dbraw/zinc/77/43/94/776774394.db2.gz OEEFEJBDJPCSMZ-LLVKDONJSA-N 2 0 268.361 -1.218 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281687 776774777 /nfs/dbraw/zinc/77/47/77/776774777.db2.gz HTCMDOBSYUIKRE-UHFFFAOYSA-N 2 0 280.372 -1.217 20 30 CAEDRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001266927720 775184019 /nfs/dbraw/zinc/18/40/19/775184019.db2.gz LNQRWWKHOCVOSI-QWRGUYRKSA-N 2 0 281.360 -1.185 20 30 CAEDRP C#CCNC(=O)CN(C)CCNC(=O)Cn1ccnc1C ZINC001267230585 775217165 /nfs/dbraw/zinc/21/71/65/775217165.db2.gz UKRIRSYTFQCQLR-UHFFFAOYSA-N 2 0 291.355 -1.011 20 30 CAEDRP C#CCNC(=O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267698496 775286981 /nfs/dbraw/zinc/28/69/81/775286981.db2.gz AWQOEWJVOITZKN-ZDUSSCGKSA-N 2 0 292.383 -1.265 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001283830141 775300440 /nfs/dbraw/zinc/30/04/40/775300440.db2.gz ACILMOXQAOZTPI-GFCCVEGCSA-N 2 0 296.371 -2.116 20 30 CAEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001268337271 775407184 /nfs/dbraw/zinc/40/71/84/775407184.db2.gz ZGHWYTZZRTWMPJ-ZDUSSCGKSA-N 2 0 283.372 -1.201 20 30 CAEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711509 775470228 /nfs/dbraw/zinc/47/02/28/775470228.db2.gz JKHUVWRSIJJNLQ-NSHDSACASA-N 2 0 293.371 -1.184 20 30 CAEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001271133307 775574039 /nfs/dbraw/zinc/57/40/39/775574039.db2.gz YGDKVBZLLOQDJR-HIFRSBDPSA-N 2 0 295.383 -1.107 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121931261 775919988 /nfs/dbraw/zinc/91/99/88/775919988.db2.gz IQUJPICSWWJPIY-WGBDABJCSA-N 2 0 264.329 -1.160 20 30 CAEDRP C#CCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083725904 775950743 /nfs/dbraw/zinc/95/07/43/775950743.db2.gz SKOPIRFXKPYKFB-RDBSUJKOSA-N 2 0 295.383 -1.110 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474367 775985825 /nfs/dbraw/zinc/98/58/25/775985825.db2.gz LQLNHQWLWMFLDK-CYBMUJFWSA-N 2 0 292.383 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474369 775986718 /nfs/dbraw/zinc/98/67/18/775986718.db2.gz LQLNHQWLWMFLDK-ZDUSSCGKSA-N 2 0 292.383 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872982 776015545 /nfs/dbraw/zinc/01/55/45/776015545.db2.gz QHGPXJKGVGDDLV-NSHDSACASA-N 2 0 266.345 -1.464 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866539 776016023 /nfs/dbraw/zinc/01/60/23/776016023.db2.gz FLYJKCCOYSBJCN-NEPJUHHUSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053033 776443604 /nfs/dbraw/zinc/44/36/04/776443604.db2.gz QIICCZJUSITTPV-UTUOFQBUSA-N 2 0 251.330 -1.267 20 30 CAEDRP C#CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053032 776444009 /nfs/dbraw/zinc/44/40/09/776444009.db2.gz QIICCZJUSITTPV-TUAOUCFPSA-N 2 0 251.330 -1.267 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155790281 776508871 /nfs/dbraw/zinc/50/88/71/776508871.db2.gz IZELJNCMDPGQBV-LLVKDONJSA-N 2 0 281.360 -1.184 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435929 776620794 /nfs/dbraw/zinc/62/07/94/776620794.db2.gz JYAFTGCUQOSRAE-ZDUSSCGKSA-N 2 0 280.372 -1.218 20 30 CAEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130298208 776647867 /nfs/dbraw/zinc/64/78/67/776647867.db2.gz YFJVVGRDFRXQKV-NSHDSACASA-N 2 0 281.360 -1.184 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130298155 776648965 /nfs/dbraw/zinc/64/89/65/776648965.db2.gz XGNWLCNVHVLONA-GFCCVEGCSA-N 2 0 280.372 -1.074 20 30 CAEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130298207 776649291 /nfs/dbraw/zinc/64/92/91/776649291.db2.gz YFJVVGRDFRXQKV-LLVKDONJSA-N 2 0 281.360 -1.184 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805607 776676021 /nfs/dbraw/zinc/67/60/21/776676021.db2.gz COTHDHHDEBIUKZ-UHFFFAOYSA-N 2 0 293.371 -1.040 20 30 CAEDRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133294616 776776641 /nfs/dbraw/zinc/77/66/41/776776641.db2.gz NIZVPYLVXMFZGV-UHFFFAOYSA-N 2 0 255.322 -1.716 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846219 776789439 /nfs/dbraw/zinc/78/94/39/776789439.db2.gz WKMVBANVCCJAHD-LBPRGKRZSA-N 2 0 280.372 -1.217 20 30 CAEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133831068 776789620 /nfs/dbraw/zinc/78/96/20/776789620.db2.gz ISYWYLRSCOBPBV-NSHDSACASA-N 2 0 281.360 -1.184 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823510 776789776 /nfs/dbraw/zinc/78/97/76/776789776.db2.gz ICFUYRDFMJQQBA-LBPRGKRZSA-N 2 0 280.372 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863085 776790331 /nfs/dbraw/zinc/79/03/31/776790331.db2.gz JNZIIBKFBGLMFN-NEPJUHHUSA-N 2 0 280.372 -1.361 20 30 CAEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133831067 776790774 /nfs/dbraw/zinc/79/07/74/776790774.db2.gz ISYWYLRSCOBPBV-LLVKDONJSA-N 2 0 281.360 -1.184 20 30 CAEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133866532 776792949 /nfs/dbraw/zinc/79/29/49/776792949.db2.gz MPDLJQQNPVGDLA-GHMZBOCLSA-N 2 0 281.360 -1.470 20 30 CAEDRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001133982730 776798930 /nfs/dbraw/zinc/79/89/30/776798930.db2.gz JTBIZKSDNGOMDW-JTQLQIEISA-N 2 0 269.349 -1.328 20 30 CAEDRP C#CC[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001283814867 777921312 /nfs/dbraw/zinc/92/13/12/777921312.db2.gz IXZFRCYGSZPPFJ-LBPRGKRZSA-N 2 0 283.372 -1.203 20 30 CAEDRP C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118180557 779550341 /nfs/dbraw/zinc/55/03/41/779550341.db2.gz KNLZHAKHSGYUAD-ZIAGYGMSSA-N 2 0 269.389 -1.041 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001122009393 779655308 /nfs/dbraw/zinc/65/53/08/779655308.db2.gz NXTZZOJBNNITOJ-GFCCVEGCSA-N 2 0 252.362 -1.039 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001122009394 779655360 /nfs/dbraw/zinc/65/53/60/779655360.db2.gz NXTZZOJBNNITOJ-LBPRGKRZSA-N 2 0 252.362 -1.039 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124837395 779717710 /nfs/dbraw/zinc/71/77/10/779717710.db2.gz MRNZVGJMJDGNFK-JTQLQIEISA-N 2 0 267.333 -1.574 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124837399 779717724 /nfs/dbraw/zinc/71/77/24/779717724.db2.gz MRNZVGJMJDGNFK-SNVBAGLBSA-N 2 0 267.333 -1.574 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101518 779804083 /nfs/dbraw/zinc/80/40/83/779804083.db2.gz QNZWWXTZKKTFOC-GFCCVEGCSA-N 2 0 280.372 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097748 779805349 /nfs/dbraw/zinc/80/53/49/779805349.db2.gz REKUYYPWQYCXNO-UHFFFAOYSA-N 2 0 266.345 -1.463 20 30 CAEDRP CC1([NH3+])CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001157651271 779909141 /nfs/dbraw/zinc/90/91/41/779909141.db2.gz JUTXPVBJMYYRRL-SFYZADRCSA-N 2 0 277.346 -1.747 20 30 CAEDRP N#C[C@H]1CNCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157982305 779922100 /nfs/dbraw/zinc/92/21/00/779922100.db2.gz LQXTWBKGIZDURY-NWDGAFQWSA-N 2 0 280.376 -1.939 20 30 CAEDRP N#C[C@@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157981292 779922509 /nfs/dbraw/zinc/92/25/09/779922509.db2.gz ALINWGFQOHKXDO-NQBHXWOUSA-N 2 0 263.345 -1.491 20 30 CAEDRP N#C[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157982307 779922648 /nfs/dbraw/zinc/92/26/48/779922648.db2.gz LQXTWBKGIZDURY-RYUDHWBXSA-N 2 0 280.376 -1.939 20 30 CAEDRP N#CCCN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160483790 779962836 /nfs/dbraw/zinc/96/28/36/779962836.db2.gz XBKMJOQKSNUXHY-GFCCVEGCSA-N 2 0 277.372 -1.147 20 30 CAEDRP N#CCCN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160483791 779963065 /nfs/dbraw/zinc/96/30/65/779963065.db2.gz XBKMJOQKSNUXHY-LBPRGKRZSA-N 2 0 277.372 -1.147 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCN1 ZINC001160652539 779973661 /nfs/dbraw/zinc/97/36/61/779973661.db2.gz FXVUDPBFRYILKX-NEPJUHHUSA-N 2 0 280.376 -1.939 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160879165 779985417 /nfs/dbraw/zinc/98/54/17/779985417.db2.gz PFYMGQQPOTXUOQ-VHSXEESVSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1 ZINC001160877697 779985489 /nfs/dbraw/zinc/98/54/89/779985489.db2.gz AZGJIAXZLYIICA-NTZNESFSSA-N 2 0 264.329 -1.064 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCO1 ZINC001160878229 779985505 /nfs/dbraw/zinc/98/55/05/779985505.db2.gz HRKQEZRGRXIMPW-BFLSOPEQSA-N 2 0 250.302 -1.041 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160933923 779987668 /nfs/dbraw/zinc/98/76/68/779987668.db2.gz QREBVNAVXPAPBX-NWDGAFQWSA-N 2 0 281.360 -1.512 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160933883 779987876 /nfs/dbraw/zinc/98/78/76/779987876.db2.gz PQDJMKLJJRVPSI-IUCAKERBSA-N 2 0 258.347 -1.243 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160934016 779987894 /nfs/dbraw/zinc/98/78/94/779987894.db2.gz TXXHPPIUMOQUPT-NXEZZACHSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160934017 779988221 /nfs/dbraw/zinc/98/82/21/779988221.db2.gz TXXHPPIUMOQUPT-UWVGGRQHSA-N 2 0 250.302 -1.454 20 30 CAEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166707660 780092994 /nfs/dbraw/zinc/09/29/94/780092994.db2.gz HWKCULLXNIRZLI-RYUDHWBXSA-N 2 0 295.387 -1.080 20 30 CAEDRP N=C(c1nonc1N)N(O)C(=O)CNC1CC[NH2+]CC1 ZINC001218517010 780166765 /nfs/dbraw/zinc/16/67/65/780166765.db2.gz LNPWKDAINMPHRK-UHFFFAOYSA-N 2 0 283.292 -1.463 20 30 CAEDRP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])nc1C#N ZINC001218595141 780172998 /nfs/dbraw/zinc/17/29/98/780172998.db2.gz MDAHJJZXVVAPFR-LURJTMIESA-N 2 0 274.288 -1.193 20 30 CAEDRP N#Cc1nc(N)c(NC(=O)[C@H]([NH3+])CCC[NH3+])nc1C#N ZINC001218595143 780173418 /nfs/dbraw/zinc/17/34/18/780173418.db2.gz MDAHJJZXVVAPFR-ZCFIWIBFSA-N 2 0 274.288 -1.193 20 30 CAEDRP N#Cc1nc[nH]c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218595466 780173515 /nfs/dbraw/zinc/17/35/15/780173515.db2.gz NIXVUIWSNSQXQG-SECBINFHSA-N 2 0 277.332 -1.030 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1N ZINC001218659038 780179301 /nfs/dbraw/zinc/17/93/01/780179301.db2.gz CWYHEYGNGYONOA-ZETCQYMHSA-N 2 0 261.289 -1.632 20 30 CAEDRP N#Cc1n[nH]cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218654621 780180460 /nfs/dbraw/zinc/18/04/60/780180460.db2.gz CYJWARSQEALSPW-SECBINFHSA-N 2 0 277.332 -1.030 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001295 780287304 /nfs/dbraw/zinc/28/73/04/780287304.db2.gz OZTAOENBOGGYHL-NSHDSACASA-N 2 0 253.302 -1.252 20 30 CAEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712908 780252388 /nfs/dbraw/zinc/25/23/88/780252388.db2.gz ZNUXMDCFKWDYDR-YNEHKIRRSA-N 2 0 274.324 -1.123 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220036647 780296316 /nfs/dbraw/zinc/29/63/16/780296316.db2.gz RTWNRRZGGZQIER-BQBZGAKWSA-N 2 0 281.403 -1.407 20 30 CAEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220124581 780307452 /nfs/dbraw/zinc/30/74/52/780307452.db2.gz DBODZQZZSAQBOJ-LBPRGKRZSA-N 2 0 298.387 -1.028 20 30 CAEDRP C=C(C)C(=O)OCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220124580 780308179 /nfs/dbraw/zinc/30/81/79/780308179.db2.gz DBODZQZZSAQBOJ-GFCCVEGCSA-N 2 0 298.387 -1.028 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220499167 780353674 /nfs/dbraw/zinc/35/36/74/780353674.db2.gz TWQHBHPMPLSFEM-YUMQZZPRSA-N 2 0 274.346 -1.423 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220498484 780354354 /nfs/dbraw/zinc/35/43/54/780354354.db2.gz HCBQMBWMWPDUFP-GIPNMCIBSA-N 2 0 280.328 -1.243 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220498520 780354841 /nfs/dbraw/zinc/35/48/41/780354841.db2.gz HDVRGTPGMCBQJF-QWRGUYRKSA-N 2 0 297.359 -1.692 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220498761 780355341 /nfs/dbraw/zinc/35/53/41/780355341.db2.gz LCVSWCFLPIMZEU-NXEZZACHSA-N 2 0 268.317 -1.115 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220498685 780355639 /nfs/dbraw/zinc/35/56/39/780355639.db2.gz JVHDJYSHWKJBLW-DTWKUNHWSA-N 2 0 266.301 -1.633 20 30 CAEDRP N#C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220526908 780360650 /nfs/dbraw/zinc/36/06/50/780360650.db2.gz ARNJCKAPTGXKMJ-IUCAKERBSA-N 2 0 265.317 -1.646 20 30 CAEDRP N#C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220526907 780362003 /nfs/dbraw/zinc/36/20/03/780362003.db2.gz ARNJCKAPTGXKMJ-DTWKUNHWSA-N 2 0 265.317 -1.646 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889934 780394331 /nfs/dbraw/zinc/39/43/31/780394331.db2.gz QWXYJHAUWROACP-AEJSXWLSSA-N 2 0 291.373 -1.439 20 30 CAEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278193728 780513990 /nfs/dbraw/zinc/51/39/90/780513990.db2.gz CBCLUMIRWJULDH-OLZOCXBDSA-N 2 0 283.372 -1.345 20 30 CAEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001278193729 780514555 /nfs/dbraw/zinc/51/45/55/780514555.db2.gz CBCLUMIRWJULDH-QWHCGFSZSA-N 2 0 283.372 -1.345 20 30 CAEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278193727 780514951 /nfs/dbraw/zinc/51/49/51/780514951.db2.gz CBCLUMIRWJULDH-CHWSQXEVSA-N 2 0 283.372 -1.345 20 30 CAEDRP C#CCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017893 780539196 /nfs/dbraw/zinc/53/91/96/780539196.db2.gz DBEUZMJQQRRBBX-RYUDHWBXSA-N 2 0 271.361 -1.170 20 30 CAEDRP C#CCOC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053043 780542352 /nfs/dbraw/zinc/54/23/52/780542352.db2.gz HHFBVJXIHYZRNC-CQSZACIVSA-N 2 0 284.404 -1.919 20 30 CAEDRP C=CCOC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246056903 780542448 /nfs/dbraw/zinc/54/24/48/780542448.db2.gz QIAZTWQEEDAIRT-CQSZACIVSA-N 2 0 286.420 -1.366 20 30 CAEDRP C#CCOC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053042 780543078 /nfs/dbraw/zinc/54/30/78/780543078.db2.gz HHFBVJXIHYZRNC-AWEZNQCLSA-N 2 0 284.404 -1.919 20 30 CAEDRP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246322322 780552139 /nfs/dbraw/zinc/55/21/39/780552139.db2.gz GZQVIQMWZOMEEB-AEJSXWLSSA-N 2 0 254.334 -1.094 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265570277 780752178 /nfs/dbraw/zinc/75/21/78/780752178.db2.gz XGZHRDPFHBCIEN-RWMBFGLXSA-N 2 0 292.383 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265758524 780755312 /nfs/dbraw/zinc/75/53/12/780755312.db2.gz FNYWECVBAZOURO-VXGBXAGGSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001265758522 780755782 /nfs/dbraw/zinc/75/57/82/780755782.db2.gz FNYWECVBAZOURO-NWDGAFQWSA-N 2 0 280.372 -1.076 20 30 CAEDRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135508124 781370930 /nfs/dbraw/zinc/37/09/30/781370930.db2.gz GUWHMVCTMIHFBP-UHFFFAOYSA-N 2 0 269.349 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510624 781373602 /nfs/dbraw/zinc/37/36/02/781373602.db2.gz CMONVGKTGSCGDU-UHFFFAOYSA-N 2 0 268.361 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204942 781462195 /nfs/dbraw/zinc/46/21/95/781462195.db2.gz IXHLCVBTZOJCGS-UHFFFAOYSA-N 2 0 298.387 -1.590 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160879593 781480101 /nfs/dbraw/zinc/48/01/01/781480101.db2.gz RHJOZXQFPVGJDD-RYUDHWBXSA-N 2 0 281.360 -1.512 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160879583 781480937 /nfs/dbraw/zinc/48/09/37/781480937.db2.gz RHJOZXQFPVGJDD-NEPJUHHUSA-N 2 0 281.360 -1.512 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160879599 781481067 /nfs/dbraw/zinc/48/10/67/781481067.db2.gz RHJOZXQFPVGJDD-VXGBXAGGSA-N 2 0 281.360 -1.512 20 30 CAEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147842137 781523063 /nfs/dbraw/zinc/52/30/63/781523063.db2.gz OPYDLFYENQHKAI-UHFFFAOYSA-N 2 0 285.348 -2.090 20 30 CAEDRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147877005 781524390 /nfs/dbraw/zinc/52/43/90/781524390.db2.gz BUCBWBYEHXSIII-NSHDSACASA-N 2 0 281.360 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877357 781524484 /nfs/dbraw/zinc/52/44/84/781524484.db2.gz IIODDXALKZASHC-LBPRGKRZSA-N 2 0 280.372 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877356 781525204 /nfs/dbraw/zinc/52/52/04/781525204.db2.gz IIODDXALKZASHC-GFCCVEGCSA-N 2 0 280.372 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976901 781526648 /nfs/dbraw/zinc/52/66/48/781526648.db2.gz DPBXYCYHISWSOF-UHFFFAOYSA-N 2 0 278.356 -1.463 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000064 781527510 /nfs/dbraw/zinc/52/75/10/781527510.db2.gz JOVGNCOURSFLDK-LBPRGKRZSA-N 2 0 292.383 -1.074 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095662 781597262 /nfs/dbraw/zinc/59/72/62/781597262.db2.gz GTOZEWKZZQCCGG-UHFFFAOYSA-N 2 0 281.360 -1.182 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181651337 781697239 /nfs/dbraw/zinc/69/72/39/781697239.db2.gz BDDWMKXGDKDKAZ-VXGBXAGGSA-N 2 0 293.371 -1.089 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187818508 781831418 /nfs/dbraw/zinc/83/14/18/781831418.db2.gz QAYNWJYSXNKTPT-NWDGAFQWSA-N 2 0 293.371 -1.232 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818383 781831504 /nfs/dbraw/zinc/83/15/04/781831504.db2.gz OKIMHOWRFCMFIW-CHWSQXEVSA-N 2 0 292.383 -1.122 20 30 CAEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188368563 781837443 /nfs/dbraw/zinc/83/74/43/781837443.db2.gz ANIFHOWRWLXRLH-LLVKDONJSA-N 2 0 290.327 -1.287 20 30 CAEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001331684838 885307192 /nfs/dbraw/zinc/30/71/92/885307192.db2.gz QOOGNAYODMYALP-NWDGAFQWSA-N 2 0 269.345 -1.593 20 30 CAEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001331836128 885358161 /nfs/dbraw/zinc/35/81/61/885358161.db2.gz PAJBLDJOSUXXLE-CYBMUJFWSA-N 2 0 283.372 -1.201 20 30 CAEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1(O)C[NH2+]C1)C2 ZINC001340709350 885813327 /nfs/dbraw/zinc/81/33/27/885813327.db2.gz OEKUPKXIEJJKOU-YZRBJQDESA-N 2 0 264.329 -1.424 20 30 CAEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001356593879 886371227 /nfs/dbraw/zinc/37/12/27/886371227.db2.gz BELCYCYXJQXPIG-CQSZACIVSA-N 3 0 268.405 -1.251 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357151662 886394868 /nfs/dbraw/zinc/39/48/68/886394868.db2.gz YUVNQIZZHBMIFW-VWYCJHECSA-N 2 0 264.329 -1.017 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001317293407 884185443 /nfs/dbraw/zinc/18/54/43/884185443.db2.gz FZFAYGFMTZHSNT-LLVKDONJSA-N 2 0 280.372 -1.089 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281347 884187047 /nfs/dbraw/zinc/18/70/47/884187047.db2.gz CSSGRFNIFOUUBX-LBPRGKRZSA-N 2 0 292.383 -1.074 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317296612 884188229 /nfs/dbraw/zinc/18/82/29/884188229.db2.gz BDDWMKXGDKDKAZ-RYUDHWBXSA-N 2 0 293.371 -1.089 20 30 CAEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001321875340 884523520 /nfs/dbraw/zinc/52/35/20/884523520.db2.gz FVFHJFGDCVGENE-QWRGUYRKSA-N 2 0 266.345 -1.336 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001326848121 884841524 /nfs/dbraw/zinc/84/15/24/884841524.db2.gz YKYDRACQFGKXCR-OPRDCNLKSA-N 2 0 265.317 -1.918 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001326848131 884842574 /nfs/dbraw/zinc/84/25/74/884842574.db2.gz YKYDRACQFGKXCR-UTLUCORTSA-N 2 0 265.317 -1.918 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001326848119 884843533 /nfs/dbraw/zinc/84/35/33/884843533.db2.gz YKYDRACQFGKXCR-KXUCPTDWSA-N 2 0 265.317 -1.918 20 30 CAEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001332616946 885426205 /nfs/dbraw/zinc/42/62/05/885426205.db2.gz AZWCIQFHVDBPIM-OLZOCXBDSA-N 2 0 283.372 -1.299 20 30 CAEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001332616947 885425933 /nfs/dbraw/zinc/42/59/33/885425933.db2.gz AZWCIQFHVDBPIM-QWHCGFSZSA-N 2 0 283.372 -1.299 20 30 CAEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001332616948 885427641 /nfs/dbraw/zinc/42/76/41/885427641.db2.gz AZWCIQFHVDBPIM-STQMWFEESA-N 2 0 283.372 -1.299 20 30 CAEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001341642204 885848052 /nfs/dbraw/zinc/84/80/52/885848052.db2.gz HZDWZTDIDONVCB-DDHJBXDOSA-N 2 0 263.345 -1.398 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001343466171 885916675 /nfs/dbraw/zinc/91/66/75/885916675.db2.gz FHRGMJZXKNTJCU-CKYFFXLPSA-N 2 0 252.318 -1.281 20 30 CAEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001344080952 885932812 /nfs/dbraw/zinc/93/28/12/885932812.db2.gz GSKZDTAYMABKOX-RMQVTFPSSA-N 2 0 264.329 -1.425 20 30 CAEDRP CC#CC[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001346287291 885995627 /nfs/dbraw/zinc/99/56/27/885995627.db2.gz KHGNZEQLRYLJOE-KGLIPLIRSA-N 2 0 269.389 -1.041 20 30 CAEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001356593877 886371466 /nfs/dbraw/zinc/37/14/66/886371466.db2.gz BELCYCYXJQXPIG-AWEZNQCLSA-N 3 0 268.405 -1.251 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480171154 892503380 /nfs/dbraw/zinc/50/33/80/892503380.db2.gz LNRDCRLWJXNGIM-SRVKXCTJSA-N 2 0 293.371 -1.185 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)CC1 ZINC001482799882 892709847 /nfs/dbraw/zinc/70/98/47/892709847.db2.gz SJZTYIWOJIZASJ-OCCSQVGLSA-N 2 0 297.399 -1.221 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001486065787 893011391 /nfs/dbraw/zinc/01/13/91/893011391.db2.gz KIACUVDLWDIQRV-CYBMUJFWSA-N 2 0 283.372 -1.609 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490857557 893222103 /nfs/dbraw/zinc/22/21/03/893222103.db2.gz OKIMHOWRFCMFIW-OLZOCXBDSA-N 2 0 292.383 -1.122 20 30 CAEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498713 893400868 /nfs/dbraw/zinc/40/08/68/893400868.db2.gz DLTVZIJMTDKHLW-NSHDSACASA-N 2 0 281.360 -1.232 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001496956175 893557533 /nfs/dbraw/zinc/55/75/33/893557533.db2.gz YEJKYEDQLRYTDT-VXGBXAGGSA-N 2 0 296.371 -2.103 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001496954882 893558956 /nfs/dbraw/zinc/55/89/56/893558956.db2.gz KPFXPGPAYQEOLJ-WDEREUQCSA-N 2 0 297.359 -2.213 20 30 CAEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001496978338 893566397 /nfs/dbraw/zinc/56/63/97/893566397.db2.gz AUAZJUUWUNEZSU-GFCCVEGCSA-N 2 0 293.371 -1.242 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001497112612 893604748 /nfs/dbraw/zinc/60/47/48/893604748.db2.gz VBOMMBLVQUOEHK-LBPRGKRZSA-N 2 0 296.371 -2.102 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001497119190 893608354 /nfs/dbraw/zinc/60/83/54/893608354.db2.gz QVHGPOYCRKNINN-LBPRGKRZSA-N 2 0 296.371 -2.116 20 30 CAEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001502560200 893849938 /nfs/dbraw/zinc/84/99/38/893849938.db2.gz ORAQOHDNJGDVDY-UKRRQHHQSA-N 2 0 295.383 -1.107 20 30 CAEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001502560201 893850819 /nfs/dbraw/zinc/85/08/19/893850819.db2.gz ORAQOHDNJGDVDY-ZFWWWQNUSA-N 2 0 295.383 -1.107 20 30 CAEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001502560198 893852146 /nfs/dbraw/zinc/85/21/46/893852146.db2.gz ORAQOHDNJGDVDY-HIFRSBDPSA-N 2 0 295.383 -1.107 20 30 CAEDRP C[NH+](C)CC(=O)NCC#CCNC(=O)C[NH+](C)C ZINC000681536702 545615469 /nfs/dbraw/zinc/61/54/69/545615469.db2.gz HWAVYDJEVNUODV-UHFFFAOYSA-N 2 0 254.334 -1.655 20 30 CAEDRP O[C@@H]1CN(CC#CCN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000342141234 263398328 /nfs/dbraw/zinc/39/83/28/263398328.db2.gz ZVUNBFQAUJIKTK-FIQHERPVSA-N 2 0 256.302 -2.935 20 30 CAEDRP O[C@@H]1CN(CC#CCN2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000342141236 263398502 /nfs/dbraw/zinc/39/85/02/263398502.db2.gz ZVUNBFQAUJIKTK-KKOKHZNYSA-N 2 0 256.302 -2.935 20 30 CAEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826489 782059917 /nfs/dbraw/zinc/05/99/17/782059917.db2.gz ZOWDTNYVVVAGRF-CHWSQXEVSA-N 2 0 283.372 -1.251 20 30 CAEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000262509169 330018841 /nfs/dbraw/zinc/01/88/41/330018841.db2.gz CMHVLLJBVBDSCN-NSHDSACASA-N 2 0 255.366 -1.121 20 30 CAEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262757216 330029602 /nfs/dbraw/zinc/02/96/02/330029602.db2.gz DWYNQDWBETWDRK-WDEREUQCSA-N 2 0 255.366 -1.075 20 30 CAEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262757213 330029694 /nfs/dbraw/zinc/02/96/94/330029694.db2.gz DWYNQDWBETWDRK-GHMZBOCLSA-N 2 0 255.366 -1.075 20 30 CAEDRP C#CCN1CCN(C(=O)CN2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000491351070 332195144 /nfs/dbraw/zinc/19/51/44/332195144.db2.gz RGRIKYBAWJCXRL-KGLIPLIRSA-N 2 0 295.383 -1.561 20 30 CAEDRP C#CCOCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000841875171 582114774 /nfs/dbraw/zinc/11/47/74/582114774.db2.gz MDVLWDFRFIWAPD-NSHDSACASA-N 2 0 254.334 -1.080 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000834484605 582210343 /nfs/dbraw/zinc/21/03/43/582210343.db2.gz KVXGUNUYZUKCMR-MXWKQRLJSA-N 2 0 279.344 -1.528 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000834484606 582210355 /nfs/dbraw/zinc/21/03/55/582210355.db2.gz KVXGUNUYZUKCMR-OUAUKWLOSA-N 2 0 279.344 -1.528 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834484527 582210365 /nfs/dbraw/zinc/21/03/65/582210365.db2.gz KBOLENCDJMVLLN-OIBJUYFYSA-N 2 0 260.301 -1.103 20 30 CAEDRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843460071 582214441 /nfs/dbraw/zinc/21/44/41/582214441.db2.gz LJOBPBYJAMYKDP-QXEWZRGKSA-N 2 0 267.333 -1.686 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843459650 582214454 /nfs/dbraw/zinc/21/44/54/582214454.db2.gz FZUFKEOTQUSQAN-VWYCJHECSA-N 2 0 252.318 -1.017 20 30 CAEDRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195051 582216281 /nfs/dbraw/zinc/21/62/81/582216281.db2.gz PLHMVHYKHMERMP-IJLUTSLNSA-N 2 0 293.371 -1.376 20 30 CAEDRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000844195050 582216290 /nfs/dbraw/zinc/21/62/90/582216290.db2.gz PLHMVHYKHMERMP-GRYCIOLGSA-N 2 0 293.371 -1.376 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846678966 582222967 /nfs/dbraw/zinc/22/29/67/582222967.db2.gz YFQNCJCDURUISU-WDCWCFNPSA-N 2 0 250.302 -1.550 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846678963 582223032 /nfs/dbraw/zinc/22/30/32/582223032.db2.gz YFQNCJCDURUISU-GUDRVLHUSA-N 2 0 250.302 -1.550 20 30 CAEDRP O=C(C#CC1CC[NH2+]CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000852795717 582230569 /nfs/dbraw/zinc/23/05/69/582230569.db2.gz ZYAYUGSLJNBWSE-UHFFFAOYSA-N 2 0 278.356 -1.463 20 30 CAEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C[NH2+]CCO1 ZINC000876801286 582263097 /nfs/dbraw/zinc/26/30/97/582263097.db2.gz AIYJJPLGHUBQJX-UMNHJUIQSA-N 2 0 268.317 -1.781 20 30 CAEDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801679 582263275 /nfs/dbraw/zinc/26/32/75/582263275.db2.gz HJSWEOPZRUKACC-KLBPJQLPSA-N 2 0 252.318 -1.019 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000911728734 656252763 /nfs/dbraw/zinc/25/27/63/656252763.db2.gz ZWFKJOQWRRKPRJ-LLVKDONJSA-N 2 0 266.345 -1.477 20 30 CAEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303774319 656982760 /nfs/dbraw/zinc/98/27/60/656982760.db2.gz FVEIRVYPUIBYOA-JTQLQIEISA-N 2 0 291.421 -1.076 20 30 CAEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(C)(=O)=O ZINC000303774329 656983441 /nfs/dbraw/zinc/98/34/41/656983441.db2.gz FVEIRVYPUIBYOA-SNVBAGLBSA-N 2 0 291.421 -1.076 20 30 CAEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1C(=O)CNC1=O ZINC000304763137 656988961 /nfs/dbraw/zinc/98/89/61/656988961.db2.gz WLOCDRHAOHLUND-JTQLQIEISA-N 2 0 296.375 -1.073 20 30 CAEDRP C[NH+](C)CC#CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001256585356 780625082 /nfs/dbraw/zinc/62/50/82/780625082.db2.gz QFUDOHOHYPDUPE-CYBMUJFWSA-N 2 0 268.361 -1.083 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)CC1 ZINC001278203282 780516151 /nfs/dbraw/zinc/51/61/51/780516151.db2.gz ZZRWHNJZUMZWAS-TZMCWYRMSA-N 2 0 297.399 -1.221 20 30 CAEDRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001266927721 775184155 /nfs/dbraw/zinc/18/41/55/775184155.db2.gz LNQRWWKHOCVOSI-WDEREUQCSA-N 2 0 281.360 -1.185 20 30 CAEDRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267230639 775217548 /nfs/dbraw/zinc/21/75/48/775217548.db2.gz WWNMYBFSLIXIMW-NSHDSACASA-N 2 0 281.360 -1.374 20 30 CAEDRP C#CCNC(=O)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267698491 775288084 /nfs/dbraw/zinc/28/80/84/775288084.db2.gz AWQOEWJVOITZKN-CYBMUJFWSA-N 2 0 292.383 -1.265 20 30 CAEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001268337270 775406259 /nfs/dbraw/zinc/40/62/59/775406259.db2.gz ZGHWYTZZRTWMPJ-CYBMUJFWSA-N 2 0 283.372 -1.201 20 30 CAEDRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC#N ZINC001270595520 775538728 /nfs/dbraw/zinc/53/87/28/775538728.db2.gz OLEVOWQKVDCKCD-NWDGAFQWSA-N 2 0 295.387 -1.080 20 30 CAEDRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC#N ZINC001270595521 775538994 /nfs/dbraw/zinc/53/89/94/775538994.db2.gz OLEVOWQKVDCKCD-RYUDHWBXSA-N 2 0 295.387 -1.080 20 30 CAEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001271133309 775573969 /nfs/dbraw/zinc/57/39/69/775573969.db2.gz YGDKVBZLLOQDJR-ZFWWWQNUSA-N 2 0 295.383 -1.107 20 30 CAEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001272513607 775925994 /nfs/dbraw/zinc/92/59/94/775925994.db2.gz QCFHWKWHAFDIRQ-LBPRGKRZSA-N 2 0 271.361 -1.345 20 30 CAEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001272513604 775926946 /nfs/dbraw/zinc/92/69/46/775926946.db2.gz QCFHWKWHAFDIRQ-GFCCVEGCSA-N 2 0 271.361 -1.345 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474245 775986840 /nfs/dbraw/zinc/98/68/40/775986840.db2.gz KUSIATWPWJEJAA-LBPRGKRZSA-N 2 0 293.371 -1.326 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866540 776016609 /nfs/dbraw/zinc/01/66/09/776016609.db2.gz FLYJKCCOYSBJCN-NWDGAFQWSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351944 776539064 /nfs/dbraw/zinc/53/90/64/776539064.db2.gz RTKRCCLHOVLLLA-UHFFFAOYSA-N 2 0 280.372 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532305 776621359 /nfs/dbraw/zinc/62/13/59/776621359.db2.gz YKSNAAXGOMVDIC-UHFFFAOYSA-N 2 0 280.372 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197195 776643960 /nfs/dbraw/zinc/64/39/60/776643960.db2.gz FCRZLJAUGNDIHS-LLVKDONJSA-N 2 0 268.361 -1.218 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130298156 776648400 /nfs/dbraw/zinc/64/84/00/776648400.db2.gz XGNWLCNVHVLONA-LBPRGKRZSA-N 2 0 280.372 -1.074 20 30 CAEDRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133040420 776757724 /nfs/dbraw/zinc/75/77/24/776757724.db2.gz QFRCQPQGQVDGFM-UHFFFAOYSA-N 2 0 269.349 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040604 776757949 /nfs/dbraw/zinc/75/79/49/776757949.db2.gz YWDFZDCAGNUDAJ-UHFFFAOYSA-N 2 0 268.361 -1.217 20 30 CAEDRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133853230 776789684 /nfs/dbraw/zinc/78/96/84/776789684.db2.gz GFDPNXOILCDMEQ-LLVKDONJSA-N 2 0 281.360 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863086 776790373 /nfs/dbraw/zinc/79/03/73/776790373.db2.gz JNZIIBKFBGLMFN-NWDGAFQWSA-N 2 0 280.372 -1.361 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863088 776790499 /nfs/dbraw/zinc/79/04/99/776790499.db2.gz JNZIIBKFBGLMFN-VXGBXAGGSA-N 2 0 280.372 -1.361 20 30 CAEDRP C#CC[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001283814866 777921394 /nfs/dbraw/zinc/92/13/94/777921394.db2.gz IXZFRCYGSZPPFJ-GFCCVEGCSA-N 2 0 283.372 -1.203 20 30 CAEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470124 777945667 /nfs/dbraw/zinc/94/56/67/777945667.db2.gz UGZBPDOBFPNKAN-KGLIPLIRSA-N 2 0 297.399 -1.003 20 30 CAEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470125 777946093 /nfs/dbraw/zinc/94/60/93/777946093.db2.gz UGZBPDOBFPNKAN-UONOGXRCSA-N 2 0 297.399 -1.003 20 30 CAEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284470123 777946148 /nfs/dbraw/zinc/94/61/48/777946148.db2.gz UGZBPDOBFPNKAN-KBPBESRZSA-N 2 0 297.399 -1.003 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118204331 779554041 /nfs/dbraw/zinc/55/40/41/779554041.db2.gz JETUEBLNKVDVPL-ZJUUUORDSA-N 2 0 277.332 -1.142 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001121924237 779652626 /nfs/dbraw/zinc/65/26/26/779652626.db2.gz YLKVRYCZQLLHEU-CQSZACIVSA-N 2 0 294.399 -1.268 20 30 CAEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151044647 779802337 /nfs/dbraw/zinc/80/23/37/779802337.db2.gz WPIAXLUBQBCKDZ-NSHDSACASA-N 2 0 268.361 -1.054 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001151049696 779803442 /nfs/dbraw/zinc/80/34/42/779803442.db2.gz WKNRXFUAUGMTQW-JTQLQIEISA-N 2 0 267.333 -1.716 20 30 CAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151115439 779804425 /nfs/dbraw/zinc/80/44/25/779804425.db2.gz XHNLQJHWEGLIHU-UHFFFAOYSA-N 2 0 267.333 -1.572 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101519 779804447 /nfs/dbraw/zinc/80/44/47/779804447.db2.gz QNZWWXTZKKTFOC-LBPRGKRZSA-N 2 0 280.372 -1.074 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001152324349 779822287 /nfs/dbraw/zinc/82/22/87/779822287.db2.gz ROCQBFMCIYZYJM-NSHDSACASA-N 2 0 280.372 -1.089 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC)CC1 ZINC001152330453 779822341 /nfs/dbraw/zinc/82/23/41/779822341.db2.gz NKZSEXOWOULBEJ-UHFFFAOYSA-N 2 0 280.372 -1.217 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001152334551 779823120 /nfs/dbraw/zinc/82/31/20/779823120.db2.gz GZKYMJHVEOCUAC-ZDUSSCGKSA-N 2 0 292.383 -1.074 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538079 779907791 /nfs/dbraw/zinc/90/77/91/779907791.db2.gz GZAROGXKYQXLMS-HXFLIBJXSA-N 2 0 295.336 -1.799 20 30 CAEDRP N#C[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157981303 779921991 /nfs/dbraw/zinc/92/19/91/779921991.db2.gz ASIUXMMLLDLONM-BDAKNGLRSA-N 2 0 257.363 -1.670 20 30 CAEDRP N#C[C@H]1CNCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157981296 779922064 /nfs/dbraw/zinc/92/20/64/779922064.db2.gz ALINWGFQOHKXDO-NTZNESFSSA-N 2 0 263.345 -1.491 20 30 CAEDRP N#C[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157982308 779922183 /nfs/dbraw/zinc/92/21/83/779922183.db2.gz LQXTWBKGIZDURY-VXGBXAGGSA-N 2 0 280.376 -1.939 20 30 CAEDRP N#C[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157983210 779924145 /nfs/dbraw/zinc/92/41/45/779924145.db2.gz YSWGEJYRAUAHAF-MNOVXSKESA-N 2 0 251.334 -1.363 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160933882 779987949 /nfs/dbraw/zinc/98/79/49/779987949.db2.gz PQDJMKLJJRVPSI-BDAKNGLRSA-N 2 0 258.347 -1.243 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC001160515697 779964347 /nfs/dbraw/zinc/96/43/47/779964347.db2.gz SOUANGWTXSKVLR-ZJUUUORDSA-N 2 0 291.373 -1.357 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCN1 ZINC001160651782 779973974 /nfs/dbraw/zinc/97/39/74/779973974.db2.gz YMICOKHXADUKJQ-NQBHXWOUSA-N 2 0 263.345 -1.491 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN1 ZINC001160652370 779974377 /nfs/dbraw/zinc/97/43/77/779974377.db2.gz CCNCXVGQOPRCHD-GHMZBOCLSA-N 2 0 251.334 -1.363 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1 ZINC001160877696 779985369 /nfs/dbraw/zinc/98/53/69/779985369.db2.gz AZGJIAXZLYIICA-NQBHXWOUSA-N 2 0 264.329 -1.064 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001160877746 779985391 /nfs/dbraw/zinc/98/53/91/779985391.db2.gz BTOCOMFJNHCKHJ-BDAKNGLRSA-N 2 0 258.347 -1.243 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781249 780088451 /nfs/dbraw/zinc/08/84/51/780088451.db2.gz MTWCVYJSOAMVCD-UHFFFAOYSA-N 2 0 268.361 -1.217 20 30 CAEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166707662 780092687 /nfs/dbraw/zinc/09/26/87/780092687.db2.gz HWKCULLXNIRZLI-VXGBXAGGSA-N 2 0 295.387 -1.080 20 30 CAEDRP N#Cc1nc(N)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1C#N ZINC001218596299 780174700 /nfs/dbraw/zinc/17/47/00/780174700.db2.gz XSQJYLQYMGDIGL-SSDOTTSWSA-N 2 0 298.310 -1.450 20 30 CAEDRP N#Cc1n[nH]cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218654622 780179558 /nfs/dbraw/zinc/17/95/58/780179558.db2.gz CYJWARSQEALSPW-VIFPVBQESA-N 2 0 277.332 -1.030 20 30 CAEDRP Cn1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C#N)n1 ZINC001218668586 780179887 /nfs/dbraw/zinc/17/98/87/780179887.db2.gz KMDPEMWBZAMCOE-JTQLQIEISA-N 2 0 291.359 -1.019 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1N ZINC001218658889 780180453 /nfs/dbraw/zinc/18/04/53/780180453.db2.gz BHKBLBAKZSTBMB-MRVPVSSYSA-N 2 0 263.305 -1.114 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCC[NH3+])C1 ZINC001219870706 780271567 /nfs/dbraw/zinc/27/15/67/780271567.db2.gz QOXGSBNPEJEJFT-RQJHMYQMSA-N 2 0 251.308 -2.232 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220036760 780295885 /nfs/dbraw/zinc/29/58/85/780295885.db2.gz VEEPGGZMIKOEGF-IUCAKERBSA-N 2 0 275.374 -1.099 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748757 780256408 /nfs/dbraw/zinc/25/64/08/780256408.db2.gz ASGHUYDDTUBYST-LBPRGKRZSA-N 2 0 262.317 -1.262 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838678 780265526 /nfs/dbraw/zinc/26/55/26/780265526.db2.gz SYLRRLZHMKTZCE-UBHSHLNASA-N 2 0 281.356 -1.152 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838677 780266188 /nfs/dbraw/zinc/26/61/88/780266188.db2.gz SYLRRLZHMKTZCE-KWCYVHTRSA-N 2 0 281.356 -1.152 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838676 780266568 /nfs/dbraw/zinc/26/65/68/780266568.db2.gz SYLRRLZHMKTZCE-FPMFFAJLSA-N 2 0 281.356 -1.152 20 30 CAEDRP C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220043124 780295871 /nfs/dbraw/zinc/29/58/71/780295871.db2.gz GAROADJVAYGKGA-LLVKDONJSA-N 2 0 280.372 -1.006 20 30 CAEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220043125 780296335 /nfs/dbraw/zinc/29/63/35/780296335.db2.gz GAROADJVAYGKGA-NSHDSACASA-N 2 0 280.372 -1.006 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220498518 780355181 /nfs/dbraw/zinc/35/51/81/780355181.db2.gz HDVRGTPGMCBQJF-MNOVXSKESA-N 2 0 297.359 -1.692 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220498511 780355350 /nfs/dbraw/zinc/35/53/50/780355350.db2.gz HDVRGTPGMCBQJF-GHMZBOCLSA-N 2 0 297.359 -1.692 20 30 CAEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527949 780360706 /nfs/dbraw/zinc/36/07/06/780360706.db2.gz UJQUSLWMQALXOO-VHSXEESVSA-N 2 0 269.349 -1.024 20 30 CAEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527943 780361189 /nfs/dbraw/zinc/36/11/89/780361189.db2.gz UINFYSCMRFJNML-IUCAKERBSA-N 2 0 255.322 -1.461 20 30 CAEDRP N#C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220526909 780362051 /nfs/dbraw/zinc/36/20/51/780362051.db2.gz ARNJCKAPTGXKMJ-RKDXNWHRSA-N 2 0 265.317 -1.646 20 30 CAEDRP N#C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(N)=O ZINC001220526906 780361983 /nfs/dbraw/zinc/36/19/83/780361983.db2.gz ARNJCKAPTGXKMJ-BDAKNGLRSA-N 2 0 265.317 -1.646 20 30 CAEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768712 780380953 /nfs/dbraw/zinc/38/09/53/780380953.db2.gz ZOWDTNYVVVAGRF-OLZOCXBDSA-N 2 0 283.372 -1.251 20 30 CAEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220868736 780389618 /nfs/dbraw/zinc/38/96/18/780389618.db2.gz REPHHQHRQKNQIF-SRVKXCTJSA-N 2 0 298.387 -1.423 20 30 CAEDRP N#CC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001220967286 780400290 /nfs/dbraw/zinc/40/02/90/780400290.db2.gz ZBZBAZMKFKKHEZ-LBPRGKRZSA-N 2 0 295.387 -1.074 20 30 CAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCCC[NH3+])C1 ZINC001221348064 780417409 /nfs/dbraw/zinc/41/74/09/780417409.db2.gz SVEAXWGFXKPNAX-BDAKNGLRSA-N 2 0 279.362 -1.452 20 30 CAEDRP C=CC[NH2+]CCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310100 780496697 /nfs/dbraw/zinc/49/66/97/780496697.db2.gz USSOPMIEJQBKDM-UHFFFAOYSA-N 3 0 271.409 -1.122 20 30 CAEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001278193730 780514065 /nfs/dbraw/zinc/51/40/65/780514065.db2.gz CBCLUMIRWJULDH-STQMWFEESA-N 2 0 283.372 -1.345 20 30 CAEDRP N#C[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1 ZINC001246823371 780562965 /nfs/dbraw/zinc/56/29/65/780562965.db2.gz VDRPPBCJMKOICW-KBPBESRZSA-N 2 0 280.420 -1.285 20 30 CAEDRP N#C[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1 ZINC001246927273 780563883 /nfs/dbraw/zinc/56/38/83/780563883.db2.gz XXRZHMGEJONEFM-QWHCGFSZSA-N 2 0 296.419 -1.254 20 30 CAEDRP N#C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CCN1 ZINC001246927274 780565007 /nfs/dbraw/zinc/56/50/07/780565007.db2.gz XXRZHMGEJONEFM-STQMWFEESA-N 2 0 296.419 -1.254 20 30 CAEDRP N#CCNC(=O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001254345974 780603365 /nfs/dbraw/zinc/60/33/65/780603365.db2.gz DXOKNGUCOPQCAN-UHFFFAOYSA-N 2 0 296.371 -1.215 20 30 CAEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001278833631 780611131 /nfs/dbraw/zinc/61/11/31/780611131.db2.gz VAWJKMWXGZJKDD-UONOGXRCSA-N 2 0 297.399 -1.003 20 30 CAEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001278833632 780611654 /nfs/dbraw/zinc/61/16/54/780611654.db2.gz VAWJKMWXGZJKDD-ZIAGYGMSSA-N 2 0 297.399 -1.003 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001261462636 780665173 /nfs/dbraw/zinc/66/51/73/780665173.db2.gz YAGDCQSAGWLHPX-DTWKUNHWSA-N 2 0 263.305 -1.532 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001261462635 780665348 /nfs/dbraw/zinc/66/53/48/780665348.db2.gz YAGDCQSAGWLHPX-BDAKNGLRSA-N 2 0 263.305 -1.532 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001265448337 780749775 /nfs/dbraw/zinc/74/97/75/780749775.db2.gz SNOGOTZNEWCSIX-NSHDSACASA-N 2 0 289.339 -1.108 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265507848 780752557 /nfs/dbraw/zinc/75/25/57/780752557.db2.gz XGZHRDPFHBCIEN-JHJVBQTASA-N 2 0 292.383 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265758521 780755869 /nfs/dbraw/zinc/75/58/69/780755869.db2.gz FNYWECVBAZOURO-NEPJUHHUSA-N 2 0 280.372 -1.076 20 30 CAEDRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265928723 780764397 /nfs/dbraw/zinc/76/43/97/780764397.db2.gz NQKJLLCLRLYFGV-NSHDSACASA-N 2 0 281.360 -1.232 20 30 CAEDRP C#CCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010754 781397596 /nfs/dbraw/zinc/39/75/96/781397596.db2.gz ZVSSCEISDSFMGX-MNOVXSKESA-N 2 0 257.334 -1.430 20 30 CAEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171198241 781458479 /nfs/dbraw/zinc/45/84/79/781458479.db2.gz NWWVHKUWYZUUQL-UHFFFAOYSA-N 2 0 299.375 -1.700 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160879590 781479660 /nfs/dbraw/zinc/47/96/60/781479660.db2.gz RHJOZXQFPVGJDD-NWDGAFQWSA-N 2 0 281.360 -1.512 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841834 781523112 /nfs/dbraw/zinc/52/31/12/781523112.db2.gz JZWUAYNGSAJJSW-UHFFFAOYSA-N 2 0 284.360 -1.980 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893735 781525126 /nfs/dbraw/zinc/52/51/26/781525126.db2.gz RXIBWNGLEHHSLW-GFCCVEGCSA-N 2 0 298.387 -1.592 20 30 CAEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148638997 781539198 /nfs/dbraw/zinc/53/91/98/781539198.db2.gz WWSYBQKWGAOTIA-UHFFFAOYSA-N 2 0 269.349 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176057537 781597710 /nfs/dbraw/zinc/59/77/10/781597710.db2.gz PUPZZNMIYNQOQR-LBPRGKRZSA-N 2 0 280.372 -1.217 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001176926476 781609916 /nfs/dbraw/zinc/60/99/16/781609916.db2.gz NYKVFYDXHCWEQV-UHFFFAOYSA-N 2 0 280.372 -1.087 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064429 781701849 /nfs/dbraw/zinc/70/18/49/781701849.db2.gz BKBSWWWGENIKGX-VXGBXAGGSA-N 2 0 280.372 -1.218 20 30 CAEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187818509 781831234 /nfs/dbraw/zinc/83/12/34/781831234.db2.gz QAYNWJYSXNKTPT-VXGBXAGGSA-N 2 0 293.371 -1.232 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188368602 781837911 /nfs/dbraw/zinc/83/79/11/781837911.db2.gz DHXLSSAPPUOTRQ-GFCCVEGCSA-N 2 0 289.339 -1.177 20 30 CAEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001341665026 885854348 /nfs/dbraw/zinc/85/43/48/885854348.db2.gz ZXDJGKSRYCGGFL-WDMOLILDSA-N 2 0 279.340 -1.052 20 30 CAEDRP CC#CC[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001346287293 885997435 /nfs/dbraw/zinc/99/74/35/885997435.db2.gz KHGNZEQLRYLJOE-UONOGXRCSA-N 2 0 269.389 -1.041 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001317281344 884185379 /nfs/dbraw/zinc/18/53/79/884185379.db2.gz CSSGRFNIFOUUBX-GFCCVEGCSA-N 2 0 292.383 -1.074 20 30 CAEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320206459 884388902 /nfs/dbraw/zinc/38/89/02/884388902.db2.gz YTHDTCGDAUYONA-NWDGAFQWSA-N 2 0 298.387 -1.551 20 30 CAEDRP C=CC[NH+]1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC001326794297 884832245 /nfs/dbraw/zinc/83/22/45/884832245.db2.gz ZKMJGRITEVSIIY-UHFFFAOYSA-N 2 0 254.334 -1.172 20 30 CAEDRP N#CCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001326783666 884832305 /nfs/dbraw/zinc/83/23/05/884832305.db2.gz JPYRQBSUOBYNCF-JTQLQIEISA-N 2 0 267.333 -1.444 20 30 CAEDRP COC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]CC1 ZINC001330596310 885209311 /nfs/dbraw/zinc/20/93/11/885209311.db2.gz RNMYIKYFMSNJEA-NXEZZACHSA-N 2 0 252.318 -1.017 20 30 CAEDRP COC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]CC1 ZINC001330596313 885209525 /nfs/dbraw/zinc/20/95/25/885209525.db2.gz RNMYIKYFMSNJEA-ZJUUUORDSA-N 2 0 252.318 -1.017 20 30 CAEDRP COC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]CC1 ZINC001330596311 885211678 /nfs/dbraw/zinc/21/16/78/885211678.db2.gz RNMYIKYFMSNJEA-UWVGGRQHSA-N 2 0 252.318 -1.017 20 30 CAEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001331684841 885309496 /nfs/dbraw/zinc/30/94/96/885309496.db2.gz QOOGNAYODMYALP-VXGBXAGGSA-N 2 0 269.345 -1.593 20 30 CAEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001331836129 885355074 /nfs/dbraw/zinc/35/50/74/885355074.db2.gz PAJBLDJOSUXXLE-ZDUSSCGKSA-N 2 0 283.372 -1.201 20 30 CAEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001332616945 885426386 /nfs/dbraw/zinc/42/63/86/885426386.db2.gz AZWCIQFHVDBPIM-CHWSQXEVSA-N 2 0 283.372 -1.299 20 30 CAEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001340076014 885791440 /nfs/dbraw/zinc/79/14/40/885791440.db2.gz SHTXPYSCAKTVMS-GFCCVEGCSA-N 2 0 280.372 -1.087 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001342203354 885876570 /nfs/dbraw/zinc/87/65/70/885876570.db2.gz HZGDRNRUSBLAID-UHFFFAOYSA-N 2 0 293.371 -1.621 20 30 CAEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001344080949 885932466 /nfs/dbraw/zinc/93/24/66/885932466.db2.gz GSKZDTAYMABKOX-JNGXGDJUSA-N 2 0 264.329 -1.425 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001346028465 885981341 /nfs/dbraw/zinc/98/13/41/885981341.db2.gz IBTWANJXFSFHIZ-ONGXEEELSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC001346028460 885982140 /nfs/dbraw/zinc/98/21/40/885982140.db2.gz IBTWANJXFSFHIZ-KOLCDFICSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001357151661 886398350 /nfs/dbraw/zinc/39/83/50/886398350.db2.gz YUVNQIZZHBMIFW-OUAUKWLOSA-N 2 0 264.329 -1.017 20 30 CAEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1CO ZINC001358025757 886418558 /nfs/dbraw/zinc/41/85/58/886418558.db2.gz BOTKJCSRTXKORV-LBPRGKRZSA-N 2 0 251.330 -1.218 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480237078 892509220 /nfs/dbraw/zinc/50/92/20/892509220.db2.gz LNRDCRLWJXNGIM-SDDRHHMPSA-N 2 0 293.371 -1.185 20 30 CAEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001484501523 892873569 /nfs/dbraw/zinc/87/35/69/892873569.db2.gz YPBNKKFCSMSHLG-AWEZNQCLSA-N 2 0 297.399 -1.002 20 30 CAEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC001493764770 893415852 /nfs/dbraw/zinc/41/58/52/893415852.db2.gz WYKCRYWQLPUKBK-UHFFFAOYSA-N 2 0 293.371 -1.230 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001496956174 893555309 /nfs/dbraw/zinc/55/53/09/893555309.db2.gz YEJKYEDQLRYTDT-RYUDHWBXSA-N 2 0 296.371 -2.103 20 30 CAEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001496954877 893557228 /nfs/dbraw/zinc/55/72/28/893557228.db2.gz KPFXPGPAYQEOLJ-GHMZBOCLSA-N 2 0 297.359 -2.213 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001496956173 893558416 /nfs/dbraw/zinc/55/84/16/893558416.db2.gz YEJKYEDQLRYTDT-NWDGAFQWSA-N 2 0 296.371 -2.103 20 30 CAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001497112611 893604451 /nfs/dbraw/zinc/60/44/51/893604451.db2.gz VBOMMBLVQUOEHK-GFCCVEGCSA-N 2 0 296.371 -2.102 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001497119189 893608553 /nfs/dbraw/zinc/60/85/53/893608553.db2.gz QVHGPOYCRKNINN-GFCCVEGCSA-N 2 0 296.371 -2.116 20 30 CAEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001498190855 893663483 /nfs/dbraw/zinc/66/34/83/893663483.db2.gz UWRKIEMDRRASLU-NSHDSACASA-N 2 0 281.360 -1.184 20 30 CAEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001499448584 893717077 /nfs/dbraw/zinc/71/70/77/893717077.db2.gz MUGCWZSUDOAFLI-LLVKDONJSA-N 2 0 293.371 -1.184 20 30 CAEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001502560196 893852246 /nfs/dbraw/zinc/85/22/46/893852246.db2.gz ORAQOHDNJGDVDY-DZGCQCFKSA-N 2 0 295.383 -1.107 20 30 CAEDRP C#CC[NH2+][C@H](CO)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001507196343 893987164 /nfs/dbraw/zinc/98/71/64/893987164.db2.gz PGSBTNITQSDRBX-LBPRGKRZSA-N 2 0 293.371 -1.242 20 30 CAEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001507234068 894012120 /nfs/dbraw/zinc/01/21/20/894012120.db2.gz YOGPQUMBGIATMT-LBPRGKRZSA-N 2 0 271.361 -1.345 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524028992 894273309 /nfs/dbraw/zinc/27/33/09/894273309.db2.gz HMMZGUPFPNXITB-RYUDHWBXSA-N 2 0 252.362 -1.040 20 30 CAEDRP CN(CC#CCN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000567366461 373955432 /nfs/dbraw/zinc/95/54/32/373955432.db2.gz WOZRMXZQAGZPPT-AAVRWANBSA-N 2 0 284.356 -1.627 20 30 CAEDRP C[NH+](CC#CC[N@H+](C)CCC(N)=O)CCC(N)=O ZINC000353193916 263055759 /nfs/dbraw/zinc/05/57/59/263055759.db2.gz CKHNHLLMXCVBPL-UHFFFAOYSA-N 2 0 254.334 -1.396 20 30 CAEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000262298788 330004888 /nfs/dbraw/zinc/00/48/88/330004888.db2.gz NEHPYQLYAHCCHG-AWEZNQCLSA-N 2 0 299.419 -1.450 20 30 CAEDRP C[NH+]=C(NCCOC)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262754893 330029526 /nfs/dbraw/zinc/02/95/26/330029526.db2.gz HKNSTDCXLOROSS-LLVKDONJSA-N 2 0 255.366 -1.202 20 30 CAEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262757214 330029588 /nfs/dbraw/zinc/02/95/88/330029588.db2.gz DWYNQDWBETWDRK-MNOVXSKESA-N 2 0 255.366 -1.075 20 30 CAEDRP C#CCN1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000491705166 332298192 /nfs/dbraw/zinc/29/81/92/332298192.db2.gz IQADDCANIIJTJS-GXTWGEPZSA-N 2 0 292.383 -1.122 20 30 CAEDRP C#CCOCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819231035 582177233 /nfs/dbraw/zinc/17/72/33/582177233.db2.gz PINNLNOPRWDLRD-ZDUSSCGKSA-N 2 0 255.362 -1.166 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834484526 582210320 /nfs/dbraw/zinc/21/03/20/582210320.db2.gz KBOLENCDJMVLLN-GMSGAONNSA-N 2 0 260.301 -1.103 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000834484529 582210349 /nfs/dbraw/zinc/21/03/49/582210349.db2.gz KBOLENCDJMVLLN-XVKPBYJWSA-N 2 0 260.301 -1.103 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000834484607 582210650 /nfs/dbraw/zinc/21/06/50/582210650.db2.gz KVXGUNUYZUKCMR-VWYCJHECSA-N 2 0 279.344 -1.528 20 30 CAEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]C1 ZINC000834494492 582210656 /nfs/dbraw/zinc/21/06/56/582210656.db2.gz NKVDBYYSGHENMX-UMNHJUIQSA-N 2 0 252.318 -1.160 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000834507018 582210894 /nfs/dbraw/zinc/21/08/94/582210894.db2.gz XEAVTKPDTJKAHE-MXWKQRLJSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843459649 582214433 /nfs/dbraw/zinc/21/44/33/582214433.db2.gz FZUFKEOTQUSQAN-OUAUKWLOSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843459648 582214475 /nfs/dbraw/zinc/21/44/75/582214475.db2.gz FZUFKEOTQUSQAN-MXWKQRLJSA-N 2 0 252.318 -1.017 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843459647 582214529 /nfs/dbraw/zinc/21/45/29/582214529.db2.gz FZUFKEOTQUSQAN-GMTAPVOTSA-N 2 0 252.318 -1.017 20 30 CAEDRP CC[NH+]1CCN(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195585 582216275 /nfs/dbraw/zinc/21/62/75/582216275.db2.gz XHLNVVQGWKAKAH-NEPJUHHUSA-N 2 0 265.361 -1.148 20 30 CAEDRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195593 582216325 /nfs/dbraw/zinc/21/63/25/582216325.db2.gz XHLNVVQGWKAKAH-NWDGAFQWSA-N 2 0 265.361 -1.148 20 30 CAEDRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195596 582216459 /nfs/dbraw/zinc/21/64/59/582216459.db2.gz XHLNVVQGWKAKAH-VXGBXAGGSA-N 2 0 265.361 -1.148 20 30 CAEDRP CC[NH+]1CCN(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195594 582216491 /nfs/dbraw/zinc/21/64/91/582216491.db2.gz XHLNVVQGWKAKAH-RYUDHWBXSA-N 2 0 265.361 -1.148 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846678965 582222988 /nfs/dbraw/zinc/22/29/88/582222988.db2.gz YFQNCJCDURUISU-KLBPJQLPSA-N 2 0 250.302 -1.550 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911702543 656252712 /nfs/dbraw/zinc/25/27/12/656252712.db2.gz NCKWYWGLZSPODV-ZDUSSCGKSA-N 2 0 292.383 -1.120 20 30 CAEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000911728735 656253019 /nfs/dbraw/zinc/25/30/19/656253019.db2.gz ZWFKJOQWRRKPRJ-NSHDSACASA-N 2 0 266.345 -1.477 20 30 CAEDRP O[C@H]1CN(CC#CCN2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000625713338 656703661 /nfs/dbraw/zinc/70/36/61/656703661.db2.gz ZVUNBFQAUJIKTK-BJDJZHNGSA-N 2 0 256.302 -2.935 20 30 CAEDRP C#CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001251877953 780578169 /nfs/dbraw/zinc/57/81/69/780578169.db2.gz VRUSKXZKQBBQMQ-ZDUSSCGKSA-N 2 0 255.362 -1.166 20 30 CAEDRP OC[C@@H]1C[C@H](O)CN1CC#CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC001257267913 780628332 /nfs/dbraw/zinc/62/83/32/780628332.db2.gz JHOSTDOZZKQVGN-XUXIUFHCSA-N 2 0 284.356 -2.155 20 30 CAEDRP CC(=O)N[C@@H](CS)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144417301 781454060 /nfs/dbraw/zinc/45/40/60/781454060.db2.gz OTINZVWRPWLWGJ-QMMMGPOBSA-N 2 0 275.378 -1.118 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266673765 775160522 /nfs/dbraw/zinc/16/05/22/775160522.db2.gz AYXJOITYIDRABO-TUAOUCFPSA-N 2 0 293.371 -1.043 20 30 CAEDRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001266927710 775184633 /nfs/dbraw/zinc/18/46/33/775184633.db2.gz LNQRWWKHOCVOSI-GHMZBOCLSA-N 2 0 281.360 -1.185 20 30 CAEDRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267230638 775217500 /nfs/dbraw/zinc/21/75/00/775217500.db2.gz WWNMYBFSLIXIMW-LLVKDONJSA-N 2 0 281.360 -1.374 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001283830148 775301260 /nfs/dbraw/zinc/30/12/60/775301260.db2.gz ACILMOXQAOZTPI-LBPRGKRZSA-N 2 0 296.371 -2.116 20 30 CAEDRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC#N ZINC001270595522 775537592 /nfs/dbraw/zinc/53/75/92/775537592.db2.gz OLEVOWQKVDCKCD-VXGBXAGGSA-N 2 0 295.387 -1.080 20 30 CAEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001121931259 775920367 /nfs/dbraw/zinc/92/03/67/775920367.db2.gz IQUJPICSWWJPIY-NOHGZBONSA-N 2 0 264.329 -1.160 20 30 CAEDRP C#CCN1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@@H](O)C1 ZINC001083725903 775950655 /nfs/dbraw/zinc/95/06/55/775950655.db2.gz SKOPIRFXKPYKFB-HZSPNIEDSA-N 2 0 295.383 -1.110 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866541 776015487 /nfs/dbraw/zinc/01/54/87/776015487.db2.gz FLYJKCCOYSBJCN-RYUDHWBXSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866542 776015638 /nfs/dbraw/zinc/01/56/38/776015638.db2.gz FLYJKCCOYSBJCN-VXGBXAGGSA-N 2 0 280.372 -1.076 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872980 776016311 /nfs/dbraw/zinc/01/63/11/776016311.db2.gz QHGPXJKGVGDDLV-LLVKDONJSA-N 2 0 266.345 -1.464 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001084087850 776448644 /nfs/dbraw/zinc/44/86/44/776448644.db2.gz DDUZBQLQVUFPBF-KGLIPLIRSA-N 2 0 295.383 -1.515 20 30 CAEDRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001129350686 776539427 /nfs/dbraw/zinc/53/94/27/776539427.db2.gz FCURAUHDZBVJBQ-UHFFFAOYSA-N 2 0 281.360 -1.184 20 30 CAEDRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001129526785 776621576 /nfs/dbraw/zinc/62/15/76/776621576.db2.gz SKVTWBKJGKHYPU-UHFFFAOYSA-N 2 0 281.360 -1.184 20 30 CAEDRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001129437033 776621600 /nfs/dbraw/zinc/62/16/00/776621600.db2.gz UXSBAZFPTDIXMG-GFCCVEGCSA-N 2 0 281.360 -1.328 20 30 CAEDRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001129437034 776621650 /nfs/dbraw/zinc/62/16/50/776621650.db2.gz UXSBAZFPTDIXMG-LBPRGKRZSA-N 2 0 281.360 -1.328 20 30 CAEDRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001130197505 776645360 /nfs/dbraw/zinc/64/53/60/776645360.db2.gz JTBIZKSDNGOMDW-SNVBAGLBSA-N 2 0 269.349 -1.328 20 30 CAEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001132992826 776756007 /nfs/dbraw/zinc/75/60/07/776756007.db2.gz GLXPJHAMLCNTPA-UHFFFAOYSA-N 2 0 281.360 -1.326 20 30 CAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294649 776775854 /nfs/dbraw/zinc/77/58/54/776775854.db2.gz OLSBNNMWIFGJGI-UHFFFAOYSA-N 2 0 299.375 -1.344 20 30 CAEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294406 776776189 /nfs/dbraw/zinc/77/61/89/776776189.db2.gz HNRRTKMGMNZCPD-UHFFFAOYSA-N 2 0 256.350 -1.054 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846218 776790233 /nfs/dbraw/zinc/79/02/33/776790233.db2.gz WKMVBANVCCJAHD-GFCCVEGCSA-N 2 0 280.372 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863087 776790892 /nfs/dbraw/zinc/79/08/92/776790892.db2.gz JNZIIBKFBGLMFN-RYUDHWBXSA-N 2 0 280.372 -1.361 20 30 CAEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284470126 777945099 /nfs/dbraw/zinc/94/50/99/777945099.db2.gz UGZBPDOBFPNKAN-ZIAGYGMSSA-N 2 0 297.399 -1.003 20 30 CAEDRP C#CCC[C@H](O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118180554 779550235 /nfs/dbraw/zinc/55/02/35/779550235.db2.gz KNLZHAKHSGYUAD-KBPBESRZSA-N 2 0 269.389 -1.041 20 30 CAEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC001118204328 779555010 /nfs/dbraw/zinc/55/50/10/779555010.db2.gz JETUEBLNKVDVPL-NXEZZACHSA-N 2 0 277.332 -1.142 20 30 CAEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001121924236 779653271 /nfs/dbraw/zinc/65/32/71/779653271.db2.gz YLKVRYCZQLLHEU-AWEZNQCLSA-N 2 0 294.399 -1.268 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001152334550 779822642 /nfs/dbraw/zinc/82/26/42/779822642.db2.gz GZKYMJHVEOCUAC-CYBMUJFWSA-N 2 0 292.383 -1.074 20 30 CAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001152324348 779822850 /nfs/dbraw/zinc/82/28/50/779822850.db2.gz ROCQBFMCIYZYJM-LLVKDONJSA-N 2 0 280.372 -1.089 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791593 779877217 /nfs/dbraw/zinc/87/72/17/779877217.db2.gz XMCJQOCFUIETTM-LBPRGKRZSA-N 2 0 280.372 -1.074 20 30 CAEDRP N#C[C@H]1CNCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157983212 779923785 /nfs/dbraw/zinc/92/37/85/779923785.db2.gz YSWGEJYRAUAHAF-WDEREUQCSA-N 2 0 251.334 -1.363 20 30 CAEDRP N#C[C@H]1CNCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157983211 779924070 /nfs/dbraw/zinc/92/40/70/779924070.db2.gz YSWGEJYRAUAHAF-QWRGUYRKSA-N 2 0 251.334 -1.363 20 30 CAEDRP C#C[C@](C)([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120582 779928285 /nfs/dbraw/zinc/92/82/85/779928285.db2.gz OFGDSPCERMMIFO-JSGCOSHPSA-N 2 0 276.340 -1.725 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCN1 ZINC001160652839 779973372 /nfs/dbraw/zinc/97/33/72/779973372.db2.gz NROVKQBYBQUACT-BDAKNGLRSA-N 2 0 257.363 -1.670 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCN1 ZINC001160652540 779974443 /nfs/dbraw/zinc/97/44/43/779974443.db2.gz FXVUDPBFRYILKX-VXGBXAGGSA-N 2 0 280.376 -1.939 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160879164 779984745 /nfs/dbraw/zinc/98/47/45/779984745.db2.gz PFYMGQQPOTXUOQ-UWVGGRQHSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160879163 779985173 /nfs/dbraw/zinc/98/51/73/779985173.db2.gz PFYMGQQPOTXUOQ-NXEZZACHSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160879167 779985480 /nfs/dbraw/zinc/98/54/80/779985480.db2.gz PFYMGQQPOTXUOQ-ZJUUUORDSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@H]1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCO1 ZINC001160878233 779985720 /nfs/dbraw/zinc/98/57/20/779985720.db2.gz HRKQEZRGRXIMPW-XNDJQWLSSA-N 2 0 250.302 -1.041 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160933335 779987357 /nfs/dbraw/zinc/98/73/57/779987357.db2.gz JIYJTVLZEKPIPI-NTZNESFSSA-N 2 0 264.329 -1.064 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160934019 779987736 /nfs/dbraw/zinc/98/77/36/779987736.db2.gz TXXHPPIUMOQUPT-ZJUUUORDSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160934018 779987871 /nfs/dbraw/zinc/98/78/71/779987871.db2.gz TXXHPPIUMOQUPT-VHSXEESVSA-N 2 0 250.302 -1.454 20 30 CAEDRP N#C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160933924 779988081 /nfs/dbraw/zinc/98/80/81/779988081.db2.gz QREBVNAVXPAPBX-RYUDHWBXSA-N 2 0 281.360 -1.512 20 30 CAEDRP N#C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160933922 779988166 /nfs/dbraw/zinc/98/81/66/779988166.db2.gz QREBVNAVXPAPBX-NEPJUHHUSA-N 2 0 281.360 -1.512 20 30 CAEDRP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)CC[NH2+]1 ZINC001161017349 779991514 /nfs/dbraw/zinc/99/15/14/779991514.db2.gz MBTVGYIKGAZCFR-BBBLOLIVSA-N 2 0 291.373 -1.487 20 30 CAEDRP N#Cc1nc[nH]c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218595489 780173843 /nfs/dbraw/zinc/17/38/43/780173843.db2.gz NIXVUIWSNSQXQG-VIFPVBQESA-N 2 0 277.332 -1.030 20 30 CAEDRP N#Cc1nc(N)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1C#N ZINC001218596302 780175631 /nfs/dbraw/zinc/17/56/31/780175631.db2.gz XSQJYLQYMGDIGL-ZETCQYMHSA-N 2 0 298.310 -1.450 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1N ZINC001218659031 780179282 /nfs/dbraw/zinc/17/92/82/780179282.db2.gz CWYHEYGNGYONOA-SSDOTTSWSA-N 2 0 261.289 -1.632 20 30 CAEDRP Cn1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C#N)n1 ZINC001218668587 780180292 /nfs/dbraw/zinc/18/02/92/780180292.db2.gz KMDPEMWBZAMCOE-SNVBAGLBSA-N 2 0 291.359 -1.019 20 30 CAEDRP N#Cc1c(N)nn(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1N ZINC001218658893 780180493 /nfs/dbraw/zinc/18/04/93/780180493.db2.gz BHKBLBAKZSTBMB-QMMMGPOBSA-N 2 0 263.305 -1.114 20 30 CAEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220036162 780296257 /nfs/dbraw/zinc/29/62/57/780296257.db2.gz KSWKYMBPIWNYTB-YUMQZZPRSA-N 2 0 273.358 -1.617 20 30 CAEDRP C=C[C@@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220392399 780344125 /nfs/dbraw/zinc/34/41/25/780344125.db2.gz DSKYFGQMMJOBGG-QWRGUYRKSA-N 2 0 256.350 -1.600 20 30 CAEDRP C=C[C@@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220392400 780345182 /nfs/dbraw/zinc/34/51/82/780345182.db2.gz DSKYFGQMMJOBGG-WDEREUQCSA-N 2 0 256.350 -1.600 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220499165 780353705 /nfs/dbraw/zinc/35/37/05/780353705.db2.gz TWQHBHPMPLSFEM-JGVFFNPUSA-N 2 0 274.346 -1.423 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220498686 780354223 /nfs/dbraw/zinc/35/42/23/780354223.db2.gz JVHDJYSHWKJBLW-IUCAKERBSA-N 2 0 266.301 -1.633 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220498684 780354856 /nfs/dbraw/zinc/35/48/56/780354856.db2.gz JVHDJYSHWKJBLW-BDAKNGLRSA-N 2 0 266.301 -1.633 20 30 CAEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220498767 780355498 /nfs/dbraw/zinc/35/54/98/780355498.db2.gz LCVSWCFLPIMZEU-VHSXEESVSA-N 2 0 268.317 -1.115 20 30 CAEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220498522 780355798 /nfs/dbraw/zinc/35/57/98/780355798.db2.gz HDVRGTPGMCBQJF-WDEREUQCSA-N 2 0 297.359 -1.692 20 30 CAEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527942 780360475 /nfs/dbraw/zinc/36/04/75/780360475.db2.gz UINFYSCMRFJNML-DTWKUNHWSA-N 2 0 255.322 -1.461 20 30 CAEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527948 780361742 /nfs/dbraw/zinc/36/17/42/780361742.db2.gz UJQUSLWMQALXOO-UWVGGRQHSA-N 2 0 269.349 -1.024 20 30 CAEDRP C#CC[C@H]([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827510 780383488 /nfs/dbraw/zinc/38/34/88/780383488.db2.gz QFMCZLZPJGRTHF-VIFPVBQESA-N 2 0 251.286 -1.126 20 30 CAEDRP N#CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001220967285 780401098 /nfs/dbraw/zinc/40/10/98/780401098.db2.gz ZBZBAZMKFKKHEZ-GFCCVEGCSA-N 2 0 295.387 -1.074 20 30 CAEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277245818 780449523 /nfs/dbraw/zinc/44/95/23/780449523.db2.gz MYZCXFZNPOABGF-GFCCVEGCSA-N 2 0 292.383 -1.074 20 30 CAEDRP C#CCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246017861 780539263 /nfs/dbraw/zinc/53/92/63/780539263.db2.gz DBEUZMJQQRRBBX-NEPJUHHUSA-N 2 0 271.361 -1.170 20 30 CAEDRP C=CCOC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246056891 780542762 /nfs/dbraw/zinc/54/27/62/780542762.db2.gz QIAZTWQEEDAIRT-AWEZNQCLSA-N 2 0 286.420 -1.366 20 30 CAEDRP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246322325 780552225 /nfs/dbraw/zinc/55/22/25/780552225.db2.gz GZQVIQMWZOMEEB-GUBZILKMSA-N 2 0 254.334 -1.094 20 30 CAEDRP N#C[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1 ZINC001246823419 780562766 /nfs/dbraw/zinc/56/27/66/780562766.db2.gz VDRPPBCJMKOICW-UONOGXRCSA-N 2 0 280.420 -1.285 20 30 CAEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001278833629 780610423 /nfs/dbraw/zinc/61/04/23/780610423.db2.gz VAWJKMWXGZJKDD-KBPBESRZSA-N 2 0 297.399 -1.003 20 30 CAEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001278833630 780611184 /nfs/dbraw/zinc/61/11/84/780611184.db2.gz VAWJKMWXGZJKDD-KGLIPLIRSA-N 2 0 297.399 -1.003 20 30 CAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265570278 780752304 /nfs/dbraw/zinc/75/23/04/780752304.db2.gz XGZHRDPFHBCIEN-UPJWGTAASA-N 2 0 292.383 -1.076 20 30 CAEDRP C#CCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246010755 781398234 /nfs/dbraw/zinc/39/82/34/781398234.db2.gz ZVSSCEISDSFMGX-QWRGUYRKSA-N 2 0 257.334 -1.430 20 30 CAEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146718841 781490866 /nfs/dbraw/zinc/49/08/66/781490866.db2.gz HPVKDTJRHMWWOX-UHFFFAOYSA-N 2 0 269.349 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146710234 781491244 /nfs/dbraw/zinc/49/12/44/781491244.db2.gz GVLHPVGPBUCUHY-UHFFFAOYSA-N 2 0 268.361 -1.217 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293043 781495388 /nfs/dbraw/zinc/49/53/88/781495388.db2.gz DNZMUOGAOZFZBE-UHFFFAOYSA-N 2 0 292.383 -1.073 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893736 781524609 /nfs/dbraw/zinc/52/46/09/781524609.db2.gz RXIBWNGLEHHSLW-LBPRGKRZSA-N 2 0 298.387 -1.592 20 30 CAEDRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147877004 781525327 /nfs/dbraw/zinc/52/53/27/781525327.db2.gz BUCBWBYEHXSIII-LLVKDONJSA-N 2 0 281.360 -1.326 20 30 CAEDRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001176071027 781597039 /nfs/dbraw/zinc/59/70/39/781597039.db2.gz BEIVFDORXIZDHE-NSHDSACASA-N 2 0 281.360 -1.326 20 30 CAEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049835 781696209 /nfs/dbraw/zinc/69/62/09/781696209.db2.gz ZUDSGVAGFWFQRK-LLVKDONJSA-N 2 0 266.345 -1.607 20 30 CAEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181651331 781697110 /nfs/dbraw/zinc/69/71/10/781697110.db2.gz BDDWMKXGDKDKAZ-NEPJUHHUSA-N 2 0 293.371 -1.089 20 30 CAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064427 781701032 /nfs/dbraw/zinc/70/10/32/781701032.db2.gz BKBSWWWGENIKGX-NWDGAFQWSA-N 2 0 280.372 -1.218 20 30 CAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064426 781701951 /nfs/dbraw/zinc/70/19/51/781701951.db2.gz BKBSWWWGENIKGX-NEPJUHHUSA-N 2 0 280.372 -1.218 20 30 CAEDRP