smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc([N+](=O)[O-])cnc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164398972 718832917 /nfs/dbraw/zinc/83/29/17/718832917.db2.gz NJFJQDHFVWEHKQ-LBPRGKRZSA-N 1 0 288.311 -0.045 20 30 CBEDRO Cc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc(C#N)n1 ZINC001164399453 718835214 /nfs/dbraw/zinc/83/52/14/718835214.db2.gz XEONSZOOIZSJSX-LLVKDONJSA-N 1 0 258.329 -0.250 20 30 CBEDRO N#Cc1ncc(N2CCN3CC[NH2+]C[C@H]3C2)nc1C#N ZINC001164408196 718840995 /nfs/dbraw/zinc/84/09/95/718840995.db2.gz YQQJLJQCNOPGEF-JTQLQIEISA-N 1 0 269.312 -0.686 20 30 CBEDRO C[N@@H+]1CCO[C@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@@H]21 ZINC001164666046 719454572 /nfs/dbraw/zinc/45/45/72/719454572.db2.gz ASEKAZMSBVHBHJ-RYUDHWBXSA-N 1 0 270.296 -0.261 20 30 CBEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001076397460 805572226 /nfs/dbraw/zinc/57/22/26/805572226.db2.gz OHHGJDAETIBDBF-NWDGAFQWSA-N 1 0 274.328 -0.771 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001076717580 805606787 /nfs/dbraw/zinc/60/67/87/805606787.db2.gz LCJHAMZFSSUSBM-IJLUTSLNSA-N 1 0 254.330 -0.097 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001076768773 805617004 /nfs/dbraw/zinc/61/70/04/805617004.db2.gz SLZJUXDUBFZRKR-YNEHKIRRSA-N 1 0 266.341 -0.260 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001076765994 805618266 /nfs/dbraw/zinc/61/82/66/805618266.db2.gz YGALKCGCLMNPHP-YNEHKIRRSA-N 1 0 276.340 -0.371 20 30 CBEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000153117245 790400458 /nfs/dbraw/zinc/40/04/58/790400458.db2.gz IVXDBDKPWZCZJR-NSHDSACASA-N 1 0 294.355 -0.259 20 30 CBEDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCC#N)[C@H](C)C1 ZINC000192815165 790426991 /nfs/dbraw/zinc/42/69/91/790426991.db2.gz MTOBYMQJMCSHMR-GHMZBOCLSA-N 1 0 254.334 -0.987 20 30 CBEDRO COCC[N@H+](C)CCNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336953021 790488216 /nfs/dbraw/zinc/48/82/16/790488216.db2.gz SDBKCFMQNICYEF-JTQLQIEISA-N 1 0 280.332 -0.595 20 30 CBEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC000379474025 790510726 /nfs/dbraw/zinc/51/07/26/790510726.db2.gz MPXNMXFESIEVIU-ZJUUUORDSA-N 1 0 255.318 -0.120 20 30 CBEDRO C#CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000383800907 790531508 /nfs/dbraw/zinc/53/15/08/790531508.db2.gz IVCFOQDIHYLMGC-UHFFFAOYSA-N 1 0 285.413 -0.433 20 30 CBEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000386836596 790549843 /nfs/dbraw/zinc/54/98/43/790549843.db2.gz QYTGCHGWWATZPZ-GHMZBOCLSA-N 1 0 275.374 -0.119 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001076868116 805640762 /nfs/dbraw/zinc/64/07/62/805640762.db2.gz YXHPKOCMSUJNTE-CHWSQXEVSA-N 1 0 278.356 -0.002 20 30 CBEDRO CO[C@@H]1CCOC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000724901185 790814071 /nfs/dbraw/zinc/81/40/71/790814071.db2.gz ZLDJXBMPQOJXAA-HBNTYKKESA-N 1 0 255.318 -0.072 20 30 CBEDRO C#CC1(O)CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000912966697 790915604 /nfs/dbraw/zinc/91/56/04/790915604.db2.gz GMCPVCCREJOLQJ-OAHLLOKOSA-N 1 0 280.368 -0.180 20 30 CBEDRO C#CCC1(O)CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000922183513 790920781 /nfs/dbraw/zinc/92/07/81/790920781.db2.gz STKXHTUVGIPKSY-UHFFFAOYSA-N 1 0 293.411 -0.143 20 30 CBEDRO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ncnn2)C1 ZINC001021588480 790943315 /nfs/dbraw/zinc/94/33/15/790943315.db2.gz RAZHKZHMVVFVPT-QWHCGFSZSA-N 1 0 288.355 -0.381 20 30 CBEDRO C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(N)=O)C1 ZINC001021662708 790946679 /nfs/dbraw/zinc/94/66/79/790946679.db2.gz XNNJPIDBRNFRHK-NEPJUHHUSA-N 1 0 263.341 -0.192 20 30 CBEDRO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)C(N)=O ZINC001021976617 790976177 /nfs/dbraw/zinc/97/61/77/790976177.db2.gz IHBCWRZGLAXIQH-UJNFCWOMSA-N 1 0 275.312 -0.389 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001022087074 790989234 /nfs/dbraw/zinc/98/92/34/790989234.db2.gz HJVXFFKTSGKNSA-AOOOYVTPSA-N 1 0 260.297 -0.031 20 30 CBEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022134325 790991093 /nfs/dbraw/zinc/99/10/93/790991093.db2.gz VAWSBQQEFRZPMJ-PHIMTYICSA-N 1 0 272.370 -0.156 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001022167667 790995672 /nfs/dbraw/zinc/99/56/72/790995672.db2.gz WFILVRKHIHGJEP-PHIMTYICSA-N 1 0 287.385 -0.555 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001022290517 791003475 /nfs/dbraw/zinc/00/34/75/791003475.db2.gz NOZWWVVWRHIYPG-AOOOYVTPSA-N 1 0 290.323 -0.023 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1 ZINC001022301016 791005240 /nfs/dbraw/zinc/00/52/40/791005240.db2.gz FSHGDJBCFMNRDJ-TXEJJXNPSA-N 1 0 259.309 -0.131 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001022305090 791004762 /nfs/dbraw/zinc/00/47/62/791004762.db2.gz COJINHARUBGEDE-GARJFASQSA-N 1 0 291.355 -0.031 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001076873939 805642843 /nfs/dbraw/zinc/64/28/43/805642843.db2.gz QAKUESNIWVNTKF-IJLUTSLNSA-N 1 0 281.356 -0.750 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001022401454 791013427 /nfs/dbraw/zinc/01/34/27/791013427.db2.gz VTVFMGKQMQDJGW-DTORHVGOSA-N 1 0 261.281 -0.138 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001022480370 791017441 /nfs/dbraw/zinc/01/74/41/791017441.db2.gz SDLHVXNOSPGTKN-GBIKHYSHSA-N 1 0 251.330 -0.065 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001022437006 791014636 /nfs/dbraw/zinc/01/46/36/791014636.db2.gz SVZURSBLAZJFMR-TXEJJXNPSA-N 1 0 299.396 -0.718 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001022561191 791027050 /nfs/dbraw/zinc/02/70/50/791027050.db2.gz ILLZUNJMXVCNQJ-AXFHLTTASA-N 1 0 251.330 -0.113 20 30 CBEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1F ZINC001022633577 791034705 /nfs/dbraw/zinc/03/47/05/791034705.db2.gz MLLZJISGKBDFKG-PHIMTYICSA-N 1 0 290.298 -0.081 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001076888470 805645679 /nfs/dbraw/zinc/64/56/79/805645679.db2.gz DJEDCZGOBXHRDK-UPJWGTAASA-N 1 0 266.341 -0.260 20 30 CBEDRO C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898293 805648018 /nfs/dbraw/zinc/64/80/18/805648018.db2.gz BYFPJGLRNZEZQN-GGZOMVNGSA-N 1 0 278.312 -0.958 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076902330 805649680 /nfs/dbraw/zinc/64/96/80/805649680.db2.gz SYNZJPOHWFIEFO-ZIAGYGMSSA-N 1 0 297.399 -0.554 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001076904904 805649729 /nfs/dbraw/zinc/64/97/29/805649729.db2.gz VGOILRYRWKQSKZ-QJPTWQEYSA-N 1 0 279.344 -0.424 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076902197 805650701 /nfs/dbraw/zinc/65/07/01/805650701.db2.gz LWAAHOXYRWNRCB-CHWSQXEVSA-N 1 0 283.372 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805672161 /nfs/dbraw/zinc/67/21/61/805672161.db2.gz VPKPSYOPTJCAKU-CHWSQXEVSA-N 1 0 294.399 -0.064 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001077122154 805686044 /nfs/dbraw/zinc/68/60/44/805686044.db2.gz BXVWJXWDUDCVFJ-YNEHKIRRSA-N 1 0 295.383 -0.360 20 30 CBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077129047 805687806 /nfs/dbraw/zinc/68/78/06/805687806.db2.gz QYYBSYGNLFXOBD-RRFJBIMHSA-N 1 0 293.411 -0.241 20 30 CBEDRO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001077129158 805688234 /nfs/dbraw/zinc/68/82/34/805688234.db2.gz WRRGXZWXHYQEIT-MGPQQGTHSA-N 1 0 294.399 -0.351 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077162457 805691311 /nfs/dbraw/zinc/69/13/11/805691311.db2.gz WTQCUDYPPQGBHE-VXGBXAGGSA-N 1 0 292.339 -0.869 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncs2)C1 ZINC001077178604 805694158 /nfs/dbraw/zinc/69/41/58/805694158.db2.gz ROTYEDREMUQTGN-VXGBXAGGSA-N 1 0 279.365 -0.130 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077183104 805696616 /nfs/dbraw/zinc/69/66/16/805696616.db2.gz VBXFYWIZYNSHQI-VXGBXAGGSA-N 1 0 292.339 -0.077 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199243 805697657 /nfs/dbraw/zinc/69/76/57/805697657.db2.gz DZXAVMIQNJMCNX-VXGBXAGGSA-N 1 0 292.339 -0.077 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001077224157 805701741 /nfs/dbraw/zinc/70/17/41/805701741.db2.gz ZUYGNURGTMJNDP-JMSVASOKSA-N 1 0 293.367 -0.913 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncn2C)C1 ZINC001077318910 805718626 /nfs/dbraw/zinc/71/86/26/805718626.db2.gz TUMVOXZPQFQJOH-ZYHUDNBSSA-N 1 0 264.329 -0.229 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 ZINC001077380344 805722767 /nfs/dbraw/zinc/72/27/67/805722767.db2.gz QBVZXJHGIJKKOQ-ZIAGYGMSSA-N 1 0 290.367 -0.544 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001077394936 805725787 /nfs/dbraw/zinc/72/57/87/805725787.db2.gz LDBFUFUSHMRYKO-CHWSQXEVSA-N 1 0 276.340 -0.624 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC001077427119 805727994 /nfs/dbraw/zinc/72/79/94/805727994.db2.gz SSZKCAQMONOGAB-CHWSQXEVSA-N 1 0 293.371 -0.422 20 30 CBEDRO C#CCCN1C[C@@H](O)[C@H](NC(=O)c2csnn2)C1 ZINC001077463491 805734020 /nfs/dbraw/zinc/73/40/20/805734020.db2.gz IHAVEHMOZIYPFY-PSASIEDQSA-N 1 0 266.326 -0.664 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2O)cc1 ZINC001077493925 805736221 /nfs/dbraw/zinc/73/62/21/805736221.db2.gz QGKMONJXHRXPQM-NILFDRSVSA-N 1 0 288.347 -0.176 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2O)cc1 ZINC001077493924 805737215 /nfs/dbraw/zinc/73/72/15/805737215.db2.gz QGKMONJXHRXPQM-KCPJHIHWSA-N 1 0 288.347 -0.176 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077512312 805738598 /nfs/dbraw/zinc/73/85/98/805738598.db2.gz ABFAXWLNSTYIHM-IJLUTSLNSA-N 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YNYUQLYOCMOMJJ-QWRGUYRKSA-N 1 0 292.339 -0.812 20 30 CBEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)CC1 ZINC001052507499 802203230 /nfs/dbraw/zinc/20/32/30/802203230.db2.gz VNCYGVJZOVNFFO-GFCCVEGCSA-N 1 0 293.371 -0.262 20 30 CBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001052755562 802216671 /nfs/dbraw/zinc/21/66/71/802216671.db2.gz WKKUGIFLTQPKNY-QWRGUYRKSA-N 1 0 292.339 -0.812 20 30 CBEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001052918601 802225368 /nfs/dbraw/zinc/22/53/68/802225368.db2.gz BCGMSRGLBWEKAH-LLVKDONJSA-N 1 0 294.355 -0.305 20 30 CBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001052945694 802225529 /nfs/dbraw/zinc/22/55/29/802225529.db2.gz MRMQQOGFSVTNSH-NWDGAFQWSA-N 1 0 299.396 -0.718 20 30 CBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CN(CC#N)C2)C1 ZINC001053188812 802237567 /nfs/dbraw/zinc/23/75/67/802237567.db2.gz JKXJVNWUXBYDMO-LBPRGKRZSA-N 1 0 278.356 -0.483 20 30 CBEDRO C[NH+](C)[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)C1CC1 ZINC001053287433 802248841 /nfs/dbraw/zinc/24/88/41/802248841.db2.gz YDBGLXVTQJXTER-ZDUSSCGKSA-N 1 0 292.383 -0.237 20 30 CBEDRO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOC2(CN(CC#N)C2)C1 ZINC001053428163 802258813 /nfs/dbraw/zinc/25/88/13/802258813.db2.gz KIBWXYMBLUWNLS-CYBMUJFWSA-N 1 0 292.383 -0.093 20 30 CBEDRO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(CN(CC#N)C3)O2)C1 ZINC001053698058 802275422 /nfs/dbraw/zinc/27/54/22/802275422.db2.gz CBCMRNAILQZVNF-OLZOCXBDSA-N 1 0 292.383 -0.189 20 30 CBEDRO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806830 802298342 /nfs/dbraw/zinc/29/83/42/802298342.db2.gz SFDLLRGVCXOSBK-MGPQQGTHSA-N 1 0 291.395 -0.081 20 30 CBEDRO C#CCN1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053983400 802319745 /nfs/dbraw/zinc/31/97/45/802319745.db2.gz XGABIXSPTOXDAC-UONOGXRCSA-N 1 0 291.395 -0.079 20 30 CBEDRO N#CCN1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054010194 802323516 /nfs/dbraw/zinc/32/35/16/802323516.db2.gz NKXHVAVHIWFIAN-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/35/75/87/802357587.db2.gz PYHBVFRYPGUCFG-JOYOIKCWSA-N 1 0 262.313 -0.071 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C ZINC001054651264 802363014 /nfs/dbraw/zinc/36/30/14/802363014.db2.gz NRBRIJHLPRGHRW-NEPJUHHUSA-N 1 0 291.355 -0.392 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1C ZINC001054919874 802378317 /nfs/dbraw/zinc/37/83/17/802378317.db2.gz LZTFAPAQRPXIPN-QWRGUYRKSA-N 1 0 274.324 -0.536 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1C ZINC001054928893 802378559 /nfs/dbraw/zinc/37/85/59/802378559.db2.gz BQTYGKRZRBADSJ-RYUDHWBXSA-N 1 0 293.371 -0.406 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@@H]1C ZINC001054965213 802380637 /nfs/dbraw/zinc/38/06/37/802380637.db2.gz FBZNOLHOGPQMQN-JQWIXIFHSA-N 1 0 284.323 -0.192 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1C ZINC001054974610 802382862 /nfs/dbraw/zinc/38/28/62/802382862.db2.gz WDDINCMQJHQEHX-VHSXEESVSA-N 1 0 262.313 -0.191 20 30 CBEDRO C=C(Br)C[NH2+][C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001055020496 802386717 /nfs/dbraw/zinc/38/67/17/802386717.db2.gz PLIDYYJGUBSULE-SVRRBLITSA-N 1 0 290.161 -0.183 20 30 CBEDRO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632484 802517028 /nfs/dbraw/zinc/51/70/28/802517028.db2.gz PZFPBBOLLUMTIK-ZDUSSCGKSA-N 1 0 297.399 -0.159 20 30 CBEDRO CC(C)C#CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707791 802561553 /nfs/dbraw/zinc/56/15/53/802561553.db2.gz OBKODROXEVQBDK-UHFFFAOYSA-N 1 0 297.399 -0.465 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC001118491448 812558001 /nfs/dbraw/zinc/55/80/01/812558001.db2.gz VXCGPZYPMPPYSA-SNVBAGLBSA-N 1 0 255.318 -0.888 20 30 CBEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134426 812475641 /nfs/dbraw/zinc/47/56/41/812475641.db2.gz SPBWHKGSAZORPJ-RYUDHWBXSA-N 1 0 268.361 -0.156 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001117980472 812461229 /nfs/dbraw/zinc/46/12/29/812461229.db2.gz IUDUEAPNNUGABW-QJPTWQEYSA-N 1 0 279.340 -0.767 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC001117985203 812461510 /nfs/dbraw/zinc/46/15/10/812461510.db2.gz FJPFXGVKOHGGMI-VXGBXAGGSA-N 1 0 281.356 -0.357 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH2+]CC)C1 ZINC001118048213 812465195 /nfs/dbraw/zinc/46/51/95/812465195.db2.gz KXOGJSPHHXPWGI-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H](COC)OC)C2)C1 ZINC001148250493 814936103 /nfs/dbraw/zinc/93/61/03/814936103.db2.gz YCZULHWWVSTDMI-LBPRGKRZSA-N 1 0 266.341 -0.185 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)CCn3cnnn3)C2)C1 ZINC001121954540 813096524 /nfs/dbraw/zinc/09/65/24/813096524.db2.gz UTIGNDBOMKJWGA-UHFFFAOYSA-N 1 0 288.355 -0.287 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1nnn(C(C)(C)C)n1 ZINC001122132666 813121641 /nfs/dbraw/zinc/12/16/41/813121641.db2.gz WHOFIMYDNCDBHX-UHFFFAOYSA-N 1 0 250.306 -0.733 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(C)=O ZINC001122367103 813155066 /nfs/dbraw/zinc/15/50/66/813155066.db2.gz IEYVZLUEZUMBSS-MRVPVSSYSA-N 1 0 256.306 -0.888 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCOC)C1=O ZINC001122400621 813160079 /nfs/dbraw/zinc/16/00/79/813160079.db2.gz WMKGIDIFHSCEIU-LLVKDONJSA-N 1 0 269.345 -0.484 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccncc1 ZINC001122605536 813180816 /nfs/dbraw/zinc/18/08/16/813180816.db2.gz URPBVOHLGIFXFQ-LLVKDONJSA-N 1 0 274.324 -0.461 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001122615490 813181003 /nfs/dbraw/zinc/18/10/03/813181003.db2.gz PPSXVWZJOPMDQH-UHFFFAOYSA-N 1 0 278.312 -0.631 20 30 CBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)COCC ZINC001122978244 813202253 /nfs/dbraw/zinc/20/22/53/813202253.db2.gz JQPZCDLBZMXZHD-UHFFFAOYSA-N 1 0 283.372 -0.071 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCCC=C ZINC001124495005 813445498 /nfs/dbraw/zinc/44/54/98/813445498.db2.gz LXOHDBJRBOBOHW-CHWSQXEVSA-N 1 0 295.383 -0.189 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001124487563 813446049 /nfs/dbraw/zinc/44/60/49/813446049.db2.gz FAWLWNIHKLUDSE-VXGBXAGGSA-N 1 0 274.361 -0.319 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)nn1C ZINC001124277207 813426058 /nfs/dbraw/zinc/42/60/58/813426058.db2.gz CFRJPODFRMYGIM-NSHDSACASA-N 1 0 293.371 -0.261 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)n(C)n1 ZINC001124278434 813426545 /nfs/dbraw/zinc/42/65/45/813426545.db2.gz WPFZJNXIAPHROV-UHFFFAOYSA-N 1 0 279.344 -0.650 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124487576 813445859 /nfs/dbraw/zinc/44/58/59/813445859.db2.gz FHIPKZILEFBMJP-NEPJUHHUSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001129124989 813820835 /nfs/dbraw/zinc/82/08/35/813820835.db2.gz JCWUZFQSEAWIQJ-NSHDSACASA-N 1 0 291.351 -0.309 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CC(=O)N(C)C)CCC1 ZINC001129121180 813821094 /nfs/dbraw/zinc/82/10/94/813821094.db2.gz MWTBVVRKLROJLS-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]C[C@@H](C)O)CCOCC1 ZINC001129117366 813821134 /nfs/dbraw/zinc/82/11/34/813821134.db2.gz ZSBOEFCNMGUUPW-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO CO[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001133351524 814246741 /nfs/dbraw/zinc/24/67/41/814246741.db2.gz XHQVMKVPBXGSPN-NSHDSACASA-N 1 0 270.333 -0.997 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)OC ZINC001133454947 814255686 /nfs/dbraw/zinc/25/56/86/814255686.db2.gz WSSCVASIXRPEGU-GFCCVEGCSA-N 1 0 283.372 -0.497 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133512253 814266090 /nfs/dbraw/zinc/26/60/90/814266090.db2.gz AMPXTYPEVIVOJF-GHMZBOCLSA-N 1 0 287.360 -0.956 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001134822361 814414571 /nfs/dbraw/zinc/41/45/71/814414571.db2.gz VCBVGJRREGLPNV-BDAKNGLRSA-N 1 0 275.299 -0.126 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)NCC)c1 ZINC001133593337 814275629 /nfs/dbraw/zinc/27/56/29/814275629.db2.gz ZTQLKPSKQOJQBY-UHFFFAOYSA-N 1 0 274.324 -0.482 20 30 CBEDRO C=CCC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134428611 814384645 /nfs/dbraw/zinc/38/46/45/814384645.db2.gz UMBFLEVVHSQFMU-VIFPVBQESA-N 1 0 284.360 -0.122 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134641455 814403523 /nfs/dbraw/zinc/40/35/23/814403523.db2.gz VQFSUKNLLYWKIQ-LBPRGKRZSA-N 1 0 299.371 -0.953 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146185115 814779320 /nfs/dbraw/zinc/77/93/20/814779320.db2.gz TUNUEEOFXGAOQE-GHMZBOCLSA-N 1 0 268.361 -0.059 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001144409135 814776090 /nfs/dbraw/zinc/77/60/90/814776090.db2.gz HOVWBEUXEQKMQL-SRVKXCTJSA-N 1 0 285.413 -0.027 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NCc1nc(CO)n[nH]1 ZINC001148340535 814939696 /nfs/dbraw/zinc/93/96/96/814939696.db2.gz VETFAXPGFWPIQA-UHFFFAOYSA-N 1 0 253.306 -0.579 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148337881 814939788 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814952985 /nfs/dbraw/zinc/95/29/85/814952985.db2.gz RJENEAUYOQULQN-UHFFFAOYSA-N 1 0 296.352 -0.284 20 30 CBEDRO COc1ccccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148728140 814957747 /nfs/dbraw/zinc/95/77/47/814957747.db2.gz XIFLVBQCLXNICF-UHFFFAOYSA-N 1 0 290.323 -0.346 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC001148677363 814955678 /nfs/dbraw/zinc/95/56/78/814955678.db2.gz XDPRTQRIXHFBRC-SNVBAGLBSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(Cl)no1 ZINC001148662139 814955817 /nfs/dbraw/zinc/95/58/17/814955817.db2.gz LQJKCOBNPRSYGV-MRVPVSSYSA-N 1 0 298.730 -0.215 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(Cl)no1 ZINC001148662141 814956023 /nfs/dbraw/zinc/95/60/23/814956023.db2.gz LSLSGIZXSOTWAN-UHFFFAOYSA-N 1 0 286.719 -0.050 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001321463401 803770584 /nfs/dbraw/zinc/77/05/84/803770584.db2.gz BYXZUPZSYAQVDX-VXGBXAGGSA-N 1 0 272.345 -0.301 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnns1 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CC#CC[NH2+]C[C@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001322074040 803856164 /nfs/dbraw/zinc/85/61/64/803856164.db2.gz VYVFGWGXPZGGIY-NSHDSACASA-N 1 0 286.339 -0.216 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001322068420 803856174 /nfs/dbraw/zinc/85/61/74/803856174.db2.gz AYKYZLDQJFAPQP-NSHDSACASA-N 1 0 294.355 -0.309 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1c[nH]cc1C ZINC001322072371 803856339 /nfs/dbraw/zinc/85/63/39/803856339.db2.gz AUAOKEOMLMOFIY-NSHDSACASA-N 1 0 276.340 -0.220 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001322059760 803856885 /nfs/dbraw/zinc/85/68/85/803856885.db2.gz JAAJENJVSMYZBX-CMPLNLGQSA-N 1 0 287.385 -0.814 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccccc1C#C ZINC001149117600 814971265 /nfs/dbraw/zinc/97/12/65/814971265.db2.gz MJJLDJZPBGTYLD-UHFFFAOYSA-N 1 0 297.358 -0.334 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[N@H+](C)CCn1cncn1 ZINC001322129206 803864277 /nfs/dbraw/zinc/86/42/77/803864277.db2.gz GYXJMVDNKBNHJX-GHMZBOCLSA-N 1 0 264.333 -0.126 20 30 CBEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001322229210 803876986 /nfs/dbraw/zinc/87/69/86/803876986.db2.gz BDEHQYGPTVTDNW-RYUDHWBXSA-N 1 0 296.371 -0.416 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001322257471 803880491 /nfs/dbraw/zinc/88/04/91/803880491.db2.gz GNVCQASAXDYQQE-JTQLQIEISA-N 1 0 291.417 -0.063 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001322270364 803882994 /nfs/dbraw/zinc/88/29/94/803882994.db2.gz XHJHKWGEZCBNOY-NSHDSACASA-N 1 0 264.333 -0.477 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001322292672 803883770 /nfs/dbraw/zinc/88/37/70/803883770.db2.gz IATGUJIMEGHYAJ-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001322341350 803889409 /nfs/dbraw/zinc/88/94/09/803889409.db2.gz WVDYODYKQWPIGR-NWDGAFQWSA-N 1 0 276.344 -0.429 20 30 CBEDRO C[C@@H]([NH2+]CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001322471626 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COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001322992234 803963261 /nfs/dbraw/zinc/96/32/61/803963261.db2.gz QWIBBFKWZBEZOY-NWDGAFQWSA-N 1 0 295.339 -0.771 20 30 CBEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CNC(=O)OC)C1 ZINC001149255575 814980378 /nfs/dbraw/zinc/98/03/78/814980378.db2.gz CABXSWMZQOTBTB-GFCCVEGCSA-N 1 0 297.355 -0.427 20 30 CBEDRO CC#CC[NH2+]C[C@@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001323016113 803966945 /nfs/dbraw/zinc/96/69/45/803966945.db2.gz VLHADMOBDXPLMC-CYBMUJFWSA-N 1 0 293.367 -0.647 20 30 CBEDRO C=CC[NH2+]C[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001323049839 803971370 /nfs/dbraw/zinc/97/13/70/803971370.db2.gz ZIAGJFCJUBWYJS-SECBINFHSA-N 1 0 250.306 -0.506 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001323054017 803972067 /nfs/dbraw/zinc/97/20/67/803972067.db2.gz ZMPQVERDEDCTFQ-WDEREUQCSA-N 1 0 264.329 -0.872 20 30 CBEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COCCO2)c1C#N ZINC001323071294 803973955 /nfs/dbraw/zinc/97/39/55/803973955.db2.gz 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C#CC[C@H](CO)[NH2+]C[C@H](O)COC1CCOCC1 ZINC001118241664 812504207 /nfs/dbraw/zinc/50/42/07/812504207.db2.gz JTPNIVPVMIGJNX-NEPJUHHUSA-N 1 0 257.330 -0.483 20 30 CBEDRO C#CCC[NH+]1CCC(NC(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC001118241520 812504467 /nfs/dbraw/zinc/50/44/67/812504467.db2.gz YKOIBVMNHVQDHE-UHFFFAOYSA-N 1 0 299.396 -0.589 20 30 CBEDRO CCN1C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)CC1=O ZINC001118278357 812517012 /nfs/dbraw/zinc/51/70/12/812517012.db2.gz YZVNOYKKCBTHCM-MNOVXSKESA-N 1 0 266.345 -0.008 20 30 CBEDRO N#CCNC(=O)CNC(=O)NCCC1(C[NH3+])CC1 ZINC001118313828 812526176 /nfs/dbraw/zinc/52/61/76/812526176.db2.gz QPOSYEKCKTULGI-UHFFFAOYSA-N 1 0 253.306 -0.946 20 30 CBEDRO CN(CC[NH3+])C(=O)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001118330865 812532027 /nfs/dbraw/zinc/53/20/27/812532027.db2.gz BYBVMUHNHZVSAJ-UHFFFAOYSA-N 1 0 272.308 -0.182 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001158457960 815534735 /nfs/dbraw/zinc/53/47/35/815534735.db2.gz NDZHNXKWGBHCGG-JSGCOSHPSA-N 1 0 266.341 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C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCOC2)C1=O ZINC001124690623 813469255 /nfs/dbraw/zinc/46/92/55/813469255.db2.gz ITXSDGVJURMNPY-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCOC2)C1=O ZINC001124690622 813470008 /nfs/dbraw/zinc/47/00/08/813470008.db2.gz ITXSDGVJURMNPY-CHWSQXEVSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCOC1 ZINC001124709472 813470878 /nfs/dbraw/zinc/47/08/78/813470878.db2.gz AKRFGJANTHZYQB-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCC ZINC001124723068 813470895 /nfs/dbraw/zinc/47/08/95/813470895.db2.gz MAMHOGJDRFKZLJ-LLVKDONJSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CCc1ccnn1C ZINC001124767446 813477798 /nfs/dbraw/zinc/47/77/98/813477798.db2.gz GSKHPJXRMWSXBS-UHFFFAOYSA-N 1 0 266.345 -0.129 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC=C ZINC001124773254 813478976 /nfs/dbraw/zinc/47/89/76/813478976.db2.gz POBLAINVRADJAL-NSHDSACASA-N 1 0 267.329 -0.967 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cocn1 ZINC001124798214 813481498 /nfs/dbraw/zinc/48/14/98/813481498.db2.gz GXKRQLWZWGQYBP-SECBINFHSA-N 1 0 266.301 -0.315 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CSC ZINC001124830991 813485684 /nfs/dbraw/zinc/48/56/84/813485684.db2.gz KMUCKRFLCVQOGY-JTQLQIEISA-N 1 0 271.386 -0.559 20 30 CBEDRO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124902667 813499985 /nfs/dbraw/zinc/49/99/85/813499985.db2.gz LTOVTUARESVYDP-JTQLQIEISA-N 1 0 275.374 -0.323 20 30 CBEDRO CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124890126 813496475 /nfs/dbraw/zinc/49/64/75/813496475.db2.gz WUYJOOLRDCCFQS-NXEZZACHSA-N 1 0 254.334 -0.233 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001124888172 813496554 /nfs/dbraw/zinc/49/65/54/813496554.db2.gz FOINSFIETUDZCK-SNVBAGLBSA-N 1 0 282.344 -0.853 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001124887942 813496853 /nfs/dbraw/zinc/49/68/53/813496853.db2.gz 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289.339 -0.104 20 30 CBEDRO C[C@H]([NH2+]CCNC(=O)c1c[nH]c(C#N)c1)C(=O)N(C)C ZINC001125994799 813600349 /nfs/dbraw/zinc/60/03/49/813600349.db2.gz KXVWMVNPXVBTKA-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001125999128 813600550 /nfs/dbraw/zinc/60/05/50/813600550.db2.gz YGHDERSSPLNVHK-UHFFFAOYSA-N 1 0 287.310 -0.123 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H](C)OC ZINC001126051321 813607116 /nfs/dbraw/zinc/60/71/16/813607116.db2.gz YOIZAMGWWWEOBU-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(F)cn1 ZINC001126086871 813610818 /nfs/dbraw/zinc/61/08/18/813610818.db2.gz ROYIFVKOHXKANH-SNVBAGLBSA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(OC)no1 ZINC001126078975 813611732 /nfs/dbraw/zinc/61/17/32/813611732.db2.gz HJHUNUJPXDXWCK-SECBINFHSA-N 1 0 294.311 -0.860 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126115413 813614838 /nfs/dbraw/zinc/61/48/38/813614838.db2.gz 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C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001127052504 813709278 /nfs/dbraw/zinc/70/92/78/813709278.db2.gz YZWCBIHCPWKZQS-STQMWFEESA-N 1 0 297.399 -0.014 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CO[C@@H]1CCOC1 ZINC001127142933 813715416 /nfs/dbraw/zinc/71/54/16/813715416.db2.gz UJYGUCVYCSYRQE-GFCCVEGCSA-N 1 0 272.345 -0.300 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1cccc(C)c1=O ZINC001127190540 813719689 /nfs/dbraw/zinc/71/96/89/813719689.db2.gz WRRJDVUPVQOGEQ-UHFFFAOYSA-N 1 0 261.325 -0.114 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001127267381 813721095 /nfs/dbraw/zinc/72/10/95/813721095.db2.gz VSJVQNBSHHFQGN-JTQLQIEISA-N 1 0 277.328 -0.346 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cnc(N(C)C)cn1 ZINC001127285276 813722180 /nfs/dbraw/zinc/72/21/80/813722180.db2.gz TYOQQJWAKXROMK-UHFFFAOYSA-N 1 0 261.329 -0.115 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OCC)C1CC1 ZINC001127408507 813726448 /nfs/dbraw/zinc/72/64/48/813726448.db2.gz HORRTOZURPBCTG-ZDUSSCGKSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127558847 813735184 /nfs/dbraw/zinc/73/51/84/813735184.db2.gz TYIKRRFJEHBLLJ-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001127605263 813736491 /nfs/dbraw/zinc/73/64/91/813736491.db2.gz WEKUFFJPKHGSSV-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001127604246 813736564 /nfs/dbraw/zinc/73/65/64/813736564.db2.gz BVXALNORVVEFIE-NEPJUHHUSA-N 1 0 283.372 -0.238 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001127604770 813737977 /nfs/dbraw/zinc/73/79/77/813737977.db2.gz MYSYKGGOGFEJHR-UPJWGTAASA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001127876317 813751111 /nfs/dbraw/zinc/75/11/11/813751111.db2.gz ZCAKJSWAMWLRHN-LLVKDONJSA-N 1 0 291.417 -0.014 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CNC(=O)C1CCCC1 ZINC001127940592 813754326 /nfs/dbraw/zinc/75/43/26/813754326.db2.gz DXZVAFIZMFXLLO-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC ZINC001127974744 813756025 /nfs/dbraw/zinc/75/60/25/813756025.db2.gz ZUSXNUHMJWGIOM-GHMZBOCLSA-N 1 0 298.387 -0.702 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128108395 813761205 /nfs/dbraw/zinc/76/12/05/813761205.db2.gz PGDROJZBQPTPJK-UHFFFAOYSA-N 1 0 266.750 -0.511 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnn1C(C)C ZINC001128204107 813763685 /nfs/dbraw/zinc/76/36/85/813763685.db2.gz LGLGAUWQGJHNKJ-UHFFFAOYSA-N 1 0 291.355 -0.467 20 30 CBEDRO C=CC(C)(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001128258383 813766963 /nfs/dbraw/zinc/76/69/63/813766963.db2.gz FUTBUUCKKJIPLL-SECBINFHSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=C(C)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128405439 813773179 /nfs/dbraw/zinc/77/31/79/813773179.db2.gz ZITFKUNHZFMTIS-UHFFFAOYSA-N 1 0 252.318 -0.312 20 30 CBEDRO C=C(C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128413857 813773593 /nfs/dbraw/zinc/77/35/93/813773593.db2.gz OZHZHHLKIBWBRE-UHFFFAOYSA-N 1 0 277.390 -0.402 20 30 CBEDRO C#CCN1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466601 813775706 /nfs/dbraw/zinc/77/57/06/813775706.db2.gz FAALLFZHTXHWDS-UHFFFAOYSA-N 1 0 289.383 -0.100 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc2occc2[nH]1 ZINC001128491186 813778212 /nfs/dbraw/zinc/77/82/12/813778212.db2.gz RQYONBDPGLHGRL-UHFFFAOYSA-N 1 0 289.295 -0.280 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CN(C)C(=O)C(C)C ZINC001128590109 813782789 /nfs/dbraw/zinc/78/27/89/813782789.db2.gz AMWBLBUJMJUDSQ-UHFFFAOYSA-N 1 0 253.346 -0.170 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128595316 813783162 /nfs/dbraw/zinc/78/31/62/813783162.db2.gz XTTAZOXCAKCPSO-LLVKDONJSA-N 1 0 291.417 -0.014 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128601170 813783467 /nfs/dbraw/zinc/78/34/67/813783467.db2.gz NERDTOSZTFINLQ-UHFFFAOYSA-N 1 0 263.363 -0.792 20 30 CBEDRO CCN1C[C@@H](C(=O)NCC[NH2+]CC#CCOC)CC1=O ZINC001128649127 813788747 /nfs/dbraw/zinc/78/87/47/813788747.db2.gz AUDSEBNSWBURGK-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001128650575 813789980 /nfs/dbraw/zinc/78/99/80/813789980.db2.gz NVYWQGDQFGPNKO-LBPRGKRZSA-N 1 0 283.372 -0.237 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128692344 813794235 /nfs/dbraw/zinc/79/42/35/813794235.db2.gz ZHEFDDFJWYNTON-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128691331 813794968 /nfs/dbraw/zinc/79/49/68/813794968.db2.gz HQGVWOMCCOIEQO-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128763744 813797428 /nfs/dbraw/zinc/79/74/28/813797428.db2.gz IRBAXOWCOBNNJB-UHFFFAOYSA-N 1 0 294.355 -0.781 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C1(COC)CCOCC1 ZINC001128854619 813805490 /nfs/dbraw/zinc/80/54/90/813805490.db2.gz OLFZJKFHOQOQDY-UHFFFAOYSA-N 1 0 298.383 -0.215 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnn2c1CCC2 ZINC001128927206 813808822 /nfs/dbraw/zinc/80/88/22/813808822.db2.gz HSVZPQAUGOSAFQ-UHFFFAOYSA-N 1 0 276.340 -0.202 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC(F)(F)C1 ZINC001128935780 813810385 /nfs/dbraw/zinc/81/03/85/813810385.db2.gz MTMIBAHAGZUHSD-VIFPVBQESA-N 1 0 288.298 -0.233 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1n1ccnn1 ZINC001128988784 813813982 /nfs/dbraw/zinc/81/39/82/813813982.db2.gz CDNYIYKYSLZSSM-XQQFMLRXSA-N 1 0 291.355 -0.322 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CCOCCO)CCOCC1 ZINC001129116610 813819209 /nfs/dbraw/zinc/81/92/09/813819209.db2.gz DBTJYMPKHJXMAL-UHFFFAOYSA-N 1 0 298.383 -0.479 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCCn1ccnn1 ZINC001129172663 813822588 /nfs/dbraw/zinc/82/25/88/813822588.db2.gz RRTGGPOSDZLORS-UHFFFAOYSA-N 1 0 281.360 -0.033 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001129230586 813826186 /nfs/dbraw/zinc/82/61/86/813826186.db2.gz OTEGYSMRCJGQDQ-ZIAGYGMSSA-N 1 0 298.383 -0.216 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1conc1C(C)C 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767615 814188042 /nfs/dbraw/zinc/18/80/42/814188042.db2.gz MBAWGXBLJRLZRT-WDEREUQCSA-N 1 0 296.371 -0.996 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(F)F)CCC1 ZINC001132802128 814190735 /nfs/dbraw/zinc/19/07/35/814190735.db2.gz WHRASMCLJLFSKA-UHFFFAOYSA-N 1 0 287.310 -0.123 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132828025 814192286 /nfs/dbraw/zinc/19/22/86/814192286.db2.gz MCTLGRJRNGSTNH-OLZOCXBDSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001132849986 814193938 /nfs/dbraw/zinc/19/39/38/814193938.db2.gz BNDUVLOXKZCPFU-NEPJUHHUSA-N 1 0 298.408 -0.262 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132853150 814195460 /nfs/dbraw/zinc/19/54/60/814195460.db2.gz XNOTTYNBHZOHTG-LBPRGKRZSA-N 1 0 258.293 -0.529 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001132895283 814199751 /nfs/dbraw/zinc/19/97/51/814199751.db2.gz 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C=CCCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001133145430 814220338 /nfs/dbraw/zinc/22/03/38/814220338.db2.gz YRDBIKBWYDRRHO-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133144978 814220873 /nfs/dbraw/zinc/22/08/73/814220873.db2.gz JXBNTFOLILISMS-UHFFFAOYSA-N 1 0 256.306 -0.757 20 30 CBEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CNC(=O)N1 ZINC001133129225 814220960 /nfs/dbraw/zinc/22/09/60/814220960.db2.gz WORRRYQZGRCBLI-CYBMUJFWSA-N 1 0 286.335 -0.575 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C ZINC001133204115 814229587 /nfs/dbraw/zinc/22/95/87/814229587.db2.gz FQVIMCCYSGJZKH-CHWSQXEVSA-N 1 0 290.371 -0.229 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1conc1C ZINC001133237002 814233330 /nfs/dbraw/zinc/23/33/30/814233330.db2.gz SJRQJGMSWVVUBZ-SNVBAGLBSA-N 1 0 278.312 -0.560 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](OC)C(C)C ZINC001133338054 814244733 /nfs/dbraw/zinc/24/47/33/814244733.db2.gz GJQPDBISCKAJDM-RYUDHWBXSA-N 1 0 283.372 -0.499 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133378369 814247746 /nfs/dbraw/zinc/24/77/46/814247746.db2.gz DNNBFAODLKLQFO-ZDUSSCGKSA-N 1 0 266.345 -0.066 20 30 CBEDRO C=CCCC1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001133374026 814248247 /nfs/dbraw/zinc/24/82/47/814248247.db2.gz NFAMMKQMECJAMN-UHFFFAOYSA-N 1 0 282.344 -0.367 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(C)=O ZINC001133427955 814252572 /nfs/dbraw/zinc/25/25/72/814252572.db2.gz SNRMXXKKSIWCGJ-UWVGGRQHSA-N 1 0 284.360 -0.109 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133443927 814252981 /nfs/dbraw/zinc/25/29/81/814252981.db2.gz QLBCYJVGWWPGBJ-IUCAKERBSA-N 1 0 275.299 -0.126 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133473290 814259813 /nfs/dbraw/zinc/25/98/13/814259813.db2.gz GPGSTVRDIRPSND-ZDUSSCGKSA-N 1 0 267.329 -0.989 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133473355 814260055 /nfs/dbraw/zinc/26/00/55/814260055.db2.gz 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C[C@H](CNC(=O)C#CC1CC1)C[NH2+]CCS(C)(=O)=O ZINC001319184777 817175120 /nfs/dbraw/zinc/17/51/20/817175120.db2.gz DBJYDONGCYCRFT-NSHDSACASA-N 1 0 286.397 -0.214 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001319222186 817177450 /nfs/dbraw/zinc/17/74/50/817177450.db2.gz MUMGDHAQRUJICT-NWDGAFQWSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001319222188 817177605 /nfs/dbraw/zinc/17/76/05/817177605.db2.gz MUMGDHAQRUJICT-VXGBXAGGSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)c1ccnc2c1nnn2C ZINC001319230411 817178621 /nfs/dbraw/zinc/17/86/21/817178621.db2.gz BCPFRWCFBSOAAD-JTQLQIEISA-N 1 0 286.339 -0.048 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001319233021 817178807 /nfs/dbraw/zinc/17/88/07/817178807.db2.gz MGHOWLHBUGREOH-LLVKDONJSA-N 1 0 289.401 -0.580 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001319283378 817185894 /nfs/dbraw/zinc/18/58/94/817185894.db2.gz RLOMYESUIORUBU-NEPJUHHUSA-N 1 0 286.397 -0.071 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001319285807 817186532 /nfs/dbraw/zinc/18/65/32/817186532.db2.gz RGJUXQJVLXHJPX-SNVBAGLBSA-N 1 0 266.345 -0.135 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)C2(C(N)=O)CC2)CCCC1 ZINC001319372141 817197083 /nfs/dbraw/zinc/19/70/83/817197083.db2.gz FCYWRXPQWBBAQA-UHFFFAOYSA-N 1 0 263.341 -0.096 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)OC ZINC001319429530 817201993 /nfs/dbraw/zinc/20/19/93/817201993.db2.gz INKXMSUKZYIICU-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(C)no1 ZINC001319426588 817202275 /nfs/dbraw/zinc/20/22/75/817202275.db2.gz YWAONWVNXMDVAM-NSHDSACASA-N 1 0 292.339 -0.217 20 30 CBEDRO Cc1ncoc1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319439278 817205425 /nfs/dbraw/zinc/20/54/25/817205425.db2.gz KGMNZLPZYYINAH-VIFPVBQESA-N 1 0 293.327 -0.327 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319451952 817206087 /nfs/dbraw/zinc/20/60/87/817206087.db2.gz IPMLCYCRYGGKMF-FZMZJTMJSA-N 1 0 296.371 -0.610 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001319455318 817206487 /nfs/dbraw/zinc/20/64/87/817206487.db2.gz QXIOMHULGKBMFE-KGLIPLIRSA-N 1 0 298.383 -0.122 20 30 CBEDRO CCn1nncc1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001319451656 817206500 /nfs/dbraw/zinc/20/65/00/817206500.db2.gz GXEACEIYGNLRLR-LBPRGKRZSA-N 1 0 293.371 -0.002 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC(=O)NCC ZINC001319448449 817207080 /nfs/dbraw/zinc/20/70/80/817207080.db2.gz LVTFJICZZJQUHU-LLVKDONJSA-N 1 0 253.346 -0.028 20 30 CBEDRO C#CCOCCN(C)CC(=O)NC(=O)N[C@H](C)COC ZINC001319551955 817218729 /nfs/dbraw/zinc/21/87/29/817218729.db2.gz KTQLTRBFSMYRPB-LLVKDONJSA-N 1 0 285.344 -0.571 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1oncc1C ZINC001319557447 817219548 /nfs/dbraw/zinc/21/95/48/817219548.db2.gz IRSFZQDIFYAKOY-NSHDSACASA-N 1 0 292.339 -0.217 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001319683057 817233125 /nfs/dbraw/zinc/23/31/25/817233125.db2.gz NQJGIMZFXXNUKV-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001319805547 817244378 /nfs/dbraw/zinc/24/43/78/817244378.db2.gz HVYGHUPGHDJVIW-OLZOCXBDSA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CCOC)C(N)=O)CC1 ZINC001319828480 817245422 /nfs/dbraw/zinc/24/54/22/817245422.db2.gz LOIPIHUUOYTLLX-GFCCVEGCSA-N 1 0 281.356 -0.662 20 30 CBEDRO COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001319936672 817257522 /nfs/dbraw/zinc/25/75/22/817257522.db2.gz QVMWTMHLIKMLKI-QWHCGFSZSA-N 1 0 295.383 -0.497 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)CN1C(=O)CCC1=O)C(C)C ZINC001319956945 817260178 /nfs/dbraw/zinc/26/01/78/817260178.db2.gz GXRDIYBSJYHTII-LLVKDONJSA-N 1 0 279.340 -0.501 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)Cc1cc[nH]n1 ZINC001319987372 817263919 /nfs/dbraw/zinc/26/39/19/817263919.db2.gz YUSWTIHUNKFZMJ-UHFFFAOYSA-N 1 0 278.356 -0.008 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)CCCO ZINC001319999532 817266116 /nfs/dbraw/zinc/26/61/16/817266116.db2.gz ICKLCVHGFDVBCY-GFCCVEGCSA-N 1 0 256.346 -0.203 20 30 CBEDRO CN(CC[N@H+](C)CCOCCO)C(=O)C#CC1CC1 ZINC001320000601 817266452 /nfs/dbraw/zinc/26/64/52/817266452.db2.gz VFGLUYBFTYYRIB-UHFFFAOYSA-N 1 0 268.357 -0.201 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001320033931 817270171 /nfs/dbraw/zinc/27/01/71/817270171.db2.gz NUTYUJASIXVDRN-NSHDSACASA-N 1 0 268.361 -0.024 20 30 CBEDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC001320070330 817274606 /nfs/dbraw/zinc/27/46/06/817274606.db2.gz HJNMCCQOBDIJTE-SNVBAGLBSA-N 1 0 262.317 -0.440 20 30 CBEDRO CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001320119459 817279461 /nfs/dbraw/zinc/27/94/61/817279461.db2.gz XLOHUTVSXZIUJS-NWDGAFQWSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCOCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320136882 817280702 /nfs/dbraw/zinc/28/07/02/817280702.db2.gz TULLNUKXTSFFPF-OLZOCXBDSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001320155276 817283139 /nfs/dbraw/zinc/28/31/39/817283139.db2.gz RJJKWMWLIUSEEZ-QWRGUYRKSA-N 1 0 269.345 -0.451 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001320183756 817285655 /nfs/dbraw/zinc/28/56/55/817285655.db2.gz BOOYVVKBUYBIEX-ONGXEEELSA-N 1 0 257.334 -0.846 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccsc1 ZINC001320184587 817285675 /nfs/dbraw/zinc/28/56/75/817285675.db2.gz FDABIGYJPFAPRN-JTQLQIEISA-N 1 0 296.352 -0.932 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)n[nH]1 ZINC001320199847 817289409 /nfs/dbraw/zinc/28/94/09/817289409.db2.gz MNHIUORITPZODB-JTQLQIEISA-N 1 0 252.318 -0.162 20 30 CBEDRO Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)n1 ZINC001320201247 817289900 /nfs/dbraw/zinc/28/99/00/817289900.db2.gz JJARRLYYLZXBTP-MFKMUULPSA-N 1 0 293.371 -0.274 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001320203563 817291284 /nfs/dbraw/zinc/29/12/84/817291284.db2.gz NKVJFELQYULMCD-SNVBAGLBSA-N 1 0 250.302 -0.578 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001320213540 817293209 /nfs/dbraw/zinc/29/32/09/817293209.db2.gz HMFNSHINJRQHPX-WDEREUQCSA-N 1 0 281.360 -0.150 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001320212911 817293660 /nfs/dbraw/zinc/29/36/60/817293660.db2.gz CPHGEVBPASWULA-LLVKDONJSA-N 1 0 272.345 -0.218 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001320215227 817294236 /nfs/dbraw/zinc/29/42/36/817294236.db2.gz QVHYKBCLSAUSAJ-QWRGUYRKSA-N 1 0 281.360 -0.150 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001320216358 817295677 /nfs/dbraw/zinc/29/56/77/817295677.db2.gz YAFGFXMRKFBDLB-STQMWFEESA-N 1 0 268.357 -0.107 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001320217412 817296009 /nfs/dbraw/zinc/29/60/09/817296009.db2.gz OCRDPBFMRIUWFK-NEPJUHHUSA-N 1 0 283.372 -0.811 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001320216355 817296178 /nfs/dbraw/zinc/29/61/78/817296178.db2.gz YAFGFXMRKFBDLB-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001320218747 817296396 /nfs/dbraw/zinc/29/63/96/817296396.db2.gz USBTXPCZFBYSSW-AAEUAGOBSA-N 1 0 293.367 -0.843 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001320226136 817297722 /nfs/dbraw/zinc/29/77/22/817297722.db2.gz ABHVTWLBCJRYDZ-OCCSQVGLSA-N 1 0 292.383 -0.082 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001320227206 817298854 /nfs/dbraw/zinc/29/88/54/817298854.db2.gz MKULRTPYQHGEIF-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001320232111 817299567 /nfs/dbraw/zinc/29/95/67/817299567.db2.gz BGUUSCCQKMWAAD-NSHDSACASA-N 1 0 265.313 -0.384 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001320233939 817299881 /nfs/dbraw/zinc/29/98/81/817299881.db2.gz JFSQMTSIKGPAMO-QJPTWQEYSA-N 1 0 276.340 -0.397 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001320232122 817299962 /nfs/dbraw/zinc/29/99/62/817299962.db2.gz BRUMOIGYHIBEDR-JTQLQIEISA-N 1 0 271.361 -0.469 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)COCc1cc(C)on1 ZINC001320239655 817300856 /nfs/dbraw/zinc/30/08/56/817300856.db2.gz YVUOYENJBYMDLF-GFCCVEGCSA-N 1 0 281.312 -0.800 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001320242939 817302544 /nfs/dbraw/zinc/30/25/44/817302544.db2.gz PMUXGNQVQRXEHZ-VIFPVBQESA-N 1 0 264.329 -0.235 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001320240568 817302990 /nfs/dbraw/zinc/30/29/90/817302990.db2.gz ACYYAVYFDDZTCT-STQMWFEESA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nnc2ccccc2n1 ZINC001320249325 817304378 /nfs/dbraw/zinc/30/43/78/817304378.db2.gz JWVJLTLAVMCPFN-JTQLQIEISA-N 1 0 285.307 -0.662 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001320247241 817304456 /nfs/dbraw/zinc/30/44/56/817304456.db2.gz AGUBJHFIFDHSNJ-JTQLQIEISA-N 1 0 290.327 -0.770 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2c(c1)nnn2C ZINC001320247242 817304586 /nfs/dbraw/zinc/30/45/86/817304586.db2.gz AGUBJHFIFDHSNJ-SNVBAGLBSA-N 1 0 290.327 -0.770 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001320257075 817304942 /nfs/dbraw/zinc/30/49/42/817304942.db2.gz KFZIXJVUFMPDGF-QWRGUYRKSA-N 1 0 283.372 -0.456 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320255985 817305241 /nfs/dbraw/zinc/30/52/41/817305241.db2.gz CLFUTJBPDUTKDT-LLVKDONJSA-N 1 0 283.372 -0.456 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)C=CCC1 ZINC001320256392 817305479 /nfs/dbraw/zinc/30/54/79/817305479.db2.gz HGZSJWCPWBOUGB-IUODEOHRSA-N 1 0 295.383 -0.288 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1nc(C(C)C)no1 ZINC001320259797 817306680 /nfs/dbraw/zinc/30/66/80/817306680.db2.gz 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C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H](C)C#N ZINC001169849512 820266509 /nfs/dbraw/zinc/26/65/09/820266509.db2.gz XNKOMTHDUQHKCA-VHSXEESVSA-N 1 0 254.334 -0.104 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001169822870 820266919 /nfs/dbraw/zinc/26/69/19/820266919.db2.gz YRWOIJUSASQRCX-ZJUUUORDSA-N 1 0 297.359 -0.394 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC(N)=O ZINC001169927678 820269775 /nfs/dbraw/zinc/26/97/75/820269775.db2.gz KDZSVYIFIQKSRC-LLVKDONJSA-N 1 0 298.387 -0.571 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1oncc1C ZINC001170051851 820277928 /nfs/dbraw/zinc/27/79/28/820277928.db2.gz CNRUJBWXGUIAHO-NSHDSACASA-N 1 0 292.339 -0.170 20 30 CBEDRO CCOC(=O)[C@H](C#N)Nc1ncc2c(n1)C[NH2+]CC2 ZINC001170365647 820290394 /nfs/dbraw/zinc/29/03/94/820290394.db2.gz BACXMJVDUSFHNV-VIFPVBQESA-N 1 0 261.285 -0.011 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001170441603 820291689 /nfs/dbraw/zinc/29/16/89/820291689.db2.gz 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CC#CC[NH2+]CCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001170757402 820315527 /nfs/dbraw/zinc/31/55/27/820315527.db2.gz WXGYVGMFASNOKY-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001170742248 820315592 /nfs/dbraw/zinc/31/55/92/820315592.db2.gz KFSRFWNAEJMPQW-NWDGAFQWSA-N 1 0 283.372 -0.225 20 30 CBEDRO N#Cc1cc(Cl)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170772240 820315982 /nfs/dbraw/zinc/31/59/82/820315982.db2.gz HGEUBWXWYAEYME-HTRCEHHLSA-N 1 0 253.693 -0.006 20 30 CBEDRO COC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c(C#N)n1 ZINC001170780607 820322444 /nfs/dbraw/zinc/32/24/44/820322444.db2.gz HNRALEUBLSBJCM-QPUJVOFHSA-N 1 0 276.296 -0.268 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171026050 820344423 /nfs/dbraw/zinc/34/44/23/820344423.db2.gz MJVAVJOEVLFYFS-UHFFFAOYSA-N 1 0 282.344 -0.448 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171038249 820344763 /nfs/dbraw/zinc/34/47/63/820344763.db2.gz SBLDAQWFUZNHGF-UHFFFAOYSA-N 1 0 296.371 -0.058 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CNC(=O)NC ZINC001171108186 820347180 /nfs/dbraw/zinc/34/71/80/820347180.db2.gz KNYORPZZZMECLT-NSHDSACASA-N 1 0 268.361 -0.187 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001171365140 820357910 /nfs/dbraw/zinc/35/79/10/820357910.db2.gz MQBCHPKJKMFEED-GDPRMGEGSA-N 1 0 293.327 -0.135 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1ncnc2c1C[NH2+]CC2 ZINC001171364146 820358921 /nfs/dbraw/zinc/35/89/21/820358921.db2.gz YTCWQKUNQSLTDB-XVKPBYJWSA-N 1 0 263.301 -0.230 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)N(C)C)nc1 ZINC001171584808 820361904 /nfs/dbraw/zinc/36/19/04/820361904.db2.gz BDIRHVMGHPROOH-UHFFFAOYSA-N 1 0 288.351 -0.139 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611487 820364663 /nfs/dbraw/zinc/36/46/63/820364663.db2.gz RAMGQTKXNBPNSC-LBPRGKRZSA-N 1 0 293.371 -0.520 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@H](C)C(N)=O)cn1 ZINC001171595086 820364891 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C#CCC[NH2+]CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001175285917 820423843 /nfs/dbraw/zinc/42/38/43/820423843.db2.gz PZBBWARZBHINEG-UHFFFAOYSA-N 1 0 294.355 -0.564 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cncn1 ZINC001175484329 820427590 /nfs/dbraw/zinc/42/75/90/820427590.db2.gz RDDGUXAWFUEEPZ-LLVKDONJSA-N 1 0 294.359 -0.935 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)Cn1ccccc1=O ZINC001175732492 820432951 /nfs/dbraw/zinc/43/29/51/820432951.db2.gz JPBYMZQCVCRYDY-UHFFFAOYSA-N 1 0 261.325 -0.033 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176288440 820444854 /nfs/dbraw/zinc/44/48/54/820444854.db2.gz IKMMHRGNPRNAAH-SNVBAGLBSA-N 1 0 275.374 -0.650 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@H]1COCCN1C(C)=O ZINC001176530545 820450910 /nfs/dbraw/zinc/45/09/10/820450910.db2.gz MHNBSKFISNTUAR-GFCCVEGCSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001176635312 820453872 /nfs/dbraw/zinc/45/38/72/820453872.db2.gz AMTTXJCQKBSVJC-LBPRGKRZSA-N 1 0 255.362 -0.011 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001176643747 820454619 /nfs/dbraw/zinc/45/46/19/820454619.db2.gz HLMDHHGOQBPUAT-CYBMUJFWSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001176861578 820472353 /nfs/dbraw/zinc/47/23/53/820472353.db2.gz UUGIVMNXQXWQIN-NEPJUHHUSA-N 1 0 293.367 -0.063 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001176861580 820472482 /nfs/dbraw/zinc/47/24/82/820472482.db2.gz UUGIVMNXQXWQIN-NWDGAFQWSA-N 1 0 293.367 -0.063 20 30 CBEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](CO)[C@H](CCO)C2)C1=O ZINC001176966458 820483315 /nfs/dbraw/zinc/48/33/15/820483315.db2.gz ZAMOJNWKYJGSMQ-AGIUHOORSA-N 1 0 268.357 -0.304 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001177011650 820488503 /nfs/dbraw/zinc/48/85/03/820488503.db2.gz ODFRQDMTOCNIDF-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001177090373 820492094 /nfs/dbraw/zinc/49/20/94/820492094.db2.gz MKXWPDSDKIUNIT-SNVBAGLBSA-N 1 0 262.375 -0.051 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n1C ZINC001177108267 820493185 /nfs/dbraw/zinc/49/31/85/820493185.db2.gz QXIPYEMDEDSKGO-UHFFFAOYSA-N 1 0 294.355 -0.917 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001177273773 820500603 /nfs/dbraw/zinc/50/06/03/820500603.db2.gz YQYQGEGZVUMTKW-NEPJUHHUSA-N 1 0 274.361 -0.319 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001177273488 820500639 /nfs/dbraw/zinc/50/06/39/820500639.db2.gz QPHZLOIHMZLIEN-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)OCC=C ZINC001177269931 820500667 /nfs/dbraw/zinc/50/06/67/820500667.db2.gz ZCUCRUULCSRWKY-GFCCVEGCSA-N 1 0 281.356 -0.577 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001177269278 820501174 /nfs/dbraw/zinc/50/11/74/820501174.db2.gz JPDDFNUWHZEDCN-LLVKDONJSA-N 1 0 297.355 -0.520 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)COCCC=C ZINC001177260141 820501350 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C#CC[NH2+]CCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001177361649 820505740 /nfs/dbraw/zinc/50/57/40/820505740.db2.gz KKUMWZWMJUBBIE-UHFFFAOYSA-N 1 0 260.297 -0.477 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001177358774 820506480 /nfs/dbraw/zinc/50/64/80/820506480.db2.gz SEDVKAJLYRBOCZ-UHFFFAOYSA-N 1 0 274.324 -0.087 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177392496 820510386 /nfs/dbraw/zinc/51/03/86/820510386.db2.gz BJPOJGBCBLGRCG-UHFFFAOYSA-N 1 0 271.361 -0.060 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1nonc1C ZINC001177447763 820521009 /nfs/dbraw/zinc/52/10/09/820521009.db2.gz XTXYEXWFELESCE-UHFFFAOYSA-N 1 0 266.301 -0.263 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177600351 820527303 /nfs/dbraw/zinc/52/73/03/820527303.db2.gz BQLWMIQFCQMXOW-SNVBAGLBSA-N 1 0 265.313 -0.842 20 30 CBEDRO CS(=O)(=O)N(CC[NH3+])C(=O)C#Cc1cccnc1 ZINC001177773288 820537242 /nfs/dbraw/zinc/53/72/42/820537242.db2.gz NYZFFDJLFZSARO-UHFFFAOYSA-N 1 0 267.310 -0.820 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])C(=O)C#Cc1cccnc1 ZINC001177779672 820538795 /nfs/dbraw/zinc/53/87/95/820538795.db2.gz FWCRXPUNEWENGH-UHFFFAOYSA-N 1 0 275.308 -0.217 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(C)=O)[C@H]1C ZINC001178012280 820554902 /nfs/dbraw/zinc/55/49/02/820554902.db2.gz ITIWIBYNCYLNQR-ONGXEEELSA-N 1 0 282.344 -0.403 20 30 CBEDRO C[C@H](C#N)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178051954 820557016 /nfs/dbraw/zinc/55/70/16/820557016.db2.gz AHVQPSBJRDFIPZ-SNVBAGLBSA-N 1 0 297.359 -0.393 20 30 CBEDRO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CSCC#N ZINC001178148150 820566702 /nfs/dbraw/zinc/56/67/02/820566702.db2.gz OJCNTXKYZAITNT-GARJFASQSA-N 1 0 296.396 -0.289 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCCC)[C@H]1C ZINC001178268060 820572434 /nfs/dbraw/zinc/57/24/34/820572434.db2.gz PGSLOURRVUSSMB-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cocn1 ZINC001178336238 820575381 /nfs/dbraw/zinc/57/53/81/820575381.db2.gz WZDHZYRZECPTAC-UWVGGRQHSA-N 1 0 291.311 -0.493 20 30 CBEDRO CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178328054 820575401 /nfs/dbraw/zinc/57/54/01/820575401.db2.gz FXSDKJINTDIYJZ-RYUDHWBXSA-N 1 0 296.371 -0.368 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178351844 820576685 /nfs/dbraw/zinc/57/66/85/820576685.db2.gz YLESXXMIQABZGZ-WOPDTQHZSA-N 1 0 269.345 -0.266 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346183 820576889 /nfs/dbraw/zinc/57/68/89/820576889.db2.gz JCORCIUIWWAYCC-SDDRHHMPSA-N 1 0 263.341 -0.133 20 30 CBEDRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001178366459 820579318 /nfs/dbraw/zinc/57/93/18/820579318.db2.gz HAVPOABOYYUSRC-DCAQKATOSA-N 1 0 266.345 -0.139 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C ZINC001178485200 820583881 /nfs/dbraw/zinc/58/38/81/820583881.db2.gz ATUDTSWLPIEMDN-KBPBESRZSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)OC)[C@@H]1C ZINC001178508408 820584023 /nfs/dbraw/zinc/58/40/23/820584023.db2.gz CEPPZSCRYPLSJG-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+][C@@H](C)COC)[C@@H]1C ZINC001178519814 820586250 /nfs/dbraw/zinc/58/62/50/820586250.db2.gz KVBGEPOQIHKLDN-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563508 820590687 /nfs/dbraw/zinc/59/06/87/820590687.db2.gz MLXDCMGBZROPEU-SRVKXCTJSA-N 1 0 296.371 -0.728 20 30 CBEDRO C#CCCCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178577230 820591413 /nfs/dbraw/zinc/59/14/13/820591413.db2.gz TXQDMSYRARSUDX-QWRGUYRKSA-N 1 0 251.330 -0.146 20 30 CBEDRO CC(C)[C@@H](O)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178611944 820591546 /nfs/dbraw/zinc/59/15/46/820591546.db2.gz TYBOLGQGLNZZAO-GMXVVIOVSA-N 1 0 296.371 -0.778 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178572733 820591586 /nfs/dbraw/zinc/59/15/86/820591586.db2.gz RKLXYFJGYQGIBS-HUBLWGQQSA-N 1 0 297.399 -0.019 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC001178615133 820591763 /nfs/dbraw/zinc/59/17/63/820591763.db2.gz INRSNXYLHKABPT-RYUDHWBXSA-N 1 0 291.355 -0.343 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178606301 820592177 /nfs/dbraw/zinc/59/21/77/820592177.db2.gz VAIZPTFGNGFSOG-SDDRHHMPSA-N 1 0 295.339 -0.676 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C#CC1CC1 ZINC001178645294 820593642 /nfs/dbraw/zinc/59/36/42/820593642.db2.gz JEZSZWYXCLGMTE-AAEUAGOBSA-N 1 0 288.351 -0.381 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC)[C@@H]1C ZINC001178678348 820594023 /nfs/dbraw/zinc/59/40/23/820594023.db2.gz HNERZXGRYOSGPJ-XQQFMLRXSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCNC(=O)NC)[C@H]1C ZINC001178632506 820594381 /nfs/dbraw/zinc/59/43/81/820594381.db2.gz RVYGCZKQDACVFA-QWRGUYRKSA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178681434 820595745 /nfs/dbraw/zinc/59/57/45/820595745.db2.gz FIFGNIHWZHXQDF-IHRRRGAJSA-N 1 0 298.383 -0.387 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178682184 820596567 /nfs/dbraw/zinc/59/65/67/820596567.db2.gz YBNKUDONKKWQDY-KBPBESRZSA-N 1 0 298.383 -0.386 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178753116 820598293 /nfs/dbraw/zinc/59/82/93/820598293.db2.gz CYGYKCHZWSEORR-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178767406 820599771 /nfs/dbraw/zinc/59/97/71/820599771.db2.gz BNFDWZDFPLDVNE-SRVKXCTJSA-N 1 0 283.372 -0.098 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179299848 820623158 /nfs/dbraw/zinc/62/31/58/820623158.db2.gz BEAMQKLFECUBHM-XQQFMLRXSA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179300203 820623239 /nfs/dbraw/zinc/62/32/39/820623239.db2.gz JLHHAVAWKCNUMK-VWYCJHECSA-N 1 0 251.330 -0.290 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179328190 820624668 /nfs/dbraw/zinc/62/46/68/820624668.db2.gz YHNLHXCFNQUEMM-QWRGUYRKSA-N 1 0 292.343 -0.948 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCCF ZINC001179332224 820625313 /nfs/dbraw/zinc/62/53/13/820625313.db2.gz IJEPSUKXQLFXHS-QWRGUYRKSA-N 1 0 284.335 -0.045 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179446769 820628747 /nfs/dbraw/zinc/62/87/47/820628747.db2.gz DLNHIICBMVAYNU-LLVKDONJSA-N 1 0 298.387 -0.571 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529947 820631327 /nfs/dbraw/zinc/63/13/27/820631327.db2.gz ISCHWQATGSPNIR-ZDEQEGDKSA-N 1 0 293.367 -0.378 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001179561835 820632273 /nfs/dbraw/zinc/63/22/73/820632273.db2.gz SMKDUMHZQSKCBK-RNJOBUHISA-N 1 0 295.383 -0.098 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543774 820632325 /nfs/dbraw/zinc/63/23/25/820632325.db2.gz JVIAURCIWNUDEB-USZNOCQGSA-N 1 0 263.341 -0.290 20 30 CBEDRO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C[NH3+])COC1 ZINC001179587765 820635345 /nfs/dbraw/zinc/63/53/45/820635345.db2.gz NQLJAKHZUCFQGF-JTQLQIEISA-N 1 0 297.355 -0.253 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001179695425 820638380 /nfs/dbraw/zinc/63/83/80/820638380.db2.gz JIRVPULKKIQRCQ-NSHDSACASA-N 1 0 294.355 -0.516 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001179896615 820645037 /nfs/dbraw/zinc/64/50/37/820645037.db2.gz SROBHTJMEZRITM-QWRGUYRKSA-N 1 0 261.329 -0.051 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180101050 820650294 /nfs/dbraw/zinc/65/02/94/820650294.db2.gz LHCLLRXWBKKBES-RYUDHWBXSA-N 1 0 298.387 -0.174 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096765 820650595 /nfs/dbraw/zinc/65/05/95/820650595.db2.gz ZDTBMJIIAKRAJH-UWVGGRQHSA-N 1 0 252.318 -0.743 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092552 820650628 /nfs/dbraw/zinc/65/06/28/820650628.db2.gz WFNFBKKTRXZUGM-RYUDHWBXSA-N 1 0 261.329 -0.120 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)[C@H]1C ZINC001180243079 820657635 /nfs/dbraw/zinc/65/76/35/820657635.db2.gz WZIQSEDHRDTFAN-WOPDTQHZSA-N 1 0 286.397 -0.121 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001180264108 820665995 /nfs/dbraw/zinc/66/59/95/820665995.db2.gz CWKBOANCXLBODQ-TUAOUCFPSA-N 1 0 283.372 -0.098 20 30 CBEDRO COCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001180325352 820669444 /nfs/dbraw/zinc/66/94/44/820669444.db2.gz RNEXFBXPJOLCIX-BXUZGUMPSA-N 1 0 296.371 -0.653 20 30 CBEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001180386386 820675871 /nfs/dbraw/zinc/67/58/71/820675871.db2.gz KGUZWRUYPWDECM-JTQLQIEISA-N 1 0 280.328 -0.695 20 30 CBEDRO C=CCSCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001180554955 820690329 /nfs/dbraw/zinc/69/03/29/820690329.db2.gz POKAVTQUQQBJLW-UHFFFAOYSA-N 1 0 252.361 -0.348 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC2)C1 ZINC001180577566 820695070 /nfs/dbraw/zinc/69/50/70/820695070.db2.gz WMLZDVJXONTHMV-CMPLNLGQSA-N 1 0 263.341 -0.275 20 30 CBEDRO N#C[C@H]1COCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610449 820699439 /nfs/dbraw/zinc/69/94/39/820699439.db2.gz IHXPFPZIRYLWDA-LBPRGKRZSA-N 1 0 294.355 -0.675 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001180627275 820701418 /nfs/dbraw/zinc/70/14/18/820701418.db2.gz HQLOXGNQZJHROO-CYBMUJFWSA-N 1 0 293.367 -0.647 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001180627870 820701863 /nfs/dbraw/zinc/70/18/63/820701863.db2.gz PWMRSZZOVFGVJK-LLVKDONJSA-N 1 0 264.329 -0.383 20 30 CBEDRO CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NC1(C[NH3+])COC1 ZINC001180783127 820726213 /nfs/dbraw/zinc/72/62/13/820726213.db2.gz OAPVPVGFMMSCIV-VIFPVBQESA-N 1 0 298.343 -0.363 20 30 CBEDRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)no1 ZINC001180810100 820728200 /nfs/dbraw/zinc/72/82/00/820728200.db2.gz KCTXSZKARVPDEM-SNVBAGLBSA-N 1 0 291.311 -0.573 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC001180987238 820745039 /nfs/dbraw/zinc/74/50/39/820745039.db2.gz PNUBTXJVZBOYQB-GFCCVEGCSA-N 1 0 288.351 -0.421 20 30 CBEDRO CC(C)SCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181076897 820752367 /nfs/dbraw/zinc/75/23/67/820752367.db2.gz VKKOJHCWALKEHK-LLVKDONJSA-N 1 0 298.412 -0.042 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001181107295 820754895 /nfs/dbraw/zinc/75/48/95/820754895.db2.gz WKEFDAFIZYJZQR-NXEZZACHSA-N 1 0 284.385 -0.432 20 30 CBEDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CSCC#N)C1)C(N)=O ZINC001181106533 820754971 /nfs/dbraw/zinc/75/49/71/820754971.db2.gz IBGDJJXETWGDEX-RKDXNWHRSA-N 1 0 270.358 -0.693 20 30 CBEDRO N#CCSCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181106536 820755571 /nfs/dbraw/zinc/75/55/71/820755571.db2.gz ICLRWOYKPQUQOW-LLVKDONJSA-N 1 0 296.396 -0.288 20 30 CBEDRO CS(=O)(=O)N(CC[NH3+])C(=O)Cc1ccc(F)c(C#N)c1 ZINC001181169994 820762255 /nfs/dbraw/zinc/76/22/55/820762255.db2.gz HPHSIWQMAAMDDT-UHFFFAOYSA-N 1 0 299.327 -0.013 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001181178134 820762367 /nfs/dbraw/zinc/76/23/67/820762367.db2.gz RQRXBWVCYGRGFP-VXGBXAGGSA-N 1 0 294.355 -0.614 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001181226268 820766340 /nfs/dbraw/zinc/76/63/40/820766340.db2.gz YVAIWKFIOUSWKJ-SNVBAGLBSA-N 1 0 280.353 -0.008 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001181225949 820767180 /nfs/dbraw/zinc/76/71/80/820767180.db2.gz RIJKJLAIOSZYRT-SECBINFHSA-N 1 0 293.352 -0.908 20 30 CBEDRO CCCSCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181317801 820775699 /nfs/dbraw/zinc/77/56/99/820775699.db2.gz WBGUTIFNRGXEOU-LLVKDONJSA-N 1 0 298.412 -0.040 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181326481 820777055 /nfs/dbraw/zinc/77/70/55/820777055.db2.gz VIQBVAQXZREQQB-SNVBAGLBSA-N 1 0 258.343 -0.755 20 30 CBEDRO C#CCOCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181448462 820786966 /nfs/dbraw/zinc/78/69/66/820786966.db2.gz QBDCUDJNWFVSNN-IUODEOHRSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COC(C)C)C1 ZINC001181421256 820787961 /nfs/dbraw/zinc/78/79/61/820787961.db2.gz WOKYQVWYTBRRSZ-CHWSQXEVSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCCC)C1 ZINC001181451826 820788007 /nfs/dbraw/zinc/78/80/07/820788007.db2.gz BFMWAXKWKKXQCV-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO CC[C@H](OC)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181460628 820789328 /nfs/dbraw/zinc/78/93/28/820789328.db2.gz DSYGOTUIENHUHU-MNOVXSKESA-N 1 0 282.344 -0.758 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001181550324 820797188 /nfs/dbraw/zinc/79/71/88/820797188.db2.gz HFQOTRJWMQIXKM-NWDGAFQWSA-N 1 0 294.355 -0.757 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOCC)C1 ZINC001181558693 820798116 /nfs/dbraw/zinc/79/81/16/820798116.db2.gz DRVKRSKWIIBYHE-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCC(=O)NCC)C1 ZINC001181580101 820799310 /nfs/dbraw/zinc/79/93/10/820799310.db2.gz YWBYWMPPDDIBSU-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001181618679 820804491 /nfs/dbraw/zinc/80/44/91/820804491.db2.gz XLUMOOBURNGYDB-GHMZBOCLSA-N 1 0 269.345 -0.357 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001181618301 820805327 /nfs/dbraw/zinc/80/53/27/820805327.db2.gz ORLZVEYDYGYCQF-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181652589 820806553 /nfs/dbraw/zinc/80/65/53/820806553.db2.gz NDMZWERNGNVLBP-GXSJLCMTSA-N 1 0 264.329 -0.385 20 30 CBEDRO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181653337 820806927 /nfs/dbraw/zinc/80/69/27/820806927.db2.gz YEPJXZFYTGCGJM-GHMZBOCLSA-N 1 0 266.345 -0.137 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001181761069 820825000 /nfs/dbraw/zinc/82/50/00/820825000.db2.gz UVXWKRIGDIOINN-QWHCGFSZSA-N 1 0 295.383 -0.094 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181812717 820833525 /nfs/dbraw/zinc/83/35/25/820833525.db2.gz YZXYIDNZIDGWFL-LLVKDONJSA-N 1 0 261.329 -0.049 20 30 CBEDRO C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001181879157 820836869 /nfs/dbraw/zinc/83/68/69/820836869.db2.gz PHDMMNZYQULIDO-CMPLNLGQSA-N 1 0 278.356 -0.137 20 30 CBEDRO C=CCOCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001181890457 820837313 /nfs/dbraw/zinc/83/73/13/820837313.db2.gz IYTAGFDWUATULL-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C/C=C(\C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181906531 820839682 /nfs/dbraw/zinc/83/96/82/820839682.db2.gz HQXJGURSMXNEEQ-JNZVDCKRSA-N 1 0 264.329 -0.217 20 30 CBEDRO Cc1[nH]ccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181920537 820840653 /nfs/dbraw/zinc/84/06/53/820840653.db2.gz IOVYFSHZXYRAGK-LLVKDONJSA-N 1 0 289.339 -0.233 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001181979029 820845094 /nfs/dbraw/zinc/84/50/94/820845094.db2.gz LQWGFOCWMAIQNX-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001182007221 820845751 /nfs/dbraw/zinc/84/57/51/820845751.db2.gz ZYXVVIKTKIIYCP-QWHCGFSZSA-N 1 0 294.351 -0.220 20 30 CBEDRO C[NH+]1CCC(O)(C(=O)Nc2nnccc2C#N)CC1 ZINC001182027538 820850026 /nfs/dbraw/zinc/85/00/26/820850026.db2.gz BZXPOVWVDGLKBI-UHFFFAOYSA-N 1 0 261.285 -0.257 20 30 CBEDRO C[NH+]1CCC(O)(C(=O)N2CCOC[C@H]2C#N)CC1 ZINC001182034843 820854527 /nfs/dbraw/zinc/85/45/27/820854527.db2.gz WJNXKGDSIYSDIQ-SNVBAGLBSA-N 1 0 253.302 -0.806 20 30 CBEDRO C[NH+]1CCC(O)(C(=O)N2CCOC[C@@H]2C#N)CC1 ZINC001182034842 820855307 /nfs/dbraw/zinc/85/53/07/820855307.db2.gz WJNXKGDSIYSDIQ-JTQLQIEISA-N 1 0 253.302 -0.806 20 30 CBEDRO CCOC(=O)[C@H](C#N)NC(=O)C1(O)CC[NH+](C)CC1 ZINC001182035712 820858248 /nfs/dbraw/zinc/85/82/48/820858248.db2.gz BEARMRHIPVDWFF-VIFPVBQESA-N 1 0 269.301 -0.985 20 30 CBEDRO C#CCCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182108235 820872807 /nfs/dbraw/zinc/87/28/07/820872807.db2.gz JOEHRTSBRSEHEW-LLVKDONJSA-N 1 0 294.355 -0.435 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001182120702 820873607 /nfs/dbraw/zinc/87/36/07/820873607.db2.gz FMVAQBRAABLLET-YPMHNXCESA-N 1 0 292.339 -0.302 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+][C@H](C)COC)C1 ZINC001182145787 820881369 /nfs/dbraw/zinc/88/13/69/820881369.db2.gz WHWVLLAXFSAPOX-VXGBXAGGSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCCOCC)C1 ZINC001182144968 820881580 /nfs/dbraw/zinc/88/15/80/820881580.db2.gz DWCKIOUFXMFSLR-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC)C1 ZINC001182145453 820882719 /nfs/dbraw/zinc/88/27/19/820882719.db2.gz QALIXNWAVPVXLW-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001182145430 820882831 /nfs/dbraw/zinc/88/28/31/820882831.db2.gz PJQWQNYOXBCVBT-CYBMUJFWSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC)C1 ZINC001182145378 820882979 /nfs/dbraw/zinc/88/29/79/820882979.db2.gz NSEHEVWHXQUCEV-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182204430 820890881 /nfs/dbraw/zinc/89/08/81/820890881.db2.gz OCSZMMBBZPBLSN-OCCSQVGLSA-N 1 0 286.372 -0.487 20 30 CBEDRO C#CCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001182221172 820893094 /nfs/dbraw/zinc/89/30/94/820893094.db2.gz YJXZEOGPQKYDCK-WDEREUQCSA-N 1 0 251.330 -0.146 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001182240784 820893479 /nfs/dbraw/zinc/89/34/79/820893479.db2.gz QXDKBRJTRRWQIM-VXGBXAGGSA-N 1 0 295.383 -0.524 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182330025 820898493 /nfs/dbraw/zinc/89/84/93/820898493.db2.gz XMDIUYMPFYEKBM-SNVBAGLBSA-N 1 0 252.318 -0.871 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182449600 820918824 /nfs/dbraw/zinc/91/88/24/820918824.db2.gz HGTJUKQXYJZZSO-GFCCVEGCSA-N 1 0 291.355 -0.504 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182473570 820921692 /nfs/dbraw/zinc/92/16/92/820921692.db2.gz VCBAPRLMAFYMLJ-CHWSQXEVSA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182473097 820922477 /nfs/dbraw/zinc/92/24/77/820922477.db2.gz OFUGKCGQBKCBNV-VXGBXAGGSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H](NCc2cn(C)nn2)C1 ZINC001182504682 820923288 /nfs/dbraw/zinc/92/32/88/820923288.db2.gz HMHYQMNLUZQYOK-NWDGAFQWSA-N 1 0 291.355 -0.456 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001182523208 820925907 /nfs/dbraw/zinc/92/59/07/820925907.db2.gz XYCBAGFVKKFGCF-CHWSQXEVSA-N 1 0 293.367 -0.553 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001182523209 820926184 /nfs/dbraw/zinc/92/61/84/820926184.db2.gz XYCBAGFVKKFGCF-OLZOCXBDSA-N 1 0 293.367 -0.553 20 30 CBEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607006 820928888 /nfs/dbraw/zinc/92/88/88/820928888.db2.gz IQQXILAILHKCEV-LLVKDONJSA-N 1 0 264.333 -0.170 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1 ZINC001182755378 820941253 /nfs/dbraw/zinc/94/12/53/820941253.db2.gz ODIILBQMGGIOTQ-WDEREUQCSA-N 1 0 287.385 -0.862 20 30 CBEDRO CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001182773061 820944685 /nfs/dbraw/zinc/94/46/85/820944685.db2.gz IBHMKWYHBUVPHK-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001182803017 820945121 /nfs/dbraw/zinc/94/51/21/820945121.db2.gz QZEPVGJBJNTQCE-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001182999445 820958298 /nfs/dbraw/zinc/95/82/98/820958298.db2.gz RETGWFCHZUQARI-LLVKDONJSA-N 1 0 289.401 -0.356 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001183044221 820968617 /nfs/dbraw/zinc/96/86/17/820968617.db2.gz FACNBZZHUKAVKK-CYBMUJFWSA-N 1 0 293.367 -0.292 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)CCC2=O)C1 ZINC001183046761 820968654 /nfs/dbraw/zinc/96/86/54/820968654.db2.gz BTXCWPKVUVSYHY-GFCCVEGCSA-N 1 0 291.351 -0.261 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCN(C)[C@@H](C(=O)OC)C1 ZINC001183044496 820969126 /nfs/dbraw/zinc/96/91/26/820969126.db2.gz IYFKTKJNFSQNQP-CYBMUJFWSA-N 1 0 295.383 -0.046 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055195 820969245 /nfs/dbraw/zinc/96/92/45/820969245.db2.gz UXNHQPOQXGWEPD-SECBINFHSA-N 1 0 274.752 -0.142 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001183080445 820972740 /nfs/dbraw/zinc/97/27/40/820972740.db2.gz REHXRANQVPENRN-LLVKDONJSA-N 1 0 272.370 -0.058 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001183091764 820974662 /nfs/dbraw/zinc/97/46/62/820974662.db2.gz NUXPSEOUFWXBJS-JTQLQIEISA-N 1 0 253.302 -0.137 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)n1cc(N)c(=O)nc1N ZINC001183091883 820974814 /nfs/dbraw/zinc/97/48/14/820974814.db2.gz PPEFWWILUJQFDQ-UHFFFAOYSA-N 1 0 263.301 -0.057 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222460 820983500 /nfs/dbraw/zinc/98/35/00/820983500.db2.gz NHTMFCADFRCNLM-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183435891 820994370 /nfs/dbraw/zinc/99/43/70/820994370.db2.gz GTKIOUSXYCXNCQ-CHWSQXEVSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183435915 820994909 /nfs/dbraw/zinc/99/49/09/820994909.db2.gz HSHOMMUORPSUDV-NEPJUHHUSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COCc2ccnn2C)C1 ZINC001183569579 821006972 /nfs/dbraw/zinc/00/69/72/821006972.db2.gz RPVVNCJMHSMNGC-GFCCVEGCSA-N 1 0 276.340 -0.240 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(C)=O)C[C@H]1C ZINC001183649691 821012908 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C#CC[NH2+]C[C@H]1CCN(C(=O)CN2CN=NC2=O)C[C@@H]1C ZINC001184250988 821062455 /nfs/dbraw/zinc/06/24/55/821062455.db2.gz NLVVIJVDRKAGKW-NWDGAFQWSA-N 1 0 291.355 -0.309 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184878056 821090559 /nfs/dbraw/zinc/09/05/59/821090559.db2.gz YZDGBRYINSWPNX-WDEREUQCSA-N 1 0 251.330 -0.288 20 30 CBEDRO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184373066 821072162 /nfs/dbraw/zinc/07/21/62/821072162.db2.gz XFQCQJGTGSKZPQ-WCQYABFASA-N 1 0 277.368 -0.041 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184400580 821073418 /nfs/dbraw/zinc/07/34/18/821073418.db2.gz YNYQLSUEBRHYDW-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC001184460135 821077074 /nfs/dbraw/zinc/07/70/74/821077074.db2.gz NMMSPHKIEWSEFA-RYUDHWBXSA-N 1 0 298.408 -0.262 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184500512 821078484 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QICUAPKUFOTGIE-GFCCVEGCSA-N 1 0 254.330 -0.401 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCCNC(=O)C(=C)C ZINC001251885012 825801253 /nfs/dbraw/zinc/80/12/53/825801253.db2.gz LVEQJHXBJXSUAH-GFCCVEGCSA-N 1 0 254.330 -0.331 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001251884831 825801286 /nfs/dbraw/zinc/80/12/86/825801286.db2.gz ICOAKIUQQZMLCZ-STQMWFEESA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001251888647 825801930 /nfs/dbraw/zinc/80/19/30/825801930.db2.gz XVBGPHRUHIQOFB-ILXRZTDVSA-N 1 0 279.336 -0.319 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001251888730 825801954 /nfs/dbraw/zinc/80/19/54/825801954.db2.gz ZLFSNHXISFLSCZ-KGLIPLIRSA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCc1c(C)[nH][nH]c1=O ZINC001251891197 825802086 /nfs/dbraw/zinc/80/20/86/825802086.db2.gz OBLWODHIPNOTQW-JTQLQIEISA-N 1 0 253.302 -0.433 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001251891131 825802100 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C#CCOC[C@H](O)C[NH2+]Cc1ccccc1-n1cnnn1 ZINC001251894179 825804160 /nfs/dbraw/zinc/80/41/60/825804160.db2.gz PZVQHUIOCGPQQA-CYBMUJFWSA-N 1 0 287.323 -0.237 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCOc1ccc(C(N)=O)cc1 ZINC001251894474 825804486 /nfs/dbraw/zinc/80/44/86/825804486.db2.gz UPYKFTNUKXWRCP-CYBMUJFWSA-N 1 0 292.335 -0.235 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)NCc1ccco1 ZINC001251891473 825804502 /nfs/dbraw/zinc/80/45/02/825804502.db2.gz TZRWROAKRAMJHF-LLVKDONJSA-N 1 0 266.297 -0.504 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001251893957 825804719 /nfs/dbraw/zinc/80/47/19/825804719.db2.gz NOPCWZSAUQQTQB-GFCCVEGCSA-N 1 0 285.340 -0.301 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1cncc(C(=O)OC)c1 ZINC001251897101 825804853 /nfs/dbraw/zinc/80/48/53/825804853.db2.gz SHPRISKZDLRAFF-ZDUSSCGKSA-N 1 0 278.308 -0.032 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cnn(CCF)c1 ZINC001251900605 825805281 /nfs/dbraw/zinc/80/52/81/825805281.db2.gz VPGDCHUULRRSCT-GFCCVEGCSA-N 1 0 255.293 -0.047 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001251897237 825805601 /nfs/dbraw/zinc/80/56/01/825805601.db2.gz WDAAURUJJMMJBG-QWHCGFSZSA-N 1 0 268.357 -0.156 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCCN(CC=C)C1=O ZINC001251897099 825805945 /nfs/dbraw/zinc/80/59/45/825805945.db2.gz SHHBUNXHAMJWRM-STQMWFEESA-N 1 0 266.341 -0.236 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001251896942 825806151 /nfs/dbraw/zinc/80/61/51/825806151.db2.gz QMYWUCUMFPREBB-OLZOCXBDSA-N 1 0 276.340 -0.344 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cc(OCCOC)ncn1 ZINC001251900299 825806359 /nfs/dbraw/zinc/80/63/59/825806359.db2.gz NMESLCRJGVYIMY-CYBMUJFWSA-N 1 0 295.339 -0.398 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H]1CCN(c2cc(C)ncn2)C1 ZINC001251897433 825806490 /nfs/dbraw/zinc/80/64/90/825806490.db2.gz YBBQCMXKDJJBMP-KGLIPLIRSA-N 1 0 290.367 -0.036 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)NCC(F)(F)F ZINC001251904079 825807058 /nfs/dbraw/zinc/80/70/58/825807058.db2.gz 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C=CCOC[C@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC001252488224 825872851 /nfs/dbraw/zinc/87/28/51/825872851.db2.gz IMFPTEYJMYULBF-CYBMUJFWSA-N 1 0 258.362 -0.404 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001252487565 825872926 /nfs/dbraw/zinc/87/29/26/825872926.db2.gz VQWPOUSKFRUUPZ-MNOVXSKESA-N 1 0 263.359 -0.426 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCN1CCC[C@@H](O)C1 ZINC001252490873 825873147 /nfs/dbraw/zinc/87/31/47/825873147.db2.gz CRSROLRWGKGOBW-CHWSQXEVSA-N 1 0 258.362 -0.404 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC001252487853 825873080 /nfs/dbraw/zinc/87/30/80/825873080.db2.gz AMIBWWFTOFJIKC-RYUDHWBXSA-N 1 0 292.401 -0.437 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001252490476 825873205 /nfs/dbraw/zinc/87/32/05/825873205.db2.gz AEVNVSCALSQETF-JOYOIKCWSA-N 1 0 256.302 -0.665 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CC(=O)NCC(F)(F)F ZINC001252497625 825873916 /nfs/dbraw/zinc/87/39/16/825873916.db2.gz VLYPXSIJCDEXJU-MRVPVSSYSA-N 1 0 270.251 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C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001267140171 827117303 /nfs/dbraw/zinc/11/73/03/827117303.db2.gz NKHLJHDJZFTHQE-MNOVXSKESA-N 1 0 251.330 -0.418 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)CCn1cnnn1 ZINC001267147648 827118219 /nfs/dbraw/zinc/11/82/19/827118219.db2.gz KWEZREXLQBPJED-GFCCVEGCSA-N 1 0 294.359 -0.803 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001267145827 827118367 /nfs/dbraw/zinc/11/83/67/827118367.db2.gz JJHREUXEXKVRTK-GHMZBOCLSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CC[NH2+][C@H](C)CCNC(=O)CCN1CCOCC1 ZINC001267148217 827118414 /nfs/dbraw/zinc/11/84/14/827118414.db2.gz POBCVPJPRNOQSU-CYBMUJFWSA-N 1 0 267.373 -0.174 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)CCn1cnnn1 ZINC001267147651 827118423 /nfs/dbraw/zinc/11/84/23/827118423.db2.gz KWEZREXLQBPJED-LBPRGKRZSA-N 1 0 294.359 -0.803 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1nonc1C ZINC001267155489 827118676 /nfs/dbraw/zinc/11/86/76/827118676.db2.gz IHDVXFHBNBCKAV-SECBINFHSA-N 1 0 295.343 -0.222 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)COC[C@H]1CCCO1 ZINC001267150186 827119242 /nfs/dbraw/zinc/11/92/42/827119242.db2.gz NVPZZLVTOCCXRQ-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001267152891 827119432 /nfs/dbraw/zinc/11/94/32/827119432.db2.gz WOVGJFMXWIRICY-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CCNC(=O)CN(C)CCNC(=O)[C@H](C)C1CC1 ZINC001267188570 827121561 /nfs/dbraw/zinc/12/15/61/827121561.db2.gz CFKNCLKGMMPXLI-LLVKDONJSA-N 1 0 265.357 -0.170 20 30 CBEDRO C=CCNC(=O)CN(C)CCNC(=O)c1nccnc1N ZINC001267188598 827122668 /nfs/dbraw/zinc/12/26/68/827122668.db2.gz CROPPXJHFTYERF-UHFFFAOYSA-N 1 0 292.343 -0.977 20 30 CBEDRO CC#CC[N@@H+](C)CCNC(=O)CCNC(=O)NC ZINC001267195213 827125135 /nfs/dbraw/zinc/12/51/35/827125135.db2.gz RSCWDIWFRWZDDL-UHFFFAOYSA-N 1 0 254.334 -0.623 20 30 CBEDRO C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267212976 827128555 /nfs/dbraw/zinc/12/85/55/827128555.db2.gz WUOYPCKRDTUUKN-JTQLQIEISA-N 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/nfs/dbraw/zinc/14/66/79/827146679.db2.gz OSAOPTUAUFSUTC-ZDUSSCGKSA-N 1 0 295.383 -0.270 20 30 CBEDRO C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCNC1=O ZINC001267315588 827147167 /nfs/dbraw/zinc/14/71/67/827147167.db2.gz OSEKAGFOVLFEBG-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001267305705 827147683 /nfs/dbraw/zinc/14/76/83/827147683.db2.gz NFORUVHJFAUYNP-LBPRGKRZSA-N 1 0 291.351 -0.403 20 30 CBEDRO COCC#CC[NH2+]CCN(C)C(=O)CNC(=O)OC ZINC001267349769 827153674 /nfs/dbraw/zinc/15/36/74/827153674.db2.gz FKAWCTNATMMJBE-UHFFFAOYSA-N 1 0 271.317 -0.960 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)OCC ZINC001267348822 827153867 /nfs/dbraw/zinc/15/38/67/827153867.db2.gz KASMGJXLDCUMGQ-NSHDSACASA-N 1 0 269.345 -0.791 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+]CCCN1C(=O)CNC1=O ZINC001267355051 827156546 /nfs/dbraw/zinc/15/65/46/827156546.db2.gz GKPPCNWHTSHVAR-SNVBAGLBSA-N 1 0 295.343 -0.864 20 30 CBEDRO CN(CC[NH2+]CCS(C)(=O)=O)C(=O)c1ccc(C#N)[nH]1 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C=CC[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001267379957 827162272 /nfs/dbraw/zinc/16/22/72/827162272.db2.gz FDNYCCPKAVXAMT-GFCCVEGCSA-N 1 0 283.372 -0.285 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)c1ccn(CCOC)n1 ZINC001267400685 827164884 /nfs/dbraw/zinc/16/48/84/827164884.db2.gz YVWCBTGKGOOLHI-UHFFFAOYSA-N 1 0 264.329 -0.176 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001267398734 827164979 /nfs/dbraw/zinc/16/49/79/827164979.db2.gz WTTQHENTGNDLCN-GFCCVEGCSA-N 1 0 280.372 -0.152 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001267408771 827166028 /nfs/dbraw/zinc/16/60/28/827166028.db2.gz MLTKINYYZGXTEQ-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001267414631 827167309 /nfs/dbraw/zinc/16/73/09/827167309.db2.gz LHLQMKCNLVWXIL-VIFPVBQESA-N 1 0 284.360 -0.170 20 30 CBEDRO C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001267419258 827168043 /nfs/dbraw/zinc/16/80/43/827168043.db2.gz KVHWKOATOPIYBQ-GFCCVEGCSA-N 1 0 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ZINC001268065629 827252224 /nfs/dbraw/zinc/25/22/24/827252224.db2.gz FHNVINLEMZMIGL-SNVBAGLBSA-N 1 0 277.390 -0.500 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCNC1=O ZINC001268069455 827252720 /nfs/dbraw/zinc/25/27/20/827252720.db2.gz UFTRPXKBOXMOHZ-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001268084268 827254578 /nfs/dbraw/zinc/25/45/78/827254578.db2.gz CGUXJKVOMAWMFQ-SECBINFHSA-N 1 0 296.327 -0.971 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001268086504 827255121 /nfs/dbraw/zinc/25/51/21/827255121.db2.gz XNUSHXSNQQODRD-LLVKDONJSA-N 1 0 298.387 -0.667 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268099344 827256608 /nfs/dbraw/zinc/25/66/08/827256608.db2.gz CVOWANUXUQVCLK-SECBINFHSA-N 1 0 280.328 -0.278 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)Cn1ncnn1)C1CCCCC1 ZINC001268121613 827257703 /nfs/dbraw/zinc/25/77/03/827257703.db2.gz STBJHNMSDQJHDD-ZDUSSCGKSA-N 1 0 290.371 -0.039 20 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JPYIXYVPWWJHSY-LBPRGKRZSA-N 1 0 298.387 -0.172 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001268247698 827270008 /nfs/dbraw/zinc/27/00/08/827270008.db2.gz NUFNRNQHUBNNNL-SNVBAGLBSA-N 1 0 252.318 -0.919 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268245387 827270934 /nfs/dbraw/zinc/27/09/34/827270934.db2.gz OIQPWRRHRZYZGT-WDNDVIMCSA-N 1 0 280.368 -0.081 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001268251349 827271288 /nfs/dbraw/zinc/27/12/88/827271288.db2.gz MGTHXZICWYOSFJ-MNOVXSKESA-N 1 0 251.330 -0.479 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)NC(C)=O ZINC001268252333 827272125 /nfs/dbraw/zinc/27/21/25/827272125.db2.gz AFBAQADEDZXQSG-UHFFFAOYSA-N 1 0 297.399 -0.059 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001268257341 827273281 /nfs/dbraw/zinc/27/32/81/827273281.db2.gz QDDUDGQMQYNRMY-UHFFFAOYSA-N 1 0 277.390 -0.498 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001268254440 827273603 /nfs/dbraw/zinc/27/36/03/827273603.db2.gz RBYKFRCEASBEIE-GFCCVEGCSA-N 1 0 280.372 -0.057 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001268257675 827273822 /nfs/dbraw/zinc/27/38/22/827273822.db2.gz ZDVVMASXGNJIIK-UHFFFAOYSA-N 1 0 267.329 -0.288 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CNC(=O)NC ZINC001268277992 827276753 /nfs/dbraw/zinc/27/67/53/827276753.db2.gz MDNDTLBEUMDPMR-NEPJUHHUSA-N 1 0 280.372 -0.187 20 30 CBEDRO C/C(=C\C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001268296021 827279584 /nfs/dbraw/zinc/27/95/84/827279584.db2.gz BYCLCCYMENOROT-GCZGVDRJSA-N 1 0 294.355 -0.951 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001268296311 827281358 /nfs/dbraw/zinc/28/13/58/827281358.db2.gz GNBJLTKROSJYLV-GXSJLCMTSA-N 1 0 265.317 -0.854 20 30 CBEDRO Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)CSCC#N ZINC001268297909 827281887 /nfs/dbraw/zinc/28/18/87/827281887.db2.gz HGGPZLWAFFCIOB-NSHDSACASA-N 1 0 297.384 -0.756 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cncs1 ZINC001268299883 827284068 /nfs/dbraw/zinc/28/40/68/827284068.db2.gz NWUQMVHLPLRFJW-JTQLQIEISA-N 1 0 283.353 -0.527 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001268299829 827284260 /nfs/dbraw/zinc/28/42/60/827284260.db2.gz FTOQFOAQZWUVJA-NEPJUHHUSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001268299250 827284650 /nfs/dbraw/zinc/28/46/50/827284650.db2.gz BRTWUIMEUGJPMH-CIQGVGRVSA-N 1 0 295.383 -0.599 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC=CC1 ZINC001268299904 827284686 /nfs/dbraw/zinc/28/46/86/827284686.db2.gz RNQPGZLGNJUTBA-GFCCVEGCSA-N 1 0 281.356 -0.679 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001268300465 827285867 /nfs/dbraw/zinc/28/58/67/827285867.db2.gz UWIATRHZNDDDJQ-IUCAKERBSA-N 1 0 268.342 -0.131 20 30 CBEDRO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CSCC#N)cn1 ZINC001268300316 827285924 /nfs/dbraw/zinc/28/59/24/827285924.db2.gz OFQJHPVZEIDNCS-LLVKDONJSA-N 1 0 297.384 -0.756 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(C)C ZINC001268303562 827286866 /nfs/dbraw/zinc/28/68/66/827286866.db2.gz GBQCPLIXNVCZJT-VXGBXAGGSA-N 1 0 268.357 -0.251 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001268304489 827288738 /nfs/dbraw/zinc/28/87/38/827288738.db2.gz MBMCTXYXVXJCML-GHMZBOCLSA-N 1 0 297.380 -0.252 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001268304492 827289101 /nfs/dbraw/zinc/28/91/01/827289101.db2.gz MBMCTXYXVXJCML-WDEREUQCSA-N 1 0 297.380 -0.252 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001268308993 827290859 /nfs/dbraw/zinc/29/08/59/827290859.db2.gz RBIFIUMBGZXROA-GJZGRUSLSA-N 1 0 293.411 -0.049 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001268308346 827291154 /nfs/dbraw/zinc/29/11/54/827291154.db2.gz LWBBEEJZQNSRBP-WCQYABFASA-N 1 0 288.351 -0.719 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001268308044 827291601 /nfs/dbraw/zinc/29/16/01/827291601.db2.gz KHDTVLVMNVWHCS-LLVKDONJSA-N 1 0 292.339 -0.883 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2ncnn21 ZINC001268312115 827292502 /nfs/dbraw/zinc/29/25/02/827292502.db2.gz BDINFHHDBDZFHD-JTQLQIEISA-N 1 0 273.296 -0.957 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001268312424 827292598 /nfs/dbraw/zinc/29/25/98/827292598.db2.gz FMBVMFWXFVNPKD-KGLIPLIRSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2[nH]ccc2n1 ZINC001268313481 827294185 /nfs/dbraw/zinc/29/41/85/827294185.db2.gz CPVAVRZAUHNRIG-SNVBAGLBSA-N 1 0 272.308 -0.124 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001268312786 827294210 /nfs/dbraw/zinc/29/42/10/827294210.db2.gz IWGZSQKLTCXZDX-JTQLQIEISA-N 1 0 280.328 -0.868 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001268314251 827294396 /nfs/dbraw/zinc/29/43/96/827294396.db2.gz YFLUHOMIMRQTTB-KBPBESRZSA-N 1 0 288.347 -0.062 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)CC ZINC001268315424 827295430 /nfs/dbraw/zinc/29/54/30/827295430.db2.gz BMYFTEBNZWVXHJ-LLVKDONJSA-N 1 0 285.388 -0.256 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001268315883 827295441 /nfs/dbraw/zinc/29/54/41/827295441.db2.gz ZGSXQEYFJDHPON-NSHDSACASA-N 1 0 283.303 -0.516 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)nn(C)c1C ZINC001268315917 827296113 /nfs/dbraw/zinc/29/61/13/827296113.db2.gz FJKNKUKDNRVOFC-GFCCVEGCSA-N 1 0 278.356 -0.259 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001268319554 827296709 /nfs/dbraw/zinc/29/67/09/827296709.db2.gz IVHMCXLPJCTBFB-QWHCGFSZSA-N 1 0 295.383 -0.475 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1coc(C(N)=O)c1 ZINC001268317405 827297236 /nfs/dbraw/zinc/29/72/36/827297236.db2.gz LYVZDFHFKJYDIK-SNVBAGLBSA-N 1 0 281.312 -0.365 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001268317586 827297281 /nfs/dbraw/zinc/29/72/81/827297281.db2.gz QXLIOQQPWITBKZ-NSHDSACASA-N 1 0 292.339 -0.497 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001268321157 827298612 /nfs/dbraw/zinc/29/86/12/827298612.db2.gz RJIBXFVLIFDWEQ-JQWIXIFHSA-N 1 0 258.293 -0.795 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001268322238 827300231 /nfs/dbraw/zinc/30/02/31/827300231.db2.gz CWSMDXDGTDPUBE-NSHDSACASA-N 1 0 252.318 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001268322223 827300482 /nfs/dbraw/zinc/30/04/82/827300482.db2.gz QZZPROQBUCMPNT-JTQLQIEISA-N 1 0 288.307 -0.017 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nc1C ZINC001268324076 827301894 /nfs/dbraw/zinc/30/18/94/827301894.db2.gz LIYGPQRZNJPIST-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268324712 827302021 /nfs/dbraw/zinc/30/20/21/827302021.db2.gz PSCXNCIBIMSPCJ-LBPRGKRZSA-N 1 0 279.340 -0.591 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C(F)F)c1 ZINC001268326674 827302748 /nfs/dbraw/zinc/30/27/48/827302748.db2.gz MNZAPPJFNGPGTD-JTQLQIEISA-N 1 0 286.282 -0.018 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(CC)nn1 ZINC001268327058 827302758 /nfs/dbraw/zinc/30/27/58/827302758.db2.gz PFLPMMQVQMVBRE-VIFPVBQESA-N 1 0 253.306 -0.836 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC ZINC001268326625 827303101 /nfs/dbraw/zinc/30/31/01/827303101.db2.gz YGNDZODWASUWMB-NWDGAFQWSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C#C)nc1 ZINC001268329998 827303971 /nfs/dbraw/zinc/30/39/71/827303971.db2.gz ADKRVPIMZWLSPL-ZDUSSCGKSA-N 1 0 257.293 -0.624 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1OC ZINC001268330921 827304123 /nfs/dbraw/zinc/30/41/23/827304123.db2.gz DLZOZXXXDSPSNY-JTQLQIEISA-N 1 0 282.344 -0.315 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1Cl ZINC001268329596 827304415 /nfs/dbraw/zinc/30/44/15/827304415.db2.gz VIZWFVWJVUBINN-MRVPVSSYSA-N 1 0 272.736 -0.060 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001268330083 827305047 /nfs/dbraw/zinc/30/50/47/827305047.db2.gz BWQNSQVZTSZUGX-UONOGXRCSA-N 1 0 297.399 -0.373 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001268330084 827305288 /nfs/dbraw/zinc/30/52/88/827305288.db2.gz BWQNSQVZTSZUGX-ZIAGYGMSSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cccc(OC)c1 ZINC001268331709 827306793 /nfs/dbraw/zinc/30/67/93/827306793.db2.gz JXYXXDLTANNNQP-CYBMUJFWSA-N 1 0 276.336 -0.062 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268335290 827308183 /nfs/dbraw/zinc/30/81/83/827308183.db2.gz RIRNGUQIURUPQN-ZIAGYGMSSA-N 1 0 281.400 -0.049 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001268335629 827308241 /nfs/dbraw/zinc/30/82/41/827308241.db2.gz WNJGVTYWSWRXFY-CYBMUJFWSA-N 1 0 289.335 -0.972 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(OCC)cn1 ZINC001268338453 827310103 /nfs/dbraw/zinc/31/01/03/827310103.db2.gz ODJDDXCBKOMENG-SNVBAGLBSA-N 1 0 278.312 -0.811 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001268345715 827312555 /nfs/dbraw/zinc/31/25/55/827312555.db2.gz QOCBGBJFGINAON-VXGBXAGGSA-N 1 0 299.371 -0.812 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cnns1 ZINC001268352455 827315309 /nfs/dbraw/zinc/31/53/09/827315309.db2.gz QSEFECZYZMTIJN-VIFPVBQESA-N 1 0 295.368 -0.615 20 30 CBEDRO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001268361951 827315745 /nfs/dbraw/zinc/31/57/45/827315745.db2.gz YNWZDVSJRALXKN-QMMMGPOBSA-N 1 0 263.301 -0.530 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCCN1CC ZINC001268377538 827317789 /nfs/dbraw/zinc/31/77/89/827317789.db2.gz KIEWFXDEFFCCLR-CHWSQXEVSA-N 1 0 267.373 -0.175 20 30 CBEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CNC(=O)NC ZINC001268370468 827318039 /nfs/dbraw/zinc/31/80/39/827318039.db2.gz JPOLAKCWVJXXDL-JTQLQIEISA-N 1 0 256.350 -0.024 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cnco1 ZINC001268382593 827319411 /nfs/dbraw/zinc/31/94/11/827319411.db2.gz CZHIKNHKTRZLCJ-JTQLQIEISA-N 1 0 278.312 -0.478 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001268386299 827319606 /nfs/dbraw/zinc/31/96/06/827319606.db2.gz XSNQECFZGSNMKI-SNVBAGLBSA-N 1 0 291.355 -0.434 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001268408664 827323976 /nfs/dbraw/zinc/32/39/76/827323976.db2.gz CHMWRHZVEPGTKF-SECBINFHSA-N 1 0 280.332 -0.795 20 30 CBEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001268425895 827325879 /nfs/dbraw/zinc/32/58/79/827325879.db2.gz NKLKUJXPUIGAGT-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001268425894 827326480 /nfs/dbraw/zinc/32/64/80/827326480.db2.gz NKLKUJXPUIGAGT-JTQLQIEISA-N 1 0 282.344 -0.401 20 30 CBEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001268426131 827326801 /nfs/dbraw/zinc/32/68/01/827326801.db2.gz PSQHTAFZDYMHDK-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1COCCO1 ZINC001268435930 827327412 /nfs/dbraw/zinc/32/74/12/827327412.db2.gz 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HQOQFCALCUVYDC-ARJAWSKDSA-N 1 0 259.256 -0.737 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccon1 ZINC001268515973 827350700 /nfs/dbraw/zinc/35/07/00/827350700.db2.gz HOPKXUHVFBJINZ-ONEGZZNKSA-N 1 0 278.312 -0.148 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)CNC(=O)CC ZINC001268521090 827351631 /nfs/dbraw/zinc/35/16/31/827351631.db2.gz FRVKGFARMLOIJH-SREVYHEPSA-N 1 0 251.330 -0.202 20 30 CBEDRO C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1COC(=O)N1 ZINC001268537379 827358814 /nfs/dbraw/zinc/35/88/14/827358814.db2.gz VUCMUTWIPSTRTF-ORAHPGNNSA-N 1 0 253.302 -0.067 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)C[C@H]1CCNC1=O ZINC001268546419 827361461 /nfs/dbraw/zinc/36/14/61/827361461.db2.gz AOUVGOZHGDMIQP-DLRQAJBASA-N 1 0 251.330 -0.039 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC(=O)N1 ZINC001268554714 827363648 /nfs/dbraw/zinc/36/36/48/827363648.db2.gz JRIVENURDLNMJI-QMAVJUDZSA-N 1 0 263.341 -0.060 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCCN1CC ZINC001268557947 827364071 /nfs/dbraw/zinc/36/40/71/827364071.db2.gz GXFBDVLYBNNMHM-AFNCTOJWSA-N 1 0 279.384 -0.008 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CN1CCCCS1(=O)=O ZINC001268568814 827366100 /nfs/dbraw/zinc/36/61/00/827366100.db2.gz ZTXQREFWJLCHGE-ONEGZZNKSA-N 1 0 299.396 -0.693 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001268564008 827367837 /nfs/dbraw/zinc/36/78/37/827367837.db2.gz HUYOENYRIOQDPN-QMAVJUDZSA-N 1 0 284.381 -0.294 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnco1 ZINC001268575180 827368341 /nfs/dbraw/zinc/36/83/41/827368341.db2.gz JQINPHOEIUFOPH-ONEGZZNKSA-N 1 0 278.312 -0.148 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001268582337 827371011 /nfs/dbraw/zinc/37/10/11/827371011.db2.gz HRYVJWLVKXWOSA-ZRUQZJFASA-N 1 0 263.341 -0.202 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001268585613 827374205 /nfs/dbraw/zinc/37/42/05/827374205.db2.gz BJHVRPUKPAYYTL-GXMNPTEKSA-N 1 0 263.341 -0.060 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ncccn1 ZINC001268608983 827377557 /nfs/dbraw/zinc/37/75/57/827377557.db2.gz QNTAISAKARKMJS-ONEGZZNKSA-N 1 0 289.339 -0.346 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001268602319 827377777 /nfs/dbraw/zinc/37/77/77/827377777.db2.gz ISFZJIQWAPXQKS-ARJAWSKDSA-N 1 0 285.307 -0.056 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1ccc(=O)n(C)n1 ZINC001268617740 827380517 /nfs/dbraw/zinc/38/05/17/827380517.db2.gz CAGNGTWXCPHRMS-PLNGDYQASA-N 1 0 260.297 -0.711 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)Cn1cncn1 ZINC001268621462 827381511 /nfs/dbraw/zinc/38/15/11/827381511.db2.gz WBBDVMGYDPWHFV-NSCUHMNNSA-N 1 0 277.328 -0.810 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CS(=O)(=O)CC ZINC001268630402 827383097 /nfs/dbraw/zinc/38/30/97/827383097.db2.gz KKBCPUDGYRNLFO-SREVYHEPSA-N 1 0 272.370 -0.294 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)c1cn(C)c(=O)n1C ZINC001268630361 827383218 /nfs/dbraw/zinc/38/32/18/827383218.db2.gz JQXUNPIKWWMTHI-VOTSOKGWSA-N 1 0 276.340 -0.377 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001268635413 827384269 /nfs/dbraw/zinc/38/42/69/827384269.db2.gz CITWVYOGEKCYIR-MRVPVSSYSA-N 1 0 258.713 -0.480 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC ZINC001268635692 827384524 /nfs/dbraw/zinc/38/45/24/827384524.db2.gz HOKAWZKYMQVOED-ZJUUUORDSA-N 1 0 284.360 -0.109 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1=COCCC1 ZINC001268639176 827385891 /nfs/dbraw/zinc/38/58/91/827385891.db2.gz GSNLOKFEIXJNSU-SNVBAGLBSA-N 1 0 280.328 -0.585 20 30 CBEDRO CC[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268638002 827386675 /nfs/dbraw/zinc/38/66/75/827386675.db2.gz BARDYNORPPIDAE-NXEZZACHSA-N 1 0 254.334 -0.233 20 30 CBEDRO C[C@H](C[NH2+]CCn1cncn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001268642260 827388425 /nfs/dbraw/zinc/38/84/25/827388425.db2.gz PZOFRBIXWYYFGG-SNVBAGLBSA-N 1 0 287.327 -0.114 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1 ZINC001268646099 827389926 /nfs/dbraw/zinc/38/99/26/827389926.db2.gz PBAKJATVINOBFL-SNVBAGLBSA-N 1 0 279.344 -0.600 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268644989 827391645 /nfs/dbraw/zinc/39/16/45/827391645.db2.gz RSNXGEAELNFUEF-GFCCVEGCSA-N 1 0 293.367 -0.111 20 30 CBEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C(N)=O ZINC001268660606 827395499 /nfs/dbraw/zinc/39/54/99/827395499.db2.gz SDMWAQFDVZKVFP-SECBINFHSA-N 1 0 260.297 -0.362 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001268662056 827395542 /nfs/dbraw/zinc/39/55/42/827395542.db2.gz VKXDCGXMRKIYQY-SNVBAGLBSA-N 1 0 274.324 -0.170 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268661918 827395815 /nfs/dbraw/zinc/39/58/15/827395815.db2.gz OPAMFXSOMKICEE-LLVKDONJSA-N 1 0 263.345 -0.135 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)nc1 ZINC001268670759 827397806 /nfs/dbraw/zinc/39/78/06/827397806.db2.gz IWPSQPRHLQGLHB-DGCLKSJQSA-N 1 0 291.351 -0.222 20 30 CBEDRO C=CCOc1cccnc1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001268669507 827398083 /nfs/dbraw/zinc/39/80/83/827398083.db2.gz RWRYPVAIGYJWCJ-SNVBAGLBSA-N 1 0 292.339 -0.160 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001268674387 827398949 /nfs/dbraw/zinc/39/89/49/827398949.db2.gz RVLDMMRPGAWWAM-SNVBAGLBSA-N 1 0 294.359 -0.563 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CCOCC1 ZINC001268677148 827399617 /nfs/dbraw/zinc/39/96/17/827399617.db2.gz QESNAVIMSXTYPP-NSHDSACASA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)COC ZINC001268676608 827400262 /nfs/dbraw/zinc/40/02/62/827400262.db2.gz YZYNVFNGBPKPJQ-VHSXEESVSA-N 1 0 257.334 -0.582 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnns1 ZINC001268678638 827401305 /nfs/dbraw/zinc/40/13/05/827401305.db2.gz LJPPXNXTCCAPES-IUCAKERBSA-N 1 0 297.384 -0.063 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001268681645 827402005 /nfs/dbraw/zinc/40/20/05/827402005.db2.gz HVBMWNBIOKJSDP-QWRGUYRKSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001268682960 827402030 /nfs/dbraw/zinc/40/20/30/827402030.db2.gz QLVWIHPRZIKSLW-UWVGGRQHSA-N 1 0 257.334 -0.582 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001268683309 827402738 /nfs/dbraw/zinc/40/27/38/827402738.db2.gz UZADCUYJASVZFO-VHSXEESVSA-N 1 0 255.318 -0.828 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C#CC1CC1 ZINC001268685433 827403929 /nfs/dbraw/zinc/40/39/29/827403929.db2.gz CBDQFBONKOAKKZ-NSHDSACASA-N 1 0 263.341 -0.204 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001268693589 827404878 /nfs/dbraw/zinc/40/48/78/827404878.db2.gz IRMMXPINCJOZAA-LBPRGKRZSA-N 1 0 282.388 -0.569 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC1(F)F ZINC001268691550 827405487 /nfs/dbraw/zinc/40/54/87/827405487.db2.gz CPPJOMVCUCGDDV-IUCAKERBSA-N 1 0 288.298 -0.234 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001268699711 827406595 /nfs/dbraw/zinc/40/65/95/827406595.db2.gz SDNUBOGDCHJNDF-SWLSCSKDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1(C)CCC1 ZINC001268699541 827406615 /nfs/dbraw/zinc/40/66/15/827406615.db2.gz JSYFHXBDQBDUDU-JTQLQIEISA-N 1 0 266.345 -0.089 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1n[nH]cc1F ZINC001268704240 827407062 /nfs/dbraw/zinc/40/70/62/827407062.db2.gz ZNJSDJDOLJDEDS-DTWKUNHWSA-N 1 0 295.318 -0.605 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001268707743 827407162 /nfs/dbraw/zinc/40/71/62/827407162.db2.gz JHSNETXPVCQBCI-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001268705645 827407488 /nfs/dbraw/zinc/40/74/88/827407488.db2.gz KNATYOZKPHSTCL-UWVGGRQHSA-N 1 0 277.390 -0.406 20 30 CBEDRO C=CCCn1cc(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O)nn1 ZINC001268708772 827407671 /nfs/dbraw/zinc/40/76/71/827407671.db2.gz LZFXXAPTCXJBRU-WDEREUQCSA-N 1 0 281.360 -0.057 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001268708803 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/nfs/dbraw/zinc/27/63/40/890276340.db2.gz KDZBMTDQNAEOJO-NSHDSACASA-N 1 0 272.349 -0.808 20 30 CBEDRO C#CCNC(=O)CN1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001346426316 890287539 /nfs/dbraw/zinc/28/75/39/890287539.db2.gz MMHYNTXODFOQJL-UHFFFAOYSA-N 1 0 294.399 -0.732 20 30 CBEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001346493318 890308386 /nfs/dbraw/zinc/30/83/86/890308386.db2.gz QWXGVTGRJDSVKV-DCAQKATOSA-N 1 0 282.344 -0.453 20 30 CBEDRO C#C[C@@H](C)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001346507806 890311173 /nfs/dbraw/zinc/31/11/73/890311173.db2.gz UICFZDDPLXUDSK-NEPJUHHUSA-N 1 0 252.362 -0.057 20 30 CBEDRO CCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCC[NH2+]C1 ZINC001346548738 890322465 /nfs/dbraw/zinc/32/24/65/890322465.db2.gz OTMPKOQXCDSPKJ-SNVBAGLBSA-N 1 0 262.317 -0.250 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001346567538 890326990 /nfs/dbraw/zinc/32/69/90/890326990.db2.gz SWMSQDOLJGENRF-SDDRHHMPSA-N 1 0 283.372 -0.240 20 30 CBEDRO C[NH+]1CCC(NC(=O)NCC(=O)NCC#N)CC1 ZINC001346629451 890334004 /nfs/dbraw/zinc/33/40/04/890334004.db2.gz DCXKCZDDQOZYBA-UHFFFAOYSA-N 1 0 253.306 -0.980 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC001347029336 890388387 /nfs/dbraw/zinc/38/83/87/890388387.db2.gz ZVFBUAUGLISBDF-JTQLQIEISA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])[C@@H](C)COC ZINC001347075352 890403731 /nfs/dbraw/zinc/40/37/31/890403731.db2.gz PEQMHTRAJXUGSC-ZJUUUORDSA-N 1 0 257.334 -0.501 20 30 CBEDRO C#CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001347098967 890410259 /nfs/dbraw/zinc/41/02/59/890410259.db2.gz UNYIYTZQZHRBOZ-UONOGXRCSA-N 1 0 276.384 -0.848 20 30 CBEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C#N)CC1 ZINC001347160083 890420963 /nfs/dbraw/zinc/42/09/63/890420963.db2.gz LVULCBAQNXRIGE-UHFFFAOYSA-N 1 0 266.345 -0.056 20 30 CBEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001347919418 890536457 /nfs/dbraw/zinc/53/64/57/890536457.db2.gz LGDPILWOBFCUID-JTQLQIEISA-N 1 0 290.327 -0.223 20 30 CBEDRO C#CCN1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001348199506 890572785 /nfs/dbraw/zinc/57/27/85/890572785.db2.gz GQHSWFXPJLLGMB-ILXRZTDVSA-N 1 0 290.411 -0.412 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001348319943 890596349 /nfs/dbraw/zinc/59/63/49/890596349.db2.gz INOIEFFQRAQGID-QWRGUYRKSA-N 1 0 267.329 -0.991 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001348342558 890603517 /nfs/dbraw/zinc/60/35/17/890603517.db2.gz CXSGGGIMSKWZGO-SDDRHHMPSA-N 1 0 279.340 -0.896 20 30 CBEDRO N#CC1(C[C@H](O)C[NH2+]CCOCCO)CCOCC1 ZINC001348447116 890626084 /nfs/dbraw/zinc/62/60/84/890626084.db2.gz NBPUEVZZSCOVOH-LBPRGKRZSA-N 1 0 272.345 -0.344 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C#N)CC1 ZINC001348446514 890626707 /nfs/dbraw/zinc/62/67/07/890626707.db2.gz HOSAINDOBIESRO-VIFPVBQESA-N 1 0 252.318 -0.446 20 30 CBEDRO CC#CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348748943 890695980 /nfs/dbraw/zinc/69/59/80/890695980.db2.gz HTJLBNVDTSFXAO-DZGCQCFKSA-N 1 0 295.383 -0.075 20 30 CBEDRO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001348799593 890700726 /nfs/dbraw/zinc/70/07/26/890700726.db2.gz JHIXDIXKTRDAHF-SNVBAGLBSA-N 1 0 289.339 -0.316 20 30 CBEDRO C#CCN(CC#CC)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349064688 890755729 /nfs/dbraw/zinc/75/57/29/890755729.db2.gz KRXVJKDFACKSFS-KBPBESRZSA-N 1 0 259.353 -0.140 20 30 CBEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccnc1 ZINC001349073780 890756188 /nfs/dbraw/zinc/75/61/88/890756188.db2.gz AJONXYDSEHJNPR-GFCCVEGCSA-N 1 0 289.339 -0.051 20 30 CBEDRO C#CC1(O)CN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001349455198 890817907 /nfs/dbraw/zinc/81/79/07/890817907.db2.gz HRUSBALLBOFTQK-VXGBXAGGSA-N 1 0 280.372 -0.990 20 30 CBEDRO CN1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001349473614 890820004 /nfs/dbraw/zinc/82/00/04/890820004.db2.gz NSTXGFKHEKAYSU-LBPRGKRZSA-N 1 0 295.387 -0.712 20 30 CBEDRO C=CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001349532800 890833577 /nfs/dbraw/zinc/83/35/77/890833577.db2.gz AAXHNMKLLZGTNH-UHFFFAOYSA-N 1 0 265.317 -0.315 20 30 CBEDRO C#CCn1cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cn1 ZINC001349744174 890878709 /nfs/dbraw/zinc/87/87/09/890878709.db2.gz LHLHMEXGOWYQCB-TZMCWYRMSA-N 1 0 287.367 -0.479 20 30 CBEDRO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001349822366 890901656 /nfs/dbraw/zinc/90/16/56/890901656.db2.gz HOMCZQZEOYNDTF-VXGBXAGGSA-N 1 0 296.371 -0.239 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001350018778 890924193 /nfs/dbraw/zinc/92/41/93/890924193.db2.gz FVZCJUFNYJQFNC-MNOVXSKESA-N 1 0 267.329 -0.862 20 30 CBEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@H](CO)[C@H](O)C2)CCC1 ZINC001350086795 890934044 /nfs/dbraw/zinc/93/40/44/890934044.db2.gz VJHLORDDEBMISR-GRYCIOLGSA-N 1 0 254.330 -0.284 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001350297248 890958879 /nfs/dbraw/zinc/95/88/79/890958879.db2.gz RZSKAEIZISAUFB-GHMZBOCLSA-N 1 0 269.345 -0.309 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC001350346999 890967971 /nfs/dbraw/zinc/96/79/71/890967971.db2.gz ZOWRJEIQPYOFNG-NWDGAFQWSA-N 1 0 283.372 -0.109 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001350707138 891029324 /nfs/dbraw/zinc/02/93/24/891029324.db2.gz NNECJHBHKYUOBK-HNNXBMFYSA-N 1 0 297.399 -0.600 20 30 CBEDRO C=C[C@](C)(O)C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001350728401 891031489 /nfs/dbraw/zinc/03/14/89/891031489.db2.gz MFYMQISFXSEAAG-ZDUSSCGKSA-N 1 0 253.346 -0.618 20 30 CBEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001351581443 891159217 /nfs/dbraw/zinc/15/92/17/891159217.db2.gz KDPCGIQRGXYRIU-SBMIAAHKSA-N 1 0 268.292 -0.683 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001351857561 891200001 /nfs/dbraw/zinc/20/00/01/891200001.db2.gz FIJWJZCBXBPBKN-LLVKDONJSA-N 1 0 291.355 -0.005 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001352535908 891269400 /nfs/dbraw/zinc/26/94/00/891269400.db2.gz MDWKQZHHTNTYOX-DZGCQCFKSA-N 1 0 279.384 -0.391 20 30 CBEDRO C=CCCn1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)nn1 ZINC001352548279 891272264 /nfs/dbraw/zinc/27/22/64/891272264.db2.gz BWNCEISBKKIJGA-AWEZNQCLSA-N 1 0 293.371 -0.007 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC001352835855 891305297 /nfs/dbraw/zinc/30/52/97/891305297.db2.gz ZFTZWLZGJKUKPP-NXEZZACHSA-N 1 0 258.343 -0.182 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCCn2cnccc2=O)CC1 ZINC001352899923 891319907 /nfs/dbraw/zinc/31/99/07/891319907.db2.gz HYSZVMHFUWCJLQ-UHFFFAOYSA-N 1 0 288.351 -0.295 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001352944575 891328323 /nfs/dbraw/zinc/32/83/23/891328323.db2.gz MJAHLPNKXCVLNJ-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001353118074 891362618 /nfs/dbraw/zinc/36/26/18/891362618.db2.gz DHFHCGQAURFKCI-HBNTYKKESA-N 1 0 267.329 -0.686 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001353135535 891364914 /nfs/dbraw/zinc/36/49/14/891364914.db2.gz ZBZRZRAIRVIJTH-VXGBXAGGSA-N 1 0 265.357 -0.041 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC001353193377 891381364 /nfs/dbraw/zinc/38/13/64/891381364.db2.gz HGMTZDCVCHXWPF-UHFFFAOYSA-N 1 0 293.367 -0.693 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001353240600 891388479 /nfs/dbraw/zinc/38/84/79/891388479.db2.gz WPQOJMLJJVBKGT-SMDDNHRTSA-N 1 0 281.356 -0.627 20 30 CBEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC001353299030 891396380 /nfs/dbraw/zinc/39/63/80/891396380.db2.gz BQVFVIRUWZIQOB-GRYCIOLGSA-N 1 0 268.361 -0.693 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC001353393665 891419975 /nfs/dbraw/zinc/41/99/75/891419975.db2.gz UAZMUQBIPPYLMS-JTQLQIEISA-N 1 0 275.374 -0.280 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCN(CC(=O)NC)CC1 ZINC001353678704 891459365 /nfs/dbraw/zinc/45/93/65/891459365.db2.gz QVKDHHKGHHWXFJ-GFCCVEGCSA-N 1 0 282.388 -0.440 20 30 CBEDRO COCC#CC(=O)N1CCN(CCCCCO)CC1 ZINC001354111803 891518061 /nfs/dbraw/zinc/51/80/61/891518061.db2.gz SXWHYCCOVCQSOW-UHFFFAOYSA-N 1 0 268.357 -0.057 20 30 CBEDRO C=CCOCC(=O)NC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001354298176 891559676 /nfs/dbraw/zinc/55/96/76/891559676.db2.gz ILBMVKIDQXIWRX-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO N#CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2O)CCSCC1 ZINC001354330815 891565538 /nfs/dbraw/zinc/56/55/38/891565538.db2.gz PEWHEHMASVRUID-DTWKUNHWSA-N 1 0 255.343 -0.528 20 30 CBEDRO C#CCOCCC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001354390981 891574185 /nfs/dbraw/zinc/57/41/85/891574185.db2.gz RAXHKDHJFIEIOT-STQMWFEESA-N 1 0 295.383 -0.401 20 30 CBEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001354474867 891586227 /nfs/dbraw/zinc/58/62/27/891586227.db2.gz OZUBQDOGLGSBQI-QWRGUYRKSA-N 1 0 266.345 -0.056 20 30 CBEDRO C#CC1(O)CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001354857634 891624470 /nfs/dbraw/zinc/62/44/70/891624470.db2.gz HHCIRBIYTVXHOK-GFCCVEGCSA-N 1 0 269.341 -0.651 20 30 CBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001354893034 891627856 /nfs/dbraw/zinc/62/78/56/891627856.db2.gz UAAKLOOCVCYAOJ-DZGCQCFKSA-N 1 0 283.368 -0.261 20 30 CBEDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cn1cnc(C#N)n1 ZINC001354894456 891628497 /nfs/dbraw/zinc/62/84/97/891628497.db2.gz XHMQJRITDRPRIK-LPEHRKFASA-N 1 0 262.317 -0.253 20 30 CBEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001354977319 891634121 /nfs/dbraw/zinc/63/41/21/891634121.db2.gz CALHTLWJQPJUQA-NWDGAFQWSA-N 1 0 268.357 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC001354988824 891635278 /nfs/dbraw/zinc/63/52/78/891635278.db2.gz CLCXVGGTIVXOED-GFCCVEGCSA-N 1 0 266.341 -0.258 20 30 CBEDRO CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CSCC#N ZINC001355519038 891687343 /nfs/dbraw/zinc/68/73/43/891687343.db2.gz TWMZQYKVNVEASH-NSHDSACASA-N 1 0 298.412 -0.088 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC001355546883 891690449 /nfs/dbraw/zinc/69/04/49/891690449.db2.gz JBZFAZKSJKJPLR-JTQLQIEISA-N 1 0 275.312 -0.900 20 30 CBEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001356089723 891725244 /nfs/dbraw/zinc/72/52/44/891725244.db2.gz DZVXJGBXJOJAIU-BREBYQMCSA-N 1 0 280.328 -0.924 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCn1ccnn1 ZINC001356532142 891777711 /nfs/dbraw/zinc/77/77/11/891777711.db2.gz IULMWMKDZFIDEF-NSHDSACASA-N 1 0 252.322 -0.926 20 30 CBEDRO CCNC(=O)NCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001356596101 891778958 /nfs/dbraw/zinc/77/89/58/891778958.db2.gz MVKJCIYYMGPUAX-SNVBAGLBSA-N 1 0 254.334 -0.050 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCN1C[C@@H](C)OC[C@H]1C ZINC001356620230 891782534 /nfs/dbraw/zinc/78/25/34/891782534.db2.gz VZYLVAHKDNBGLE-CHWSQXEVSA-N 1 0 267.373 -0.175 20 30 CBEDRO C=CCCOCC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001356770634 891805660 /nfs/dbraw/zinc/80/56/60/891805660.db2.gz NOAXAJJGEYGIPF-LBPRGKRZSA-N 1 0 295.383 -0.142 20 30 CBEDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)sn1 ZINC001357446652 891893070 /nfs/dbraw/zinc/89/30/70/891893070.db2.gz TZYLRKYNTIYOIL-RNFRBKRXSA-N 1 0 252.299 -0.007 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001357435424 891895459 /nfs/dbraw/zinc/89/54/59/891895459.db2.gz RNUDXPANZRPKBO-NEPJUHHUSA-N 1 0 268.361 -0.466 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC001357487217 891903705 /nfs/dbraw/zinc/90/37/05/891903705.db2.gz QBUYLJAARGTRTO-UHFFFAOYSA-N 1 0 263.341 -0.320 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001357599537 891916308 /nfs/dbraw/zinc/91/63/08/891916308.db2.gz CUTORGCRTQQUOS-GXTWGEPZSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001358095109 891971457 /nfs/dbraw/zinc/97/14/57/891971457.db2.gz DSRDCRQPUHNVFQ-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C[C@H](CNC(=O)C#CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001358171543 891979931 /nfs/dbraw/zinc/97/99/31/891979931.db2.gz YRUKXHOJBMGYHF-YPMHNXCESA-N 1 0 277.368 -0.028 20 30 CBEDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)NCC#N ZINC001358228067 891982710 /nfs/dbraw/zinc/98/27/10/891982710.db2.gz MSVWOSLDPOYZQO-LLVKDONJSA-N 1 0 266.345 -0.137 20 30 CBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)CC[NH+](C)C ZINC001358357893 891997503 /nfs/dbraw/zinc/99/75/03/891997503.db2.gz AZANWIQMGOCLKF-VHSXEESVSA-N 1 0 254.334 -0.281 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC2(CNC(=O)O2)CC1 ZINC001358294792 891988757 /nfs/dbraw/zinc/98/87/57/891988757.db2.gz HYONVMGZVCHPEE-UHFFFAOYSA-N 1 0 251.286 -0.690 20 30 CBEDRO C=CCOCC(=O)N(C)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001358722702 892049543 /nfs/dbraw/zinc/04/95/43/892049543.db2.gz OPNXEBJWFRLOCN-ZDUSSCGKSA-N 1 0 295.383 -0.048 20 30 CBEDRO N#Cc1ncc(N2CCC[N@@H+](CCO)CC2)nc1C#N ZINC001363153936 893410453 /nfs/dbraw/zinc/41/04/53/893410453.db2.gz WBZFTOXNBXSDMN-UHFFFAOYSA-N 1 0 272.312 -0.276 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CCOCC1 ZINC001363222802 893473528 /nfs/dbraw/zinc/47/35/28/893473528.db2.gz NLHZWYFGUITQLE-RWMBFGLXSA-N 1 0 284.356 -0.515 20 30 CBEDRO CNC(=O)CN1CCCN(c2ncncc2C#N)CC1 ZINC001363747466 893959547 /nfs/dbraw/zinc/95/95/47/893959547.db2.gz BMHXFVNONFPWMC-UHFFFAOYSA-N 1 0 274.328 -0.394 20 30 CBEDRO CC(C)[NH+]1CCC(NC(=O)CN2CC(O)(CC#N)C2)CC1 ZINC001363777751 893981088 /nfs/dbraw/zinc/98/10/88/893981088.db2.gz HYCLOEJLJASKGG-UHFFFAOYSA-N 1 0 294.399 -0.064 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC001363790885 893994942 /nfs/dbraw/zinc/99/49/42/893994942.db2.gz DWYCGCHUKHSFGD-ZJUUUORDSA-N 1 0 273.358 -0.596 20 30 CBEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001363790877 893997041 /nfs/dbraw/zinc/99/70/41/893997041.db2.gz DWYCGCHUKHSFGD-VHSXEESVSA-N 1 0 273.358 -0.596 20 30 CBEDRO CNC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001363800898 894008150 /nfs/dbraw/zinc/00/81/50/894008150.db2.gz 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CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)C#N ZINC001367421430 895636355 /nfs/dbraw/zinc/63/63/55/895636355.db2.gz YRALSIZLSMAKDA-ZJUUUORDSA-N 1 0 297.359 -0.539 20 30 CBEDRO CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001367583351 895680956 /nfs/dbraw/zinc/68/09/56/895680956.db2.gz QAYSKTUILUMEDJ-MNOVXSKESA-N 1 0 298.387 -0.482 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001367610800 895699737 /nfs/dbraw/zinc/69/97/37/895699737.db2.gz SRZRCYBOKFZLNC-SSDOTTSWSA-N 1 0 276.699 -0.018 20 30 CBEDRO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001367647832 895722445 /nfs/dbraw/zinc/72/24/45/895722445.db2.gz SVPBRNGAWIUMIR-GXSJLCMTSA-N 1 0 289.339 -0.127 20 30 CBEDRO COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001367792297 895811770 /nfs/dbraw/zinc/81/17/70/895811770.db2.gz FEVGGBNDFFAYAR-CMPLNLGQSA-N 1 0 294.355 -0.056 20 30 CBEDRO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001368329294 895982164 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CBEDRO CCn1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001369454655 896278179 /nfs/dbraw/zinc/27/81/79/896278179.db2.gz XFTGYXJOFAWHGQ-AAEUAGOBSA-N 1 0 293.371 -0.028 20 30 CBEDRO COCC[N@H+](CCNC(=O)c1ccc(C#N)[nH]1)C[C@@H](C)O ZINC001369548664 896314256 /nfs/dbraw/zinc/31/42/56/896314256.db2.gz HHJNRHYITBEIQB-LLVKDONJSA-N 1 0 294.355 -0.055 20 30 CBEDRO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001371029633 896537929 /nfs/dbraw/zinc/53/79/29/896537929.db2.gz SNOWKEFVMPKLLZ-NWDGAFQWSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001371029632 896538241 /nfs/dbraw/zinc/53/82/41/896538241.db2.gz SNOWKEFVMPKLLZ-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]CC(=O)Nc1nncs1 ZINC001371146014 896557131 /nfs/dbraw/zinc/55/71/31/896557131.db2.gz YXBPFNXPAHSKPL-SFYZADRCSA-N 1 0 296.356 -0.269 20 30 CBEDRO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CCn1cncn1 ZINC001371168980 896566146 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CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)[C@H](C)C#N ZINC001374709399 897353157 /nfs/dbraw/zinc/35/31/57/897353157.db2.gz HVHWRNRRCIODJZ-RKDXNWHRSA-N 1 0 283.332 -0.832 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H](C)C#N ZINC001374736362 897361707 /nfs/dbraw/zinc/36/17/07/897361707.db2.gz BEBHAMBNTIEIBR-DTWKUNHWSA-N 1 0 295.343 -0.771 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001374748475 897369593 /nfs/dbraw/zinc/36/95/93/897369593.db2.gz CSXCZGJFJPZHML-JQWIXIFHSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1ncnn1 ZINC001374758475 897376284 /nfs/dbraw/zinc/37/62/84/897376284.db2.gz ZXQNALIJKHVVHE-LLVKDONJSA-N 1 0 299.338 -0.161 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001374965508 897443187 /nfs/dbraw/zinc/44/31/87/897443187.db2.gz QMERIJSLRAGCEI-VIFPVBQESA-N 1 0 297.808 -0.275 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@H](C)C#N)C1CC1 ZINC001375210837 897495725 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CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001375863780 897615786 /nfs/dbraw/zinc/61/57/86/897615786.db2.gz UFWQRVOUDCAKLR-GXSJLCMTSA-N 1 0 289.339 -0.175 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001376364913 897720689 /nfs/dbraw/zinc/72/06/89/897720689.db2.gz VAUOXXLAOFSKJV-IJLUTSLNSA-N 1 0 292.339 -0.256 20 30 CBEDRO C[C@H](C#N)C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001376532698 897770781 /nfs/dbraw/zinc/77/07/81/897770781.db2.gz BPQWVFOHTDCFFO-GHMZBOCLSA-N 1 0 284.360 -0.967 20 30 CBEDRO CCC[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001376656367 897794821 /nfs/dbraw/zinc/79/48/21/897794821.db2.gz AMAJCEWHTOKLHX-WDEREUQCSA-N 1 0 284.360 -0.919 20 30 CBEDRO C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ccc(C#N)cc1 ZINC001376698510 897810456 /nfs/dbraw/zinc/81/04/56/897810456.db2.gz UXPRNFNDXWFGFE-LLVKDONJSA-N 1 0 299.338 -0.161 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCn1cnnn1 ZINC001376842630 897867455 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C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001378850899 898424712 /nfs/dbraw/zinc/42/47/12/898424712.db2.gz GGWOFPSGLGHGJG-VIFPVBQESA-N 1 0 297.808 -0.275 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001379191815 898496030 /nfs/dbraw/zinc/49/60/30/898496030.db2.gz ULNKLHZPOICRTF-SKDRFNHKSA-N 1 0 280.303 -0.053 20 30 CBEDRO COc1nccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)n1 ZINC001379192565 898496231 /nfs/dbraw/zinc/49/62/31/898496231.db2.gz XGNNZHRRWOMURE-KOLCDFICSA-N 1 0 293.327 -0.788 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 ZINC001379189904 898496635 /nfs/dbraw/zinc/49/66/35/898496635.db2.gz OXSCDHJGVGZSGF-JOYOIKCWSA-N 1 0 277.328 -0.489 20 30 CBEDRO C[N@H+](CC(=O)N1CCN(CCC#N)CC1)[C@@H]1CCC[C@H]1O ZINC001454907018 914264329 /nfs/dbraw/zinc/26/43/29/914264329.db2.gz LDBKXZSNZSNFPX-ZIAGYGMSSA-N 1 0 294.399 -0.111 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001379355616 898571149 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C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001381383008 899042979 /nfs/dbraw/zinc/04/29/79/899042979.db2.gz RHMKGMYMLQSVAR-BDAKNGLRSA-N 1 0 272.740 -0.092 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](C)[N@H+](C)CCN1CCNC1=O ZINC001381508297 899063019 /nfs/dbraw/zinc/06/30/19/899063019.db2.gz JEWKZBRXGUJCHS-MNOVXSKESA-N 1 0 281.360 -0.392 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001382063841 899148917 /nfs/dbraw/zinc/14/89/17/899148917.db2.gz YIHXVZRGAMDHCU-UWVGGRQHSA-N 1 0 275.374 -0.373 20 30 CBEDRO CC[N@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001384258663 899503239 /nfs/dbraw/zinc/50/32/39/899503239.db2.gz ZGHUDCFMPBQBCV-NWDGAFQWSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1O ZINC001384742659 899526967 /nfs/dbraw/zinc/52/69/67/899526967.db2.gz LURFHWSXBYTJGY-IJLUTSLNSA-N 1 0 296.371 -0.824 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)[nH]1 ZINC001389611573 900048875 /nfs/dbraw/zinc/04/88/75/900048875.db2.gz KPXOLJPMVBNKJN-LLVKDONJSA-N 1 0 275.312 -0.530 20 30 CBEDRO C[C@@H](CNC(=O)Cn1ncnn1)[NH2+]Cc1ccccc1C#N ZINC001390384941 900150966 /nfs/dbraw/zinc/15/09/66/900150966.db2.gz PJHDLGDTLGMTBH-NSHDSACASA-N 1 0 299.338 -0.161 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001390526746 900184609 /nfs/dbraw/zinc/18/46/09/900184609.db2.gz BHBCKGJEMBVAJL-BDAKNGLRSA-N 1 0 295.792 -0.475 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001390656563 900206420 /nfs/dbraw/zinc/20/64/20/900206420.db2.gz VPMCRJZCUDSCBX-CMPLNLGQSA-N 1 0 294.355 -0.008 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cn1cnnn1 ZINC001391657283 900425580 /nfs/dbraw/zinc/42/55/80/900425580.db2.gz JSERIWZBNGDSJG-SECBINFHSA-N 1 0 272.740 -0.090 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cn1ncnn1 ZINC001391691279 900431952 /nfs/dbraw/zinc/43/19/52/900431952.db2.gz KCXKPNCUVQQQNG-VIFPVBQESA-N 1 0 272.740 -0.090 20 30 CBEDRO C[C@H](CNC(=O)[C@H](C)C#N)C[NH2+]CC(=O)N1CCOCC1 ZINC001391879584 900456899 /nfs/dbraw/zinc/45/68/99/900456899.db2.gz KXXVBKQRNKPWEJ-NWDGAFQWSA-N 1 0 296.371 -0.653 20 30 CBEDRO COC[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001391889620 900461492 /nfs/dbraw/zinc/46/14/92/900461492.db2.gz BVCCFFSMLOEFNI-ZYHUDNBSSA-N 1 0 294.355 -0.151 20 30 CBEDRO C=C(Br)C[NH2+]C[C@H](O)CNC(=O)COCC ZINC001392352531 900578389 /nfs/dbraw/zinc/57/83/89/900578389.db2.gz QVZMKICZCOKYGJ-VIFPVBQESA-N 1 0 295.177 -0.002 20 30 CBEDRO C[C@H](C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)n1cnc(C#N)n1 ZINC001456292352 914456483 /nfs/dbraw/zinc/45/64/83/914456483.db2.gz BFVJILSCOUMDPV-NXEZZACHSA-N 1 0 290.327 -0.700 20 30 CBEDRO CC[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1)OC ZINC001392365776 900587096 /nfs/dbraw/zinc/58/70/96/900587096.db2.gz KNOICHCZAYVRSM-VXGBXAGGSA-N 1 0 294.355 -0.008 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001392375029 900592969 /nfs/dbraw/zinc/59/29/69/900592969.db2.gz HRCALRFOPOSUQA-NHCYSSNCSA-N 1 0 274.748 -0.158 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)Nc1ccon1)NC(=O)[C@@H](C)C#N ZINC001392463536 900625417 /nfs/dbraw/zinc/62/54/17/900625417.db2.gz BIGWVQNMUJNUDZ-DTWKUNHWSA-N 1 0 279.300 -0.133 20 30 CBEDRO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001392472580 900629426 /nfs/dbraw/zinc/62/94/26/900629426.db2.gz XRBOHIOFVANAKM-MWLCHTKSSA-N 1 0 289.339 -0.175 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001392777294 900725345 /nfs/dbraw/zinc/72/53/45/900725345.db2.gz RZSZMSNFCQTMMO-GFCCVEGCSA-N 1 0 289.339 -0.270 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001393033953 900780978 /nfs/dbraw/zinc/78/09/78/900780978.db2.gz JFCUUSGQMAEGTM-NEPJUHHUSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001393033960 900782127 /nfs/dbraw/zinc/78/21/27/900782127.db2.gz JFCUUSGQMAEGTM-RYUDHWBXSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC001393891613 900926416 /nfs/dbraw/zinc/92/64/16/900926416.db2.gz JFPUMDHHCWZKRX-KPPDAEKUSA-N 1 0 276.344 -0.041 20 30 CBEDRO C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+][C@H](C)C(N)=O ZINC001394468724 901031668 /nfs/dbraw/zinc/03/16/68/901031668.db2.gz JZDLKXRYAHZPDY-RKDXNWHRSA-N 1 0 277.328 -0.190 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001394729855 901128823 /nfs/dbraw/zinc/12/88/23/901128823.db2.gz JMMIJYAQAJTZMI-NWDGAFQWSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001396013093 901290955 /nfs/dbraw/zinc/29/09/55/901290955.db2.gz KIAFZSZIVMKSGQ-NEPJUHHUSA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001396013096 901291063 /nfs/dbraw/zinc/29/10/63/901291063.db2.gz KIAFZSZIVMKSGQ-NWDGAFQWSA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001397631603 901442692 /nfs/dbraw/zinc/44/26/92/901442692.db2.gz VULXOVKSKHOIES-IJLUTSLNSA-N 1 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901630873 /nfs/dbraw/zinc/63/08/73/901630873.db2.gz XKMMKJMGLFBCDX-JOYOIKCWSA-N 1 0 280.328 -0.398 20 30 CBEDRO C[C@@H]([NH2+][C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001399301312 901694716 /nfs/dbraw/zinc/69/47/16/901694716.db2.gz KGULKKNYOJOPMV-DTWKUNHWSA-N 1 0 277.328 -0.142 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001399905981 901833614 /nfs/dbraw/zinc/83/36/14/901833614.db2.gz SMNKVAGXBGYFFJ-NWDGAFQWSA-N 1 0 276.344 -0.124 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001399905992 901833625 /nfs/dbraw/zinc/83/36/25/901833625.db2.gz SMNKVAGXBGYFFJ-VXGBXAGGSA-N 1 0 276.344 -0.124 20 30 CBEDRO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001400050075 901862870 /nfs/dbraw/zinc/86/28/70/901862870.db2.gz DOUIMDFITALTOV-GFCCVEGCSA-N 1 0 289.339 -0.221 20 30 CBEDRO CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 ZINC001400047383 901864115 /nfs/dbraw/zinc/86/41/15/901864115.db2.gz BPLMWDGRWUMPGP-SNVBAGLBSA-N 1 0 275.312 -0.564 20 30 CBEDRO 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SYYQUDIXSCKGPE-LLVKDONJSA-N 1 0 292.339 -0.591 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001482319308 917125351 /nfs/dbraw/zinc/12/53/51/917125351.db2.gz ZYFOILZWYRZJNV-NWDGAFQWSA-N 1 0 283.372 -0.416 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001482317892 917125444 /nfs/dbraw/zinc/12/54/44/917125444.db2.gz SOOOSAQJFGZZHE-VXGBXAGGSA-N 1 0 296.371 -0.904 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001482319818 917126935 /nfs/dbraw/zinc/12/69/35/917126935.db2.gz BQWKMMBOEFBPHR-QWRGUYRKSA-N 1 0 251.330 -0.466 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001482342066 917130084 /nfs/dbraw/zinc/13/00/84/917130084.db2.gz CYHROJDGHKTJOR-JTQLQIEISA-N 1 0 265.317 -0.495 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1ncc[nH]1 ZINC001482350353 917135203 /nfs/dbraw/zinc/13/52/03/917135203.db2.gz ZFNSEFSLYRVQHE-SNVBAGLBSA-N 1 0 292.343 -0.972 20 30 CBEDRO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1nnn(C)n1 ZINC001482390333 917142954 /nfs/dbraw/zinc/14/29/54/917142954.db2.gz CQQUIPRTZXKJOH-NSHDSACASA-N 1 0 278.360 -0.033 20 30 CBEDRO COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001482394939 917144002 /nfs/dbraw/zinc/14/40/02/917144002.db2.gz YVVHNCLMFUTYJD-NSHDSACASA-N 1 0 269.345 -0.758 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001482430890 917147188 /nfs/dbraw/zinc/14/71/88/917147188.db2.gz FWGVSTSTRPNQEB-DGCLKSJQSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001482590847 917168417 /nfs/dbraw/zinc/16/84/17/917168417.db2.gz VWJNABBHWQPWFK-LLVKDONJSA-N 1 0 252.314 -0.037 20 30 CBEDRO CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001482584731 917170849 /nfs/dbraw/zinc/17/08/49/917170849.db2.gz GARKHJPAQWXSLA-LBPRGKRZSA-N 1 0 295.387 -0.889 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)CN(C)C(=O)COC ZINC001482600533 917175272 /nfs/dbraw/zinc/17/52/72/917175272.db2.gz KFAFSVDXGMXTQJ-UHFFFAOYSA-N 1 0 271.361 -0.333 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001482616015 917181620 /nfs/dbraw/zinc/18/16/20/917181620.db2.gz JVNFTJVDRZFKIR-UHFFFAOYSA-N 1 0 293.371 -0.615 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001482625043 917184462 /nfs/dbraw/zinc/18/44/62/917184462.db2.gz HBQJUOSVOJSMGK-UHFFFAOYSA-N 1 0 294.355 -0.221 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001482648066 917196150 /nfs/dbraw/zinc/19/61/50/917196150.db2.gz UVBGJJUPHGBQOY-UHFFFAOYSA-N 1 0 279.340 -0.451 20 30 CBEDRO C=CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001482671961 917200454 /nfs/dbraw/zinc/20/04/54/917200454.db2.gz MYVFKGUMGPRTFY-VXGBXAGGSA-N 1 0 283.372 -0.191 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCNC(N)=O)CC[C@H]21 ZINC001482664623 917202078 /nfs/dbraw/zinc/20/20/78/917202078.db2.gz GJEPLJLAQSENDN-QWHCGFSZSA-N 1 0 292.383 -0.009 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001482712251 917214664 /nfs/dbraw/zinc/21/46/64/917214664.db2.gz BWGLFTFIIAWYGP-CYBMUJFWSA-N 1 0 293.367 -0.082 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)/C(C)=C\CC ZINC001482710920 917215339 /nfs/dbraw/zinc/21/53/39/917215339.db2.gz AUJBVQRPEMUGRS-HGIZFUKPSA-N 1 0 295.383 -0.453 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001482716561 917221259 /nfs/dbraw/zinc/22/12/59/917221259.db2.gz OLBKQCNPNZTYFO-PWSUYJOCSA-N 1 0 296.371 -0.728 20 30 CBEDRO Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 ZINC001482717053 917221694 /nfs/dbraw/zinc/22/16/94/917221694.db2.gz WDHHHJPAHCQVSI-CABZTGNLSA-N 1 0 294.359 -0.879 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001482716559 917223184 /nfs/dbraw/zinc/22/31/84/917223184.db2.gz OLBKQCNPNZTYFO-CMPLNLGQSA-N 1 0 296.371 -0.728 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001482726733 917236712 /nfs/dbraw/zinc/23/67/12/917236712.db2.gz XUVKSGBFICNAJA-ZDUSSCGKSA-N 1 0 278.356 -0.210 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732954 917238093 /nfs/dbraw/zinc/23/80/93/917238093.db2.gz TTWDDJKVWOIPSE-GFCCVEGCSA-N 1 0 265.313 -0.655 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001482729120 917238600 /nfs/dbraw/zinc/23/86/00/917238600.db2.gz PHZAHAOLHFJLML-AWEZNQCLSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001482735114 917243209 /nfs/dbraw/zinc/24/32/09/917243209.db2.gz JTUVISUTXVRDNE-LLVKDONJSA-N 1 0 293.371 -0.263 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745392 917247476 /nfs/dbraw/zinc/24/74/76/917247476.db2.gz OXRODBQTRDOIFC-SECBINFHSA-N 1 0 253.306 -0.549 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001482743954 917247978 /nfs/dbraw/zinc/24/79/78/917247978.db2.gz MRRVWNJTRPMXDW-QWHCGFSZSA-N 1 0 290.367 -0.465 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001482744344 917248945 /nfs/dbraw/zinc/24/89/45/917248945.db2.gz SXUFDTTVOMVZQF-QWRGUYRKSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)cn2ccnc12 ZINC001482755587 917252326 /nfs/dbraw/zinc/25/23/26/917252326.db2.gz PMHOMPMNCNXDBQ-GFCCVEGCSA-N 1 0 286.335 -0.044 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001482759073 917253803 /nfs/dbraw/zinc/25/38/03/917253803.db2.gz PNSGXPKTWSGQDZ-UWVGGRQHSA-N 1 0 282.348 -0.755 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001482759389 917254121 /nfs/dbraw/zinc/25/41/21/917254121.db2.gz VTMUDZWVLPZPAU-LBPRGKRZSA-N 1 0 294.355 -0.941 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2onc(C)c2c1 ZINC001482756437 917255213 /nfs/dbraw/zinc/25/52/13/917255213.db2.gz RUEQYSKDZSQHAB-NSHDSACASA-N 1 0 288.307 -0.155 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn2cccnc12 ZINC001482756731 917256406 /nfs/dbraw/zinc/25/64/06/917256406.db2.gz UVMOFJVROZWGIH-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482756698 917257015 /nfs/dbraw/zinc/25/70/15/917257015.db2.gz UKYHRTXVFVURDV-GFCCVEGCSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001482761936 917258485 /nfs/dbraw/zinc/25/84/85/917258485.db2.gz IIKZXQVUPDAZLA-MNOVXSKESA-N 1 0 294.355 -0.195 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001482763207 917260194 /nfs/dbraw/zinc/26/01/94/917260194.db2.gz YBFMEXRCKZLXJN-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482764498 917262062 /nfs/dbraw/zinc/26/20/62/917262062.db2.gz SFBIKKWYXRHKOD-LLVKDONJSA-N 1 0 269.345 -0.715 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)C1 ZINC001482766718 917264076 /nfs/dbraw/zinc/26/40/76/917264076.db2.gz MYHRHGYJPILBGB-LLVKDONJSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ocnc1CC ZINC001482765430 917264973 /nfs/dbraw/zinc/26/49/73/917264973.db2.gz DGEHVGQLZGJQOG-SECBINFHSA-N 1 0 251.286 -0.450 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1nc(C)cc1C ZINC001482773579 917271577 /nfs/dbraw/zinc/27/15/77/917271577.db2.gz RVYMXBJBNAYNOQ-CQSZACIVSA-N 1 0 292.383 -0.020 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001482775042 917272883 /nfs/dbraw/zinc/27/28/83/917272883.db2.gz JUMBZKWTGTURDY-SNVBAGLBSA-N 1 0 291.311 -0.699 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001482775041 917273338 /nfs/dbraw/zinc/27/33/38/917273338.db2.gz JUMBZKWTGTURDY-JTQLQIEISA-N 1 0 291.311 -0.699 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001482777946 917274894 /nfs/dbraw/zinc/27/48/94/917274894.db2.gz XQMJWFAZWQHUFO-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CCC)c1C ZINC001482780671 917277855 /nfs/dbraw/zinc/27/78/55/917277855.db2.gz CKVZYEBZCTVDRG-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)cn1 ZINC001482789639 917281850 /nfs/dbraw/zinc/28/18/50/917281850.db2.gz OVQYBSOTQUGSSJ-GXFFZTMASA-N 1 0 277.324 -0.876 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1OC ZINC001482789588 917283259 /nfs/dbraw/zinc/28/32/59/917283259.db2.gz VYTYRRLKWHWKEW-LLVKDONJSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001482790774 917287388 /nfs/dbraw/zinc/28/73/88/917287388.db2.gz JJRZJFURUODOBM-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncc2n1CCCC2 ZINC001482797152 917287778 /nfs/dbraw/zinc/28/77/78/917287778.db2.gz LLDOOGYMKKGMLB-GFCCVEGCSA-N 1 0 276.340 -0.467 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1nn(CC)nc1C ZINC001482798185 917289968 /nfs/dbraw/zinc/28/99/68/917289968.db2.gz BKKAFCVNGMMJSH-NSHDSACASA-N 1 0 281.360 -0.137 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1noc2c1COCC2 ZINC001482797832 917290766 /nfs/dbraw/zinc/29/07/66/917290766.db2.gz VCWYCDYYRQNHAM-SECBINFHSA-N 1 0 281.312 -0.386 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001482801338 917291247 /nfs/dbraw/zinc/29/12/47/917291247.db2.gz ITPPWFJEHRSLPB-QWHCGFSZSA-N 1 0 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C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ncoc1C ZINC001485130292 918006808 /nfs/dbraw/zinc/00/68/08/918006808.db2.gz YZIPIMQWVATSFU-VHSXEESVSA-N 1 0 292.339 -0.171 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnc[nH]c1=O ZINC001485159880 918015672 /nfs/dbraw/zinc/01/56/72/918015672.db2.gz KJCYVLNQKMGXBK-QWRGUYRKSA-N 1 0 292.339 -0.072 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001485164521 918018500 /nfs/dbraw/zinc/01/85/00/918018500.db2.gz XOKQBZQLNCQDIJ-VHSXEESVSA-N 1 0 260.359 -0.463 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001485170547 918018924 /nfs/dbraw/zinc/01/89/24/918018924.db2.gz ZJYBDNLUCVMQCH-MNOVXSKESA-N 1 0 292.339 -0.545 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001485167154 918020421 /nfs/dbraw/zinc/02/04/21/918020421.db2.gz UOLVNUQOUUDMTB-IUCAKERBSA-N 1 0 299.352 -0.343 20 30 CBEDRO COCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001485172728 918020929 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C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001485307157 918068581 /nfs/dbraw/zinc/06/85/81/918068581.db2.gz RTAUAHSEAOXFPY-JTQLQIEISA-N 1 0 272.312 -0.192 20 30 CBEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001485312393 918071115 /nfs/dbraw/zinc/07/11/15/918071115.db2.gz IHZRJUIMFCWURM-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001485323577 918076640 /nfs/dbraw/zinc/07/66/40/918076640.db2.gz QZSNJCWLUFVZCH-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001485338668 918080682 /nfs/dbraw/zinc/08/06/82/918080682.db2.gz PARGKJPSYJPDAD-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001485338665 918082102 /nfs/dbraw/zinc/08/21/02/918082102.db2.gz PARGKJPSYJPDAD-GHMZBOCLSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001485333113 918083156 /nfs/dbraw/zinc/08/31/56/918083156.db2.gz 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-0.302 20 30 CBEDRO CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001485634873 918160891 /nfs/dbraw/zinc/16/08/91/918160891.db2.gz OSQKAALGEFWRKO-VXGBXAGGSA-N 1 0 291.355 -0.343 20 30 CBEDRO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001485635089 918161267 /nfs/dbraw/zinc/16/12/67/918161267.db2.gz PUGZAMLOPYVUBG-AAEUAGOBSA-N 1 0 293.367 -0.649 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485643887 918164092 /nfs/dbraw/zinc/16/40/92/918164092.db2.gz MLDGYMYVOIUWQF-RKDXNWHRSA-N 1 0 275.736 -0.570 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001485644068 918164992 /nfs/dbraw/zinc/16/49/92/918164992.db2.gz NFUILKUBNGJMDE-GHMZBOCLSA-N 1 0 279.340 -0.909 20 30 CBEDRO CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001485644370 918165517 /nfs/dbraw/zinc/16/55/17/918165517.db2.gz AMKFGYGHFVNEIN-AAEUAGOBSA-N 1 0 291.355 -0.343 20 30 CBEDRO C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001485710054 918173261 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C#CC[N@@H+](C)CCOCCNC(=O)[C@]1(CC)CCNC1=O ZINC001485771741 918187435 /nfs/dbraw/zinc/18/74/35/918187435.db2.gz DAJNOZXWUPJLOQ-OAHLLOKOSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC(=O)N(C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485797422 918191724 /nfs/dbraw/zinc/19/17/24/918191724.db2.gz NUPDKEUYURMECV-LLVKDONJSA-N 1 0 252.318 -0.527 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001485794374 918192345 /nfs/dbraw/zinc/19/23/45/918192345.db2.gz MMERKMVJZHXUMX-OAHLLOKOSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485810278 918194321 /nfs/dbraw/zinc/19/43/21/918194321.db2.gz CXYNDWBFWXYTFJ-JQWIXIFHSA-N 1 0 281.356 -0.663 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cn[nH]n1 ZINC001485817511 918196820 /nfs/dbraw/zinc/19/68/20/918196820.db2.gz NSIPRQLLMCQAMU-CYBMUJFWSA-N 1 0 291.355 -0.105 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001485858296 918214229 /nfs/dbraw/zinc/21/42/29/918214229.db2.gz NAXOBDAPPDZTMN-WDEREUQCSA-N 1 0 296.371 -0.915 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001485885712 918217781 /nfs/dbraw/zinc/21/77/81/918217781.db2.gz PKZCHOKZHRZKSB-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001485928611 918229932 /nfs/dbraw/zinc/22/99/32/918229932.db2.gz XSKRSZQAZRMXII-MNOVXSKESA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001485924787 918232713 /nfs/dbraw/zinc/23/27/13/918232713.db2.gz BTYLPDHGRJMERQ-RYUDHWBXSA-N 1 0 277.368 -0.028 20 30 CBEDRO CNC(=O)C1(C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001485935190 918233895 /nfs/dbraw/zinc/23/38/95/918233895.db2.gz PKHUOALSDQVPND-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001485962340 918241410 /nfs/dbraw/zinc/24/14/10/918241410.db2.gz KFWZAHHNKFDYLH-MNOVXSKESA-N 1 0 266.345 -0.401 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)F 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CC(C)OCC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001485990540 918284490 /nfs/dbraw/zinc/28/44/90/918284490.db2.gz VQUZUSOZBAMELQ-CYBMUJFWSA-N 1 0 294.355 -0.008 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001485992730 918290469 /nfs/dbraw/zinc/29/04/69/918290469.db2.gz SJANKSOKFGFPFY-UTLUCORTSA-N 1 0 260.284 -0.022 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001486000709 918295219 /nfs/dbraw/zinc/29/52/19/918295219.db2.gz WBBMRJGZPOURQP-NSHDSACASA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1COC ZINC001486010245 918302207 /nfs/dbraw/zinc/30/22/07/918302207.db2.gz HVOIIPGXGSBBPE-LLVKDONJSA-N 1 0 294.355 -0.730 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001486012084 918305096 /nfs/dbraw/zinc/30/50/96/918305096.db2.gz ZUKPIERSLAJIAE-NWDGAFQWSA-N 1 0 278.356 -0.302 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn2cccnc2n1 ZINC001486012871 918306068 /nfs/dbraw/zinc/30/60/68/918306068.db2.gz 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C#CCC[NH2+][C@@H](CO)CNC(=O)COc1cccnc1 ZINC001486044011 918337631 /nfs/dbraw/zinc/33/76/31/918337631.db2.gz KRKLQXSIZUAXAQ-GFCCVEGCSA-N 1 0 277.324 -0.450 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001486044999 918338032 /nfs/dbraw/zinc/33/80/32/918338032.db2.gz QSZUKWSOTUFZQY-SRVKXCTJSA-N 1 0 272.345 -0.973 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)COC ZINC001486047905 918340825 /nfs/dbraw/zinc/34/08/25/918340825.db2.gz NZLVCRZEXYLRFF-NWDGAFQWSA-N 1 0 256.346 -0.251 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cn2nccc2nc1C ZINC001486047756 918340930 /nfs/dbraw/zinc/34/09/30/918340930.db2.gz MQSSTPVLTZKKHH-NSHDSACASA-N 1 0 289.339 -0.096 20 30 CBEDRO N#CCN[C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486051187 918343986 /nfs/dbraw/zinc/34/39/86/918343986.db2.gz WUGBGVZRODVUAI-CQSZACIVSA-N 1 0 294.399 -0.301 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cccc1 ZINC001486049234 918346233 /nfs/dbraw/zinc/34/62/33/918346233.db2.gz ZCRBBGJFFOYATG-CYBMUJFWSA-N 1 0 263.341 -0.032 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1OC ZINC001486056478 918347997 /nfs/dbraw/zinc/34/79/97/918347997.db2.gz SIPZFLAQGPVWBW-SNVBAGLBSA-N 1 0 282.344 -0.315 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1cccc(OC)c1 ZINC001486057976 918348095 /nfs/dbraw/zinc/34/80/95/918348095.db2.gz BAFDRODDCFXBCB-CYBMUJFWSA-N 1 0 276.336 -0.062 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCOCC)nc1 ZINC001486054867 918349154 /nfs/dbraw/zinc/34/91/54/918349154.db2.gz GXBBLPFWUHLRJP-CYBMUJFWSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)OC)nc1 ZINC001486055880 918350538 /nfs/dbraw/zinc/35/05/38/918350538.db2.gz PTRNVISVZFYORN-AAEUAGOBSA-N 1 0 291.351 -0.222 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001486097856 918362979 /nfs/dbraw/zinc/36/29/79/918362979.db2.gz WFNFBKKTRXZUGM-NWDGAFQWSA-N 1 0 261.329 -0.120 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001486091407 918365101 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CBEDRO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001486189646 918377120 /nfs/dbraw/zinc/37/71/20/918377120.db2.gz AADZOWQOPWQZOS-UONOGXRCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001486215324 918385968 /nfs/dbraw/zinc/38/59/68/918385968.db2.gz MSGGLBYPHIPHPC-NEPJUHHUSA-N 1 0 276.344 -0.429 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486263975 918395891 /nfs/dbraw/zinc/39/58/91/918395891.db2.gz AAKFOCSCPSRUAB-LLVKDONJSA-N 1 0 280.328 -0.918 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)COC(C)C ZINC001486263606 918397262 /nfs/dbraw/zinc/39/72/62/918397262.db2.gz UPXVWTPMRLINRJ-GFCCVEGCSA-N 1 0 256.346 -0.156 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001486271582 918401232 /nfs/dbraw/zinc/40/12/32/918401232.db2.gz CILKQDBAVBMECQ-GFCCVEGCSA-N 1 0 281.360 -0.347 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C=C1CCC1 ZINC001486271139 918403114 /nfs/dbraw/zinc/40/31/14/918403114.db2.gz VIUFKPWKQTYUDY-ZDUSSCGKSA-N 1 0 295.383 -0.192 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(CC)n1 ZINC001486274431 918404946 /nfs/dbraw/zinc/40/49/46/918404946.db2.gz OANJIHGRCQNIRW-NSHDSACASA-N 1 0 281.360 -0.103 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001486273832 918405238 /nfs/dbraw/zinc/40/52/38/918405238.db2.gz HRQUPLPIOJYIEF-NEPJUHHUSA-N 1 0 283.372 -0.811 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(=O)CC ZINC001486280240 918408120 /nfs/dbraw/zinc/40/81/20/918408120.db2.gz KBYSVIISDYRROM-GHMZBOCLSA-N 1 0 271.361 -0.504 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1COCCN1CC ZINC001486286498 918412835 /nfs/dbraw/zinc/41/28/35/918412835.db2.gz VCHOMRUGWHVXII-ZIAGYGMSSA-N 1 0 297.399 -0.861 20 30 CBEDRO C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001486298056 918414775 /nfs/dbraw/zinc/41/47/75/918414775.db2.gz XGOGRQPLOSDCAE-LLVKDONJSA-N 1 0 285.388 -0.304 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 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CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001486313696 918423830 /nfs/dbraw/zinc/42/38/30/918423830.db2.gz FLEIPPFUFXAUPS-LLVKDONJSA-N 1 0 266.345 -0.144 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001486321329 918427978 /nfs/dbraw/zinc/42/79/78/918427978.db2.gz HIVXURIXBANWLU-NSHDSACASA-N 1 0 264.329 -0.236 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001486332170 918435290 /nfs/dbraw/zinc/43/52/90/918435290.db2.gz FLHXXFFDLIJSRR-GFCCVEGCSA-N 1 0 294.355 -0.305 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001486329654 918436630 /nfs/dbraw/zinc/43/66/30/918436630.db2.gz CXDBQIGXGXSRRG-ZDUSSCGKSA-N 1 0 293.371 -0.557 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001486329823 918438749 /nfs/dbraw/zinc/43/87/49/918438749.db2.gz FQVFAMPQOLQKSP-NWDGAFQWSA-N 1 0 281.360 -0.224 20 30 CBEDRO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](CC)NC(C)=O ZINC001486352048 918442732 /nfs/dbraw/zinc/44/27/32/918442732.db2.gz XZILGIZYHRQLGE-KBPBESRZSA-N 1 0 297.399 -0.325 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001486352264 918444348 /nfs/dbraw/zinc/44/43/48/918444348.db2.gz CCPDNGLRCMCIBI-CYBMUJFWSA-N 1 0 297.399 -0.160 20 30 CBEDRO CN(CC#N)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356136 918451610 /nfs/dbraw/zinc/45/16/10/918451610.db2.gz NCJWYIDMNVLKQZ-GFCCVEGCSA-N 1 0 280.372 -0.643 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1C(=O)CNC1=O)C(C)(C)C ZINC001486424008 918459454 /nfs/dbraw/zinc/45/94/54/918459454.db2.gz PCYZRYFCWFJBPO-SNVBAGLBSA-N 1 0 294.355 -0.708 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)CCS(C)(=O)=O)C1 ZINC001486466159 918467271 /nfs/dbraw/zinc/46/72/71/918467271.db2.gz PJPUGONABFAGED-UHFFFAOYSA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001486477516 918471020 /nfs/dbraw/zinc/47/10/20/918471020.db2.gz REPDMBGHMMFULQ-WHXUTIOJSA-N 1 0 287.385 -0.864 20 30 CBEDRO C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1COCCO1 ZINC001486492509 918472502 /nfs/dbraw/zinc/47/25/02/918472502.db2.gz YXMVZUWBEQWRBR-ZDUSSCGKSA-N 1 0 284.356 -0.510 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)c1csnn1 ZINC001486496043 918476722 /nfs/dbraw/zinc/47/67/22/918476722.db2.gz JGTMUDXMBFFOMJ-UHFFFAOYSA-N 1 0 268.342 -0.151 20 30 CBEDRO C=CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001488084842 918680695 /nfs/dbraw/zinc/68/06/95/918680695.db2.gz HOMLUJZZJYFFPL-LLVKDONJSA-N 1 0 285.388 -0.256 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403192 918725816 /nfs/dbraw/zinc/72/58/16/918725816.db2.gz QIFMNFFVXDXXRD-QWRGUYRKSA-N 1 0 284.360 -0.967 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)COC)C1 ZINC001488718869 918759996 /nfs/dbraw/zinc/75/99/96/918759996.db2.gz ZBYJZUHNYLGPAS-UPJWGTAASA-N 1 0 295.383 -0.497 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CCOCC2=O)C1 ZINC001488738976 918761692 /nfs/dbraw/zinc/76/16/92/918761692.db2.gz AHKWQZFXHUBELN-BETUJISGSA-N 1 0 293.367 -0.647 20 30 CBEDRO 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CC(C)[C@H](CNC(=O)CSCC#N)[NH2+]CCO ZINC001496534765 920085046 /nfs/dbraw/zinc/08/50/46/920085046.db2.gz VOFXIUQGBHIJLM-JTQLQIEISA-N 1 0 259.375 -0.034 20 30 CBEDRO C=CC[NH2+][C@@H](CNC(=O)CN(C)S(C)(=O)=O)C(C)C ZINC001496567155 920088340 /nfs/dbraw/zinc/08/83/40/920088340.db2.gz NTHRRNLMJXKOBM-NSHDSACASA-N 1 0 291.417 -0.206 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)C(=O)NCC(F)F)C(C)C ZINC001496576643 920090892 /nfs/dbraw/zinc/09/08/92/920090892.db2.gz XJCLURGHYATSBG-SECBINFHSA-N 1 0 275.299 -0.269 20 30 CBEDRO C=CC[NH2+][C@@H](CNC(=O)C1CC(=O)NC(=O)C1)C(C)C ZINC001496612267 920095843 /nfs/dbraw/zinc/09/58/43/920095843.db2.gz LRAORIPALDIARS-NSHDSACASA-N 1 0 281.356 -0.044 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496715858 920119588 /nfs/dbraw/zinc/11/95/88/920119588.db2.gz RXEGNBFIZPJREC-GFCCVEGCSA-N 1 0 265.357 -0.122 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccncc1 ZINC001496932513 920155565 /nfs/dbraw/zinc/15/55/65/920155565.db2.gz KSVYWYFMAFQBFT-GFCCVEGCSA-N 1 0 292.339 -0.936 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001496934235 920158502 /nfs/dbraw/zinc/15/85/02/920158502.db2.gz UBADKSVHPUTYQZ-JTQLQIEISA-N 1 0 260.309 -0.549 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)c[nH]1 ZINC001496937966 920162632 /nfs/dbraw/zinc/16/26/32/920162632.db2.gz UWAGUVIEXAMVKT-SECBINFHSA-N 1 0 255.705 -0.018 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001496955119 920171941 /nfs/dbraw/zinc/17/19/41/920171941.db2.gz ZKVKPBNSLAIAHE-LBPRGKRZSA-N 1 0 264.329 -0.718 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001496954778 920172956 /nfs/dbraw/zinc/17/29/56/920172956.db2.gz JRDVOCUHSGNBCR-GHMZBOCLSA-N 1 0 284.360 -0.919 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001496968966 920184236 /nfs/dbraw/zinc/18/42/36/920184236.db2.gz CMRJICKJPBAKRV-NWDGAFQWSA-N 1 0 283.372 -0.667 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001496968967 920184855 /nfs/dbraw/zinc/18/48/55/920184855.db2.gz CMRJICKJPBAKRV-RYUDHWBXSA-N 1 0 283.372 -0.667 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1=CCOCC1 ZINC001496967873 920184901 /nfs/dbraw/zinc/18/49/01/920184901.db2.gz DCDAZYXBVUULFN-ZDUSSCGKSA-N 1 0 282.340 -0.950 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001496970847 920187324 /nfs/dbraw/zinc/18/73/24/920187324.db2.gz YRBAMLQVUIJCGP-GFCCVEGCSA-N 1 0 250.298 -0.088 20 30 CBEDRO CCc1[nH]ccc1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496976651 920189313 /nfs/dbraw/zinc/18/93/13/920189313.db2.gz PBBZJNVSYJECMU-GFCCVEGCSA-N 1 0 293.367 -0.093 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001496977141 920190435 /nfs/dbraw/zinc/19/04/35/920190435.db2.gz KOQHQXXBTNUPGM-JTQLQIEISA-N 1 0 265.317 -0.998 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1CC ZINC001496977143 920191754 /nfs/dbraw/zinc/19/17/54/920191754.db2.gz KOQHQXXBTNUPGM-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001496985988 920194580 /nfs/dbraw/zinc/19/45/80/920194580.db2.gz MJVDCYHVPFFODD-LBPRGKRZSA-N 1 0 281.360 -0.262 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001496989478 920195074 /nfs/dbraw/zinc/19/50/74/920195074.db2.gz DNCFFWRAUFFHCL-VXGBXAGGSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001497003550 920200703 /nfs/dbraw/zinc/20/07/03/920200703.db2.gz WYQXQTLXSYKPGT-GXFFZTMASA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001497008905 920203839 /nfs/dbraw/zinc/20/38/39/920203839.db2.gz DBAHYQAZGPQMAD-GFCCVEGCSA-N 1 0 265.288 -0.537 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001497008909 920205261 /nfs/dbraw/zinc/20/52/61/920205261.db2.gz DBAHYQAZGPQMAD-LBPRGKRZSA-N 1 0 265.288 -0.537 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001497013588 920207604 /nfs/dbraw/zinc/20/76/04/920207604.db2.gz TULLRKWYFBUACT-WDEREUQCSA-N 1 0 290.385 -0.936 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)cn1C ZINC001497015586 920209116 /nfs/dbraw/zinc/20/91/16/920209116.db2.gz AHEAFWFZZZGIHT-SNVBAGLBSA-N 1 0 269.732 -0.008 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001497023437 920210809 /nfs/dbraw/zinc/21/08/09/920210809.db2.gz VQDHSDMKGQVLQL-PRFQISJJSA-N 1 0 278.352 -0.500 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C(F)(F)F ZINC001497032055 920217369 /nfs/dbraw/zinc/21/73/69/920217369.db2.gz CCSGAFZSUTYVAT-JGVFFNPUSA-N 1 0 252.236 -0.115 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001497034950 920219660 /nfs/dbraw/zinc/21/96/60/920219660.db2.gz RIVKMQDQDVAYQC-CBAPKCEASA-N 1 0 277.752 -0.683 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001497038279 920221157 /nfs/dbraw/zinc/22/11/57/920221157.db2.gz RLPMMXVZVCMXTI-NWDGAFQWSA-N 1 0 281.356 -0.865 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001497034466 920221575 /nfs/dbraw/zinc/22/15/75/920221575.db2.gz WUXHGBRYMQYFHR-MNOVXSKESA-N 1 0 269.345 -0.750 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001497054710 920231426 /nfs/dbraw/zinc/23/14/26/920231426.db2.gz QLVRLMKEBPRZJE-CYBMUJFWSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001497056406 920231700 /nfs/dbraw/zinc/23/17/00/920231700.db2.gz GYXDPSFFFBTRRG-RYUDHWBXSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001497067536 920235606 /nfs/dbraw/zinc/23/56/06/920235606.db2.gz TVVNSXNDFRRKDN-JTQLQIEISA-N 1 0 292.401 -0.548 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)[nH]c1C ZINC001497065162 920236410 /nfs/dbraw/zinc/23/64/10/920236410.db2.gz SPWIMINHPBUNJL-ZDUSSCGKSA-N 1 0 293.367 -0.038 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001497076338 920238409 /nfs/dbraw/zinc/23/84/09/920238409.db2.gz NTVBNDOFAUVKOH-SSDOTTSWSA-N 1 0 259.697 -0.763 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001497082860 920242095 /nfs/dbraw/zinc/24/20/95/920242095.db2.gz RHONZZLDUNSRIT-OCCSQVGLSA-N 1 0 292.383 -0.311 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn2nccc2nc1C ZINC001497080029 920243461 /nfs/dbraw/zinc/24/34/61/920243461.db2.gz GHXQSIGRCFDLOU-LLVKDONJSA-N 1 0 287.323 -0.649 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)oc1C ZINC001497079035 920243545 /nfs/dbraw/zinc/24/35/45/920243545.db2.gz ALDXBYCCFPJCBG-SNVBAGLBSA-N 1 0 251.286 -0.395 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001497099845 920248501 /nfs/dbraw/zinc/24/85/01/920248501.db2.gz VRELBYCJPKCIDE-ZIAGYGMSSA-N 1 0 287.363 -0.114 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1CC ZINC001497112274 920249312 /nfs/dbraw/zinc/24/93/12/920249312.db2.gz SYCJWVALXUGPNW-NSHDSACASA-N 1 0 276.340 -0.257 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001497112723 920250544 /nfs/dbraw/zinc/25/05/44/920250544.db2.gz FHNPFCVYNYEQEW-CYBMUJFWSA-N 1 0 289.335 -0.511 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001497118360 920253961 /nfs/dbraw/zinc/25/39/61/920253961.db2.gz NKOHXRBDCANRKJ-ZYHUDNBSSA-N 1 0 276.340 -0.786 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1nn(CC)nc1C ZINC001497125816 920256129 /nfs/dbraw/zinc/25/61/29/920256129.db2.gz JKPYQDTUTPOHTC-LLVKDONJSA-N 1 0 279.344 -0.690 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001497153450 920265745 /nfs/dbraw/zinc/26/57/45/920265745.db2.gz NOTSBXKNWWSQFK-GHMZBOCLSA-N 1 0 294.355 -0.221 20 30 CBEDRO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001497170444 920268650 /nfs/dbraw/zinc/26/86/50/920268650.db2.gz MXQMPQLQFRBWOT-VIFPVBQESA-N 1 0 277.328 -0.270 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001497240942 920272881 /nfs/dbraw/zinc/27/28/81/920272881.db2.gz JRYVBMXIISFYHP-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)c1 ZINC001497265913 920276237 /nfs/dbraw/zinc/27/62/37/920276237.db2.gz WGXWFHUCMYYWFB-JTQLQIEISA-N 1 0 274.324 -0.354 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)CCc1cn[nH]n1 ZINC001497267358 920276964 /nfs/dbraw/zinc/27/69/64/920276964.db2.gz HAUCHMRFSXCGKA-LBPRGKRZSA-N 1 0 293.371 -0.129 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001497299872 920282050 /nfs/dbraw/zinc/28/20/50/920282050.db2.gz VQTVICOHMPJXEL-LLVKDONJSA-N 1 0 264.333 -0.429 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CS(=O)(=O)CC ZINC001497333043 920286318 /nfs/dbraw/zinc/28/63/18/920286318.db2.gz RDWBFYCTUMRDKF-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C(F)F ZINC001497339333 920289736 /nfs/dbraw/zinc/28/97/36/920289736.db2.gz RVLJDGIHDQXKRA-UHFFFAOYSA-N 1 0 261.272 -0.561 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H](C)C#N ZINC001497361243 920291578 /nfs/dbraw/zinc/29/15/78/920291578.db2.gz AYHZTXKLDORPCK-NEPJUHHUSA-N 1 0 278.356 -0.278 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cn[nH]c1 ZINC001497360709 920293211 /nfs/dbraw/zinc/29/32/11/920293211.db2.gz SABXLUMKYWPWHJ-UHFFFAOYSA-N 1 0 279.344 -0.236 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCOC1 ZINC001497362103 920293427 /nfs/dbraw/zinc/29/34/27/920293427.db2.gz XLILIHVALRDVQF-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCOC1 ZINC001497362102 920293827 /nfs/dbraw/zinc/29/38/27/920293827.db2.gz XLILIHVALRDVQF-GFCCVEGCSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C#CC1CC1 ZINC001497391844 920296718 /nfs/dbraw/zinc/29/67/18/920296718.db2.gz ZPJIKQSJUQZHMA-CYBMUJFWSA-N 1 0 289.379 -0.024 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)Cn1cnc(C(N)=O)n1 ZINC001497383484 920297242 /nfs/dbraw/zinc/29/72/42/920297242.db2.gz IUMWYWLNIXYSGH-UHFFFAOYSA-N 1 0 280.332 -0.999 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)c1ncc[nH]1 ZINC001497382767 920299749 /nfs/dbraw/zinc/29/97/49/920299749.db2.gz ONKGQLDPODPBOC-UHFFFAOYSA-N 1 0 279.344 -0.236 20 30 CBEDRO CCC(=O)N[C@H](C)C(=O)N(CC)CC[NH2+]CC#CCOC ZINC001497391278 920299907 /nfs/dbraw/zinc/29/99/07/920299907.db2.gz DBLFFKNGVSVVNH-CYBMUJFWSA-N 1 0 297.399 -0.011 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C[C@H](C)NC(N)=O ZINC001497395206 920301836 /nfs/dbraw/zinc/30/18/36/920301836.db2.gz VGYIADVPMRLFDG-JTQLQIEISA-N 1 0 254.334 -0.495 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C(=O)Nc1cc(C)on1 ZINC001497496080 920311155 /nfs/dbraw/zinc/31/11/55/920311155.db2.gz QVSRTHUNIFFTDR-UHFFFAOYSA-N 1 0 278.312 -0.007 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)CCNC(N)=O ZINC001497494137 920311944 /nfs/dbraw/zinc/31/19/44/920311944.db2.gz MXMVFVBGTLEHIX-UHFFFAOYSA-N 1 0 284.360 -0.867 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(C)=O ZINC001497513668 920315856 /nfs/dbraw/zinc/31/58/56/920315856.db2.gz TVNULFAFFRBGBY-PLNGDYQASA-N 1 0 268.317 -0.720 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccc[nH]1 ZINC001497523316 920321187 /nfs/dbraw/zinc/32/11/87/920321187.db2.gz QBHYOWANGGYHHJ-OWOJBTEDSA-N 1 0 275.312 -0.470 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C)C#N ZINC001497546906 920329601 /nfs/dbraw/zinc/32/96/01/920329601.db2.gz FYSANJWKKFDIFG-CFUOYWMPSA-N 1 0 252.318 -0.457 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCNC(=O)C1 ZINC001497564339 920334522 /nfs/dbraw/zinc/33/45/22/920334522.db2.gz LVQKCOATEIGCNJ-IBUXWKBASA-N 1 0 293.367 -0.576 20 30 CBEDRO N#Cc1ccc(C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001497562855 920335178 /nfs/dbraw/zinc/33/51/78/920335178.db2.gz NCINUHOETZRZCI-FMBMQGQPSA-N 1 0 287.323 -0.350 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C ZINC001497572184 920338694 /nfs/dbraw/zinc/33/86/94/920338694.db2.gz JYBLKTMPIRBZGJ-PSKZRQQASA-N 1 0 283.372 -0.336 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cncnc1 ZINC001497566599 920341712 /nfs/dbraw/zinc/34/17/12/920341712.db2.gz NRVVJUINOJXUNK-ONEGZZNKSA-N 1 0 287.323 -0.898 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CO[C@H]1CCOC1 ZINC001497577850 920342696 /nfs/dbraw/zinc/34/26/96/920342696.db2.gz 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CC[N@H+](C)C[C@H](O)Cn1cc(C(=O)OC)cc(C#N)c1=O ZINC000570226873 354857316 /nfs/dbraw/zinc/85/73/16/354857316.db2.gz SVEVOROQCOIAHL-LBPRGKRZSA-N 1 0 293.323 -0.181 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570345774 354860558 /nfs/dbraw/zinc/86/05/58/354860558.db2.gz VMRFHWMGEFCKNQ-LOWDOPEQSA-N 1 0 293.367 -0.262 20 30 CBEDRO N#CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000570464744 354863350 /nfs/dbraw/zinc/86/33/50/354863350.db2.gz ULJZDCNLGRSJIW-LLVKDONJSA-N 1 0 275.374 -0.334 20 30 CBEDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)CCC#N)CC1 ZINC000572985941 354902852 /nfs/dbraw/zinc/90/28/52/354902852.db2.gz WQIILASAIJGGQZ-LBPRGKRZSA-N 1 0 289.401 -0.088 20 30 CBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCCC[NH2+]CC)C1=O ZINC000573324785 354909989 /nfs/dbraw/zinc/90/99/89/354909989.db2.gz ZACCUXNQRVLYTJ-UHFFFAOYSA-N 1 0 296.327 -0.921 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000573599263 354916165 /nfs/dbraw/zinc/91/61/65/354916165.db2.gz 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355317050 /nfs/dbraw/zinc/31/70/50/355317050.db2.gz BDNTUMTXSIABMZ-CQSZACIVSA-N 1 0 263.341 -0.285 20 30 CBEDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595987941 355336417 /nfs/dbraw/zinc/33/64/17/355336417.db2.gz DLQIMTRQJURTDD-RISCZKNCSA-N 1 0 278.356 -0.184 20 30 CBEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CCO1 ZINC000595989037 355336449 /nfs/dbraw/zinc/33/64/49/355336449.db2.gz HTEUBBRKQMTKHP-WDMOLILDSA-N 1 0 294.355 -0.677 20 30 CBEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595990350 355336511 /nfs/dbraw/zinc/33/65/11/355336511.db2.gz PZXCWCMTRNRUFM-SMDDNHRTSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000595989127 355336537 /nfs/dbraw/zinc/33/65/37/355336537.db2.gz IAVXHKIEAPPSSM-YWPYICTPSA-N 1 0 290.367 -0.041 20 30 CBEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000595989969 355336582 /nfs/dbraw/zinc/33/65/82/355336582.db2.gz NBMFIZFNKDDTGX-MFKMUULPSA-N 1 0 264.329 -0.431 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)[C@H](N)C(=O)OCC)CC1 ZINC000595946989 355325201 /nfs/dbraw/zinc/32/52/01/355325201.db2.gz FQCMGLYGINXSMV-NSHDSACASA-N 1 0 269.345 -0.357 20 30 CBEDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCn1cnc(C#N)n1 ZINC000595262334 355276648 /nfs/dbraw/zinc/27/66/48/355276648.db2.gz BWHGMCDFDFKCHD-SNVBAGLBSA-N 1 0 279.348 -0.178 20 30 CBEDRO C=CCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595263404 355276657 /nfs/dbraw/zinc/27/66/57/355276657.db2.gz AZJOIISUVGNUQB-GHMZBOCLSA-N 1 0 282.344 -0.858 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000595268527 355277156 /nfs/dbraw/zinc/27/71/56/355277156.db2.gz VVNVSUFCWSYJBJ-CYBMUJFWSA-N 1 0 279.344 -0.637 20 30 CBEDRO C=CCCSCCNC(=O)C(=O)NCCC[NH3+] ZINC000595282469 355278792 /nfs/dbraw/zinc/27/87/92/355278792.db2.gz OGZHLONIQUWRHM-UHFFFAOYSA-N 1 0 259.375 -0.123 20 30 CBEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000595991350 355337282 /nfs/dbraw/zinc/33/72/82/355337282.db2.gz 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BBACECUVVGOROB-UWVGGRQHSA-N 1 0 292.405 -0.793 20 30 CBEDRO CNC(N[C@@H]1CCc2nc(COC)nn2C1)=[NH+]C ZINC000261713694 220244391 /nfs/dbraw/zinc/24/43/91/220244391.db2.gz HMYMAIUDRLNJLO-MRVPVSSYSA-N 1 0 252.322 -0.466 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587837 220244579 /nfs/dbraw/zinc/24/45/79/220244579.db2.gz JSXTWWPEROWBHO-QWRGUYRKSA-N 1 0 266.345 -0.461 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261636987 220244619 /nfs/dbraw/zinc/24/46/19/220244619.db2.gz WOJHIRNBDUHQNR-GHMZBOCLSA-N 1 0 266.345 -0.318 20 30 CBEDRO CNC(=O)CNC(N[C@H](C)Cc1c(C)nn(C)c1C)=[NH+]C ZINC000261711701 220244806 /nfs/dbraw/zinc/24/48/06/220244806.db2.gz HHLYFNSTGKLRHE-SECBINFHSA-N 1 0 294.403 -0.121 20 30 CBEDRO CNC(NCCS(=O)(=O)NCc1ccccc1)=[NH+]C ZINC000261896023 220245238 /nfs/dbraw/zinc/24/52/38/220245238.db2.gz UZDJECRURYFECZ-UHFFFAOYSA-N 1 0 284.385 -0.099 20 30 CBEDRO C[NH+]=C(NCc1nc(C)no1)N1CCO[C@H](COC)C1 ZINC000261991339 220245461 /nfs/dbraw/zinc/24/54/61/220245461.db2.gz SKJMAKRGSWFAFZ-JTQLQIEISA-N 1 0 283.332 -0.199 20 30 CBEDRO C[NH+]=C(NCCNC(C)=O)N1CC[C@]2(CCOC2)C1 ZINC000261951528 220245880 /nfs/dbraw/zinc/24/58/80/220245880.db2.gz HNJUQJABZKMKRX-ZDUSSCGKSA-N 1 0 268.361 -0.190 20 30 CBEDRO C[NH+]=C(NCc1nccn1C)N1CCO[C@H](COC)C1 ZINC000261805658 220246067 /nfs/dbraw/zinc/24/60/67/220246067.db2.gz HHUXUNDIBVPKRS-NSHDSACASA-N 1 0 281.360 -0.157 20 30 CBEDRO CN/C(=[NH+]/C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261940149 220246236 /nfs/dbraw/zinc/24/62/36/220246236.db2.gz DKCTWFCIADTBPX-GFCCVEGCSA-N 1 0 281.404 -0.180 20 30 CBEDRO [NH2+]=C(NCC1(O)CCOCC1)N1CCSCC1 ZINC000261983103 220246782 /nfs/dbraw/zinc/24/67/82/220246782.db2.gz ITBQLVAVSMPZPF-UHFFFAOYSA-N 1 0 259.375 -0.109 20 30 CBEDRO [NH2+]=C(NCCNc1cnccn1)N1CCOCC1 ZINC000261998784 220246927 /nfs/dbraw/zinc/24/69/27/220246927.db2.gz OSYNPTNGTBKZJK-UHFFFAOYSA-N 1 0 250.306 -0.465 20 30 CBEDRO [NH2+]=C(NC[C@@H]1COC2(CCOCC2)O1)NC[C@@H]1CCCO1 ZINC000262192077 220247604 /nfs/dbraw/zinc/24/76/04/220247604.db2.gz RDKVWEQNLZYVCD-NWDGAFQWSA-N 1 0 299.371 -0.008 20 30 CBEDRO C=CCNC(=[NH2+])NC[C@H]1CCCCN1S(C)(=O)=O ZINC000262113508 220247894 /nfs/dbraw/zinc/24/78/94/220247894.db2.gz KVIJIBRTFLEYCJ-SNVBAGLBSA-N 1 0 274.390 -0.109 20 30 CBEDRO C[NH+]=C(NCCN1CCNC(=O)C1)NCc1ccco1 ZINC000262147360 220248036 /nfs/dbraw/zinc/24/80/36/220248036.db2.gz ACJHZUXCNDIGJA-UHFFFAOYSA-N 1 0 279.344 -0.624 20 30 CBEDRO CCOC(=O)[C@@H]1CCCN(C(NCC(=O)N(C)C)=[NH+]C)C1 ZINC000262019993 220248063 /nfs/dbraw/zinc/24/80/63/220248063.db2.gz YOSRTRHEQWNEKX-LLVKDONJSA-N 1 0 298.387 -0.075 20 30 CBEDRO CN(C)C(=[NH+]CC1(C(N)=O)CCOCC1)N(C)C ZINC000262019594 220248231 /nfs/dbraw/zinc/24/82/31/220248231.db2.gz XITONAYTPIZCNN-UHFFFAOYSA-N 1 0 256.350 -0.252 20 30 CBEDRO CNC(NCCS(=O)(=O)NC[C@@H]1CCCCO1)=[NH+]C ZINC000262296382 220249664 /nfs/dbraw/zinc/24/96/64/220249664.db2.gz JBFJKPSHWXYBDR-JTQLQIEISA-N 1 0 292.405 -0.730 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NC[C@H](O)c1ccc(C)o1 ZINC000262311211 220250096 /nfs/dbraw/zinc/25/00/96/220250096.db2.gz PTAPNOFWOLGTPM-JTQLQIEISA-N 1 0 282.344 -0.125 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCO[C@@H](C)C1 ZINC000262308399 220250170 /nfs/dbraw/zinc/25/01/70/220250170.db2.gz PFKJQZILVVHTNR-VHSXEESVSA-N 1 0 256.350 -0.193 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NC[C@@H](O)c1ccc(C)o1 ZINC000262311212 220250246 /nfs/dbraw/zinc/25/02/46/220250246.db2.gz PTAPNOFWOLGTPM-SNVBAGLBSA-N 1 0 282.344 -0.125 20 30 CBEDRO C#CC[NH+]=C(NCC=C)NC[C@@H]1CCS(=O)(=O)C1 ZINC000262452276 220250941 /nfs/dbraw/zinc/25/09/41/220250941.db2.gz WFJSLXWYKNMGEC-NSHDSACASA-N 1 0 269.370 -0.225 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(O)CCOCC2)CCO1 ZINC000262423356 220251370 /nfs/dbraw/zinc/25/13/70/220251370.db2.gz BUNCTCZLXPBPJJ-SNVBAGLBSA-N 1 0 257.334 -0.437 20 30 CBEDRO CC(=O)N1CCN(CCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000262441941 220251433 /nfs/dbraw/zinc/25/14/33/220251433.db2.gz HTLDXLRVOQTVAT-LBPRGKRZSA-N 1 0 297.403 -0.814 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cncc(C#N)c1 ZINC000289497128 197377925 /nfs/dbraw/zinc/37/79/25/197377925.db2.gz PPEFWEKAXFZZCW-GFCCVEGCSA-N 1 0 298.368 -0.456 20 30 CBEDRO C=CCN(C(=O)CC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000262572097 220253000 /nfs/dbraw/zinc/25/30/00/220253000.db2.gz SLOFIZZZWMJQLL-JTQLQIEISA-N 1 0 260.359 -0.202 20 30 CBEDRO CN(C)C(=[NH2+])NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000262632484 220253306 /nfs/dbraw/zinc/25/33/06/220253306.db2.gz FYQQJNJFPGZHHN-NXEZZACHSA-N 1 0 276.406 -0.029 20 30 CBEDRO [NH2+]=C(NCCNC(=O)c1ccn[nH]1)NC1CCCC1 ZINC000262526772 220253411 /nfs/dbraw/zinc/25/34/11/220253411.db2.gz GZDMANIGHFCXOV-UHFFFAOYSA-N 1 0 264.333 -0.014 20 30 CBEDRO C[NH+]=C(NC[C@H]1COCCO1)N1CCC(C(=O)OC)CC1 ZINC000262578062 220253441 /nfs/dbraw/zinc/25/34/41/220253441.db2.gz PFIXVOMSAZTPOV-LBPRGKRZSA-N 1 0 299.371 -0.138 20 30 CBEDRO C=CCN(C(=O)CC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000262572099 220253539 /nfs/dbraw/zinc/25/35/39/220253539.db2.gz SLOFIZZZWMJQLL-SNVBAGLBSA-N 1 0 260.359 -0.202 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N1CC[C@@H](COC)C1 ZINC000262503523 220253570 /nfs/dbraw/zinc/25/35/70/220253570.db2.gz ZEZNMTUJWJSFIT-LLVKDONJSA-N 1 0 266.349 -0.178 20 30 CBEDRO C[C@H](NC(=O)c1cc(C#N)cn1C)C(=O)NCC[NH+](C)C ZINC000552082269 374260940 /nfs/dbraw/zinc/26/09/40/374260940.db2.gz MEMNJEQVWDBRKI-JTQLQIEISA-N 1 0 291.355 -0.307 20 30 CBEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000553896628 374270570 /nfs/dbraw/zinc/27/05/70/374270570.db2.gz PVZVKAJNDHXMAN-ONGXEEELSA-N 1 0 264.329 -0.337 20 30 CBEDRO CN1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000555339222 374289747 /nfs/dbraw/zinc/28/97/47/374289747.db2.gz XIBASZJHOHPXIA-LLVKDONJSA-N 1 0 270.296 -0.079 20 30 CBEDRO CN1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000555339288 374290038 /nfs/dbraw/zinc/29/00/38/374290038.db2.gz XIBASZJHOHPXIA-NSHDSACASA-N 1 0 270.296 -0.079 20 30 CBEDRO COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)C#N)CC[N@H+](C)C1 ZINC000566665673 374330826 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C=C[C@@H](O)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000646870569 374832721 /nfs/dbraw/zinc/83/27/21/374832721.db2.gz YOZIEMVHLSTXHQ-VXGBXAGGSA-N 1 0 254.330 -0.286 20 30 CBEDRO CC[N@H+](CCO)CCNC(=O)c1cnn(C)c1C#N ZINC000356799476 248290997 /nfs/dbraw/zinc/29/09/97/248290997.db2.gz UPYBYNUOWQFXQR-UHFFFAOYSA-N 1 0 265.317 -0.664 20 30 CBEDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1cncc(C#N)c1 ZINC000516063402 248922131 /nfs/dbraw/zinc/92/21/31/248922131.db2.gz SEBMSOHWWMVPDK-QMMMGPOBSA-N 1 0 254.315 -0.174 20 30 CBEDRO C[C@@H]1C[NH+]=C(NCCNS(=O)(=O)c2cccnc2)N1 ZINC000262687737 220254545 /nfs/dbraw/zinc/25/45/45/220254545.db2.gz ZBCMAXDAFQNZJV-SECBINFHSA-N 1 0 283.357 -0.703 20 30 CBEDRO [NH2+]=C(NCCC1CCS(=O)(=O)CC1)N1CCOCC1 ZINC000262682533 220254666 /nfs/dbraw/zinc/25/46/66/220254666.db2.gz WWROMEDQXSXXKX-UHFFFAOYSA-N 1 0 289.401 -0.152 20 30 CBEDRO CC(=O)N1CCN(CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262683069 220255088 /nfs/dbraw/zinc/25/50/88/220255088.db2.gz XDZCZVPJDRSMQO-JTQLQIEISA-N 1 0 253.350 -0.912 20 30 CBEDRO CN1CC[NH+]=C1NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000262688325 220255388 /nfs/dbraw/zinc/25/53/88/220255388.db2.gz ZEGXZHMJVHKQDY-UHFFFAOYSA-N 1 0 297.380 -0.156 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCN(S(C)(=O)=O)C2)N1 ZINC000262668477 220255469 /nfs/dbraw/zinc/25/54/69/220255469.db2.gz PXQXFJZKYHXMIA-BDAKNGLRSA-N 1 0 260.363 -0.795 20 30 CBEDRO N#Cc1ccsc1N1CC[C@H](N2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000278548130 194037858 /nfs/dbraw/zinc/03/78/58/194037858.db2.gz ARJLNXUBUDLKDB-GARJFASQSA-N 1 0 293.348 -0.238 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)N1 ZINC000262689488 220255913 /nfs/dbraw/zinc/25/59/13/220255913.db2.gz ZPSUAJVGFOOVFV-UTLUCORTSA-N 1 0 274.390 -0.358 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)N1 ZINC000262689485 220256083 /nfs/dbraw/zinc/25/60/83/220256083.db2.gz ZPSUAJVGFOOVFV-BBBLOLIVSA-N 1 0 274.390 -0.358 20 30 CBEDRO COc1cc(C#N)ccc1OCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278607254 194065102 /nfs/dbraw/zinc/06/51/02/194065102.db2.gz FGBSESGPWUBZCG-VXGBXAGGSA-N 1 0 278.308 -0.017 20 30 CBEDRO [NH2+]=C(NCCNC(=O)c1ccn[nH]1)NC1CCC1 ZINC000263176691 220260105 /nfs/dbraw/zinc/26/01/05/220260105.db2.gz SSSULLPFUWITLH-UHFFFAOYSA-N 1 0 250.306 -0.404 20 30 CBEDRO Cc1ccc(CNC(=[NH2+])N2CCOCC2)c(=O)n1C ZINC000262774051 220258243 /nfs/dbraw/zinc/25/82/43/220258243.db2.gz JNXUBZQRKCOVLF-UHFFFAOYSA-N 1 0 264.329 -0.159 20 30 CBEDRO CC(=O)NCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264118459 220262576 /nfs/dbraw/zinc/26/25/76/220262576.db2.gz QNCBSWAPPVZXJY-UHFFFAOYSA-N 1 0 291.359 -0.951 20 30 CBEDRO CCNC(=O)COc1cccc(CNC(N)=[NH2+])c1 ZINC000264104088 220263121 /nfs/dbraw/zinc/26/31/21/220263121.db2.gz OYBJWBBOHVJDMW-UHFFFAOYSA-N 1 0 250.302 -0.025 20 30 CBEDRO C=CCNC(=[NH2+])NCCCN(CC)S(C)(=O)=O ZINC000264076331 220263474 /nfs/dbraw/zinc/26/34/74/220263474.db2.gz FSZXNQGXAXWZFE-UHFFFAOYSA-N 1 0 262.379 -0.252 20 30 CBEDRO NC(=O)c1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264095867 220264000 /nfs/dbraw/zinc/26/40/00/220264000.db2.gz MMNSSYXBKAUFAM-UHFFFAOYSA-N 1 0 262.313 -0.068 20 30 CBEDRO N#Cc1ccc(CNC(=O)CN(CCO)CCO)cc1 ZINC000266552389 190266695 /nfs/dbraw/zinc/26/66/95/190266695.db2.gz UQFBPAMHQFBCRY-UHFFFAOYSA-N 1 0 277.324 -0.539 20 30 CBEDRO NC(=O)COc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000267383669 220268270 /nfs/dbraw/zinc/26/82/70/220268270.db2.gz BCRYQLSPPCGWFL-UHFFFAOYSA-N 1 0 292.339 -0.302 20 30 CBEDRO CCc1nc(CCNC(=[NH2+])N2CCOCC2)no1 ZINC000267405187 220269035 /nfs/dbraw/zinc/26/90/35/220269035.db2.gz GURUUJVGLKMKJL-UHFFFAOYSA-N 1 0 253.306 -0.179 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000267253374 190315174 /nfs/dbraw/zinc/31/51/74/190315174.db2.gz ZNYVESGJFZZGJG-LBPRGKRZSA-N 1 0 289.339 -0.044 20 30 CBEDRO CC[N@H+](CCO)CCNC(=O)c1ccc(C#N)nc1 ZINC000347805215 218362653 /nfs/dbraw/zinc/36/26/53/218362653.db2.gz KLLIHRHIEXZMDV-UHFFFAOYSA-N 1 0 262.313 -0.003 20 30 CBEDRO C=CCNC(=O)[C@H](C)N1CCN(c2nc(N)ns2)CC1 ZINC000267990120 190367311 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UCXJWKHCWVMCBR-HNNXBMFYSA-N 1 0 291.395 -0.078 20 30 CBEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000852921273 583574955 /nfs/dbraw/zinc/57/49/55/583574955.db2.gz LMATWFINEHAJJM-LBPRGKRZSA-N 1 0 252.318 -0.574 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000852923513 583575193 /nfs/dbraw/zinc/57/51/93/583575193.db2.gz CBUYOYMMLUFVID-MNOVXSKESA-N 1 0 251.330 -0.336 20 30 CBEDRO COC(=O)N(C)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000853119849 583578351 /nfs/dbraw/zinc/57/83/51/583578351.db2.gz ZFSWYEAOVQWADH-LLVKDONJSA-N 1 0 272.349 -0.519 20 30 CBEDRO C#CCC[NH+]1CCN(c2ncnc3c2nnn3C)CC1 ZINC000853235611 583580611 /nfs/dbraw/zinc/58/06/11/583580611.db2.gz SMCAOVNECBHWNQ-UHFFFAOYSA-N 1 0 271.328 -0.096 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N1CCC(CO)(CO)C1 ZINC000854094315 583595191 /nfs/dbraw/zinc/59/51/91/583595191.db2.gz LRTLIUCUIFOUIE-UHFFFAOYSA-N 1 0 283.372 -0.672 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854355310 583600366 /nfs/dbraw/zinc/60/03/66/583600366.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 1 0 290.411 -0.410 20 30 CBEDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000854465945 583604309 /nfs/dbraw/zinc/60/43/09/583604309.db2.gz VDTNWGOCAVZEBJ-OLZOCXBDSA-N 1 0 277.324 -0.370 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467582 583604730 /nfs/dbraw/zinc/60/47/30/583604730.db2.gz VLFWUNFXVWLTGK-NEPJUHHUSA-N 1 0 253.346 -0.877 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CC(=O)OCC ZINC000854539885 583606513 /nfs/dbraw/zinc/60/65/13/583606513.db2.gz PTVSOBFNCIMGFC-SNVBAGLBSA-N 1 0 258.318 -0.466 20 30 CBEDRO C=C(CO)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000854642368 583614171 /nfs/dbraw/zinc/61/41/71/583614171.db2.gz KXZIPKLDHWLMOQ-VXGBXAGGSA-N 1 0 254.330 -0.144 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000854664112 583614956 /nfs/dbraw/zinc/61/49/56/583614956.db2.gz MTIJMDAMLFQYDW-LLVKDONJSA-N 1 0 290.371 -0.718 20 30 CBEDRO C#C[C@H](CO)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000854772191 583620702 /nfs/dbraw/zinc/62/07/02/583620702.db2.gz RMTFCMUXSVMKRG-GFCCVEGCSA-N 1 0 288.351 -0.443 20 30 CBEDRO C#C[C@H](CO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000854777394 583622090 /nfs/dbraw/zinc/62/20/90/583622090.db2.gz BPZKFAIUDNCMLV-SNVBAGLBSA-N 1 0 250.302 -0.831 20 30 CBEDRO C#C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000856106744 583655797 /nfs/dbraw/zinc/65/57/97/583655797.db2.gz YTRXRATZAAJQLP-HUUCEWRRSA-N 1 0 291.395 -0.079 20 30 CBEDRO C#CCN(C(=O)NCC[C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000857111603 583665522 /nfs/dbraw/zinc/66/55/22/583665522.db2.gz PKLUWFWLTZMDCE-WDEREUQCSA-N 1 0 287.385 -0.444 20 30 CBEDRO C#CC[C@@H](COC)NC(=O)NCC[N@@H+](C)CCOC ZINC000858193092 583687900 /nfs/dbraw/zinc/68/79/00/583687900.db2.gz TYFGYRRLVSLYPI-LBPRGKRZSA-N 1 0 271.361 -0.098 20 30 CBEDRO C=CCS(=O)(=O)CCNc1nc(N)[nH+]c(N)n1 ZINC000858479434 583695918 /nfs/dbraw/zinc/69/59/18/583695918.db2.gz RXPMTXDGJIKDEF-UHFFFAOYSA-N 1 0 258.307 -0.951 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1COCCN1C ZINC000858493210 583696367 /nfs/dbraw/zinc/69/63/67/583696367.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 1 0 282.388 -0.429 20 30 CBEDRO C#CCNC(=O)[C@@H](C)N1CCC([NH+]2CCOCC2)CC1 ZINC000859357924 583715690 /nfs/dbraw/zinc/71/56/90/583715690.db2.gz OOIGLWZKHUFHNB-CYBMUJFWSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CN1CC(=O)N(C)C1=O ZINC000860530569 583748947 /nfs/dbraw/zinc/74/89/47/583748947.db2.gz ZVVQIHLJYGAXBO-LLVKDONJSA-N 1 0 293.323 -0.479 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1COC(=O)N1 ZINC000860529731 583749069 /nfs/dbraw/zinc/74/90/69/583749069.db2.gz KPVQIGQTIRAABK-ZJUUUORDSA-N 1 0 252.270 -0.264 20 30 CBEDRO C#C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H]1CCCO1 ZINC000861618647 583772758 /nfs/dbraw/zinc/77/27/58/583772758.db2.gz TWCFXMFDIOTMMC-NEPJUHHUSA-N 1 0 281.356 -0.026 20 30 CBEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000861703029 583779373 /nfs/dbraw/zinc/77/93/73/583779373.db2.gz CGPNYVQHXGHZEA-QJPTWQEYSA-N 1 0 299.396 -0.431 20 30 CBEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000861707991 583779778 /nfs/dbraw/zinc/77/97/78/583779778.db2.gz NKYSNYIGOZPUAK-MNOVXSKESA-N 1 0 285.369 -0.820 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861710987 583780050 /nfs/dbraw/zinc/78/00/50/583780050.db2.gz FCHLGGSTCQNBFK-STQMWFEESA-N 1 0 266.341 -0.306 20 30 CBEDRO C#CCN(C(=O)C(=O)NCCOCC[NH2+]C)C1CCCC1 ZINC000861799082 583787489 /nfs/dbraw/zinc/78/74/89/583787489.db2.gz SCRLPRJTJITKOO-UHFFFAOYSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)[C@H]2CCCO2)CC1 ZINC000862651982 583814198 /nfs/dbraw/zinc/81/41/98/583814198.db2.gz RPUYENSGAGRWOH-UONOGXRCSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000862651981 583814255 /nfs/dbraw/zinc/81/42/55/583814255.db2.gz RPUYENSGAGRWOH-KGLIPLIRSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000862819437 583824127 /nfs/dbraw/zinc/82/41/27/583824127.db2.gz QINGNOXDNDMWKV-HAQNSBGRSA-N 1 0 263.341 -0.288 20 30 CBEDRO C[C@@H]1C[NH+]=C(NN=Cc2nc(Br)nn2C)N1 ZINC000863105113 583832272 /nfs/dbraw/zinc/83/22/72/583832272.db2.gz JIOKTLVOJRRICG-RXMQYKEDSA-N 1 0 286.137 -0.151 20 30 CBEDRO N#Cc1ccc([C@H](O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863319861 583837799 /nfs/dbraw/zinc/83/77/99/583837799.db2.gz SRDDNBANBWQVHO-KGLIPLIRSA-N 1 0 289.335 -0.226 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863323630 583838305 /nfs/dbraw/zinc/83/83/05/583838305.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 1 0 265.357 -0.733 20 30 CBEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1=O ZINC000863764282 583854760 /nfs/dbraw/zinc/85/47/60/583854760.db2.gz AOUBIIMQUBSVPT-QWRGUYRKSA-N 1 0 296.371 -0.963 20 30 CBEDRO C#CC[C@H](COC)NC(=O)CN1CC[NH+](CC)CC1 ZINC000863800849 583857453 /nfs/dbraw/zinc/85/74/53/583857453.db2.gz PGXOLBMBVSQXNV-CYBMUJFWSA-N 1 0 267.373 -0.222 20 30 CBEDRO N#Cc1ccc([C@H](O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000863833661 583859177 /nfs/dbraw/zinc/85/91/77/583859177.db2.gz SRDDNBANBWQVHO-KBPBESRZSA-N 1 0 289.335 -0.226 20 30 CBEDRO CCNC(NCCCS(=O)(=O)NC)=[NH+]CC ZINC000864358082 583880939 /nfs/dbraw/zinc/88/09/39/583880939.db2.gz HUFGBGADTSFBEQ-UHFFFAOYSA-N 1 0 250.368 -0.499 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)/C=C/CN2CCOCC2)CC1 ZINC000865199860 583900686 /nfs/dbraw/zinc/90/06/86/583900686.db2.gz WEXZFMCIDKZEPC-NSCUHMNNSA-N 1 0 292.383 -0.021 20 30 CBEDRO C#CCNC(=S)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865243503 583901267 /nfs/dbraw/zinc/90/12/67/583901267.db2.gz PNDGPNXDDDASDM-JTQLQIEISA-N 1 0 255.387 -0.071 20 30 CBEDRO C#CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000865344172 583903692 /nfs/dbraw/zinc/90/36/92/583903692.db2.gz YXZBVUYKMZAQLJ-NEPJUHHUSA-N 1 0 292.339 -0.414 20 30 CBEDRO C=CCNC(=O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707794 583927839 /nfs/dbraw/zinc/92/78/39/583927839.db2.gz KBOAKKQOOLDMHN-UTUOFQBUSA-N 1 0 294.355 -0.845 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866832126 583934646 /nfs/dbraw/zinc/93/46/46/583934646.db2.gz ZNFHOVZAXLXDHW-GHMZBOCLSA-N 1 0 272.374 -0.097 20 30 CBEDRO C#CCCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866885877 583935939 /nfs/dbraw/zinc/93/59/39/583935939.db2.gz NBDLUXOBPHEFTD-UHFFFAOYSA-N 1 0 287.429 -0.043 20 30 CBEDRO C#C[C@H](CC)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867198945 583943529 /nfs/dbraw/zinc/94/35/29/583943529.db2.gz RYOXWSMUZVEDON-CYBMUJFWSA-N 1 0 287.429 -0.045 20 30 CBEDRO C#C[C@@H]1COCCN1S(=O)(=O)CC1(N(C)C)CC1 ZINC000867386383 583950800 /nfs/dbraw/zinc/95/08/00/583950800.db2.gz FCSUHPLTJXHPFS-LLVKDONJSA-N 1 0 272.370 -0.256 20 30 CBEDRO C#CC[C@H](COC)NS(=O)(=O)CCC[NH+](C)C ZINC000867569172 583958227 /nfs/dbraw/zinc/95/82/27/583958227.db2.gz VXZWSFRCWMOEQX-LLVKDONJSA-N 1 0 262.375 -0.104 20 30 CBEDRO N#CCc1ccsc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000867966058 583967875 /nfs/dbraw/zinc/96/78/75/583967875.db2.gz KHRJNLPTMUAJMV-UHFFFAOYSA-N 1 0 292.364 -0.024 20 30 CBEDRO CN1CCn2nc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2C1 ZINC000868206413 583972872 /nfs/dbraw/zinc/97/28/72/583972872.db2.gz XHBHBWCTPGWZOB-ONGXEEELSA-N 1 0 289.343 -0.438 20 30 CBEDRO C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C#N)CCCOC1 ZINC000868345596 583975444 /nfs/dbraw/zinc/97/54/44/583975444.db2.gz LQARSDBRTAUAGL-PWSUYJOCSA-N 1 0 255.318 -0.655 20 30 CBEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869778763 584004339 /nfs/dbraw/zinc/00/43/39/584004339.db2.gz JIQKSVLFNCSBGM-LBPRGKRZSA-N 1 0 268.357 -0.012 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871816776 584046193 /nfs/dbraw/zinc/04/61/93/584046193.db2.gz KRLPOIOPUCORTD-QWRGUYRKSA-N 1 0 272.374 -0.049 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872206571 584050266 /nfs/dbraw/zinc/05/02/66/584050266.db2.gz XDYHMVCVHZKETE-JTQLQIEISA-N 1 0 265.375 -0.301 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283899 584053196 /nfs/dbraw/zinc/05/31/96/584053196.db2.gz IJBCVSHSOCVDAE-UHFFFAOYSA-N 1 0 293.367 -0.503 20 30 CBEDRO C[NH+]1CCC(C=NNC(=S)NCC(N)=O)CC1 ZINC000872350600 584055865 /nfs/dbraw/zinc/05/58/65/584055865.db2.gz SZIZRNJIYBGDKU-UHFFFAOYSA-N 1 0 257.363 -0.737 20 30 CBEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)Nc1ccc(C#N)cn1)C2 ZINC000873109327 584068271 /nfs/dbraw/zinc/06/82/71/584068271.db2.gz MCFSXQBHRWBHLQ-XHDPSFHLSA-N 1 0 299.334 -0.040 20 30 CBEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cnc(C#N)n1 ZINC000874839730 584092710 /nfs/dbraw/zinc/09/27/10/584092710.db2.gz XOMGCFWPEAPWHW-QWRGUYRKSA-N 1 0 274.328 -0.155 20 30 CBEDRO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000875124877 584099123 /nfs/dbraw/zinc/09/91/23/584099123.db2.gz AVYCCEQCRKGWKR-LLVKDONJSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000875124878 584099162 /nfs/dbraw/zinc/09/91/62/584099162.db2.gz AVYCCEQCRKGWKR-NSHDSACASA-N 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C#CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000915908844 657755024 /nfs/dbraw/zinc/75/50/24/657755024.db2.gz REUFEIJCZOFYSR-UHFFFAOYSA-N 1 0 252.362 -0.055 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(N)=O)CC1 ZINC001017879818 657786935 /nfs/dbraw/zinc/78/69/35/657786935.db2.gz FGVNSIKXYGETFE-TXEJJXNPSA-N 1 0 275.352 -0.050 20 30 CBEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1)C(N)=O ZINC001018679232 657838156 /nfs/dbraw/zinc/83/81/56/657838156.db2.gz KQVBXDVPZFKJSE-SCZZXKLOSA-N 1 0 275.312 -0.436 20 30 CBEDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(N)=O ZINC001018722648 657840249 /nfs/dbraw/zinc/84/02/49/657840249.db2.gz AEEBPMWTWKJLJK-WDEREUQCSA-N 1 0 289.339 -0.046 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001018717280 657840428 /nfs/dbraw/zinc/84/04/28/657840428.db2.gz RQLQWWNOBQZMAO-MNOVXSKESA-N 1 0 250.298 -0.237 20 30 CBEDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)[nH]1 ZINC001018730445 657842185 /nfs/dbraw/zinc/84/21/85/657842185.db2.gz BTCCKGPSJNLPGX-QWRGUYRKSA-N 1 0 287.323 -0.421 20 30 CBEDRO C#CCCS(=O)(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000918962308 657842246 /nfs/dbraw/zinc/84/22/46/657842246.db2.gz KLAAGRDJLPCIJE-GFCCVEGCSA-N 1 0 274.386 -0.272 20 30 CBEDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(N)=O ZINC001018747669 657842656 /nfs/dbraw/zinc/84/26/56/657842656.db2.gz JLTWOHYVLJDEAF-CMPLNLGQSA-N 1 0 289.339 -0.046 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001018787737 657845462 /nfs/dbraw/zinc/84/54/62/657845462.db2.gz PTABLZCHOBFCIC-VHSXEESVSA-N 1 0 253.302 -0.139 20 30 CBEDRO O=C(C#CC1CC1)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018824240 657847975 /nfs/dbraw/zinc/84/79/75/657847975.db2.gz UJUFAAQBEYOPKB-ZDUSSCGKSA-N 1 0 275.352 -0.177 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cccc(C)c2=O)C1 ZINC001018841769 657849228 /nfs/dbraw/zinc/84/92/28/657849228.db2.gz MBDXRSZGBVZLBO-ZDUSSCGKSA-N 1 0 273.336 -0.020 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1 ZINC001018846653 657849997 /nfs/dbraw/zinc/84/99/97/657849997.db2.gz KVLCPVYCYVKSHU-NSHDSACASA-N 1 0 273.340 -0.020 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001018909746 657852377 /nfs/dbraw/zinc/85/23/77/657852377.db2.gz BCRJVQVESHFPGH-JTQLQIEISA-N 1 0 270.296 -0.438 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001018934626 657853670 /nfs/dbraw/zinc/85/36/70/657853670.db2.gz VALXNGGTGDOVMV-OLZOCXBDSA-N 1 0 293.367 -0.695 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001018961407 657855015 /nfs/dbraw/zinc/85/50/15/657855015.db2.gz CJBQWIMZVAQLSA-RYUDHWBXSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001019054090 657859771 /nfs/dbraw/zinc/85/97/71/657859771.db2.gz XTHXCWRPJPOOSF-LBPRGKRZSA-N 1 0 259.309 -0.177 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001019057105 657860177 /nfs/dbraw/zinc/86/01/77/657860177.db2.gz CYTPMVXJFAZQHB-MNOVXSKESA-N 1 0 291.355 -0.077 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001019057460 657860321 /nfs/dbraw/zinc/86/03/21/657860321.db2.gz RGRHMHOHDVTHQZ-MNOVXSKESA-N 1 0 289.339 -0.630 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001019073519 657861025 /nfs/dbraw/zinc/86/10/25/657861025.db2.gz AXUYWGZYFPUKQW-QWRGUYRKSA-N 1 0 251.330 -0.111 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001019114149 657865070 /nfs/dbraw/zinc/86/50/70/657865070.db2.gz YJLHQWMXYKECSE-RYUDHWBXSA-N 1 0 278.356 -0.399 20 30 CBEDRO N#CCN[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168686 657867541 /nfs/dbraw/zinc/86/75/41/657867541.db2.gz QNSVLDAWGSKELG-SBEAFCBVSA-N 1 0 290.367 -0.436 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001019166687 657867677 /nfs/dbraw/zinc/86/76/77/657867677.db2.gz OAPZTTWXGWHNEL-JTQLQIEISA-N 1 0 262.313 -0.230 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001019195121 657869022 /nfs/dbraw/zinc/86/90/22/657869022.db2.gz QOHDJLHLCPXZMD-MELADBBJSA-N 1 0 295.383 -0.001 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001019192482 657869407 /nfs/dbraw/zinc/86/94/07/657869407.db2.gz JIMKQKLGUXYEAZ-NSHDSACASA-N 1 0 299.334 -0.232 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019308982 657881602 /nfs/dbraw/zinc/88/16/02/657881602.db2.gz MUAIOCZLRNIAMC-UWVGGRQHSA-N 1 0 252.318 -0.566 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001019387982 657891881 /nfs/dbraw/zinc/89/18/81/657891881.db2.gz CXQIKHBWNAZALC-AXFHLTTASA-N 1 0 251.330 -0.126 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001019412804 657894993 /nfs/dbraw/zinc/89/49/93/657894993.db2.gz YALZQSUOGDHDNY-RYUDHWBXSA-N 1 0 288.355 -0.551 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527498 657905325 /nfs/dbraw/zinc/90/53/25/657905325.db2.gz FUFLRQXPIONLJC-JTQLQIEISA-N 1 0 280.328 -0.695 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001019555024 657911927 /nfs/dbraw/zinc/91/19/27/657911927.db2.gz VWOCUOTZHVGGFL-JTQLQIEISA-N 1 0 290.323 -0.438 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001019624104 657921798 /nfs/dbraw/zinc/92/17/98/657921798.db2.gz WQYYFECWCLBAHH-NEPJUHHUSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001019647679 657927703 /nfs/dbraw/zinc/92/77/03/657927703.db2.gz XFJAPZNPAQQQOL-QMMMGPOBSA-N 1 0 292.295 -0.666 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC001019689536 657929658 /nfs/dbraw/zinc/92/96/58/657929658.db2.gz KZEMSNMFBVNQNM-LBPRGKRZSA-N 1 0 276.340 -0.072 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001019713167 657931721 /nfs/dbraw/zinc/93/17/21/657931721.db2.gz QSEOAOUHXSBYLB-STQMWFEESA-N 1 0 263.341 -0.322 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001019741002 657932856 /nfs/dbraw/zinc/93/28/56/657932856.db2.gz BCMRXHJDUURVBB-JTQLQIEISA-N 1 0 262.313 -0.230 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001019721842 657933267 /nfs/dbraw/zinc/93/32/67/657933267.db2.gz XACOUEXOOOSLEH-NSHDSACASA-N 1 0 279.344 -0.733 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001019747615 657933537 /nfs/dbraw/zinc/93/35/37/657933537.db2.gz ANJMMLKXEWUWHM-NSHDSACASA-N 1 0 294.355 -0.353 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001019785376 657941126 /nfs/dbraw/zinc/94/11/26/657941126.db2.gz APJHIIKEIUNMME-LBPRGKRZSA-N 1 0 272.308 -0.382 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001019805936 657942874 /nfs/dbraw/zinc/94/28/74/657942874.db2.gz CGEHRXXDQFCJLP-STQMWFEESA-N 1 0 287.367 -0.027 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001019799160 657944254 /nfs/dbraw/zinc/94/42/54/657944254.db2.gz CPNPKUGYYPYCNR-LSDHHAIUSA-N 1 0 291.395 -0.079 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(OC)ncnc2OC)C1 ZINC001019878617 657956429 /nfs/dbraw/zinc/95/64/29/657956429.db2.gz UTNBQMGMUDYDHL-JTQLQIEISA-N 1 0 290.323 -0.069 20 30 CBEDRO C#CCOCCNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000921936431 657965132 /nfs/dbraw/zinc/96/51/32/657965132.db2.gz OLXJZHPQLVOHOI-GFCCVEGCSA-N 1 0 271.361 -0.098 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001020045521 657998533 /nfs/dbraw/zinc/99/85/33/657998533.db2.gz DKCFJIKLFQGZSF-SRVKXCTJSA-N 1 0 253.346 -0.260 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001020210369 658026167 /nfs/dbraw/zinc/02/61/67/658026167.db2.gz AQLCHIXGCBGPHK-JHJVBQTASA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3n(n2)CCO3)C1 ZINC001020243487 658029686 /nfs/dbraw/zinc/02/96/86/658029686.db2.gz JYLHXWUQIHBMFS-MGCOHNPYSA-N 1 0 260.297 -0.241 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001020287940 658034698 /nfs/dbraw/zinc/03/46/98/658034698.db2.gz ROIKICLNZKHNTR-FDYHWXHSSA-N 1 0 265.357 -0.425 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 ZINC001020298617 658035661 /nfs/dbraw/zinc/03/56/61/658035661.db2.gz NOZWWVVWRHIYPG-MGCOHNPYSA-N 1 0 290.323 -0.023 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001020305936 658036851 /nfs/dbraw/zinc/03/68/51/658036851.db2.gz VHEOFESMCHICAR-IJLUTSLNSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCCN2CC)C1 ZINC001020330456 658038760 /nfs/dbraw/zinc/03/87/60/658038760.db2.gz XDMXPLIKTXHWMD-AVGNSLFASA-N 1 0 265.357 -0.423 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001020328286 658039071 /nfs/dbraw/zinc/03/90/71/658039071.db2.gz WTVBRORAUDWNDR-MGCOHNPYSA-N 1 0 265.317 -0.995 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001020347972 658042406 /nfs/dbraw/zinc/04/24/06/658042406.db2.gz HUMXCFPZVWKZOY-XYPYZODXSA-N 1 0 266.345 -0.176 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 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CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCN2CC#N)C1 ZINC001038620084 801228229 /nfs/dbraw/zinc/22/82/29/801228229.db2.gz BIBRWNFJCTXCSQ-QWHCGFSZSA-N 1 0 280.372 -0.190 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001038648314 801232373 /nfs/dbraw/zinc/23/23/73/801232373.db2.gz CNLCUAIJKBWBGQ-SNVBAGLBSA-N 1 0 260.297 -0.403 20 30 CBEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038649164 801232506 /nfs/dbraw/zinc/23/25/06/801232506.db2.gz GCCGCELJVWMFHL-ZJUUUORDSA-N 1 0 252.318 -0.566 20 30 CBEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001038653434 801233426 /nfs/dbraw/zinc/23/34/26/801233426.db2.gz XFMOSQJAHLIIJM-UWVGGRQHSA-N 1 0 252.318 -0.566 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001038656464 801234643 /nfs/dbraw/zinc/23/46/43/801234643.db2.gz DRJXVXSBHKGGBE-SNVBAGLBSA-N 1 0 262.313 -0.047 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001038994759 801275861 /nfs/dbraw/zinc/27/58/61/801275861.db2.gz 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CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189635 801446836 /nfs/dbraw/zinc/44/68/36/801446836.db2.gz JHTCZZGIUQJGBT-VXGBXAGGSA-N 1 0 288.355 -0.230 20 30 CBEDRO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042189184 801447805 /nfs/dbraw/zinc/44/78/05/801447805.db2.gz DGBNNAGSTVFFBP-WDEREUQCSA-N 1 0 276.344 -0.068 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nnn(C)n3)C[C@H]21 ZINC001042191749 801448659 /nfs/dbraw/zinc/44/86/59/801448659.db2.gz SRRWKLFGQPPBPP-GHMZBOCLSA-N 1 0 274.328 -0.620 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 ZINC001042274440 801454843 /nfs/dbraw/zinc/45/48/43/801454843.db2.gz FRQWYCBWLXQKCA-MNOVXSKESA-N 1 0 259.313 -0.026 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(C)n3)C[C@H]21 ZINC001042266464 801455205 /nfs/dbraw/zinc/45/52/05/801455205.db2.gz NWUUMMSSOYDRHS-DGCLKSJQSA-N 1 0 273.340 -0.015 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cnnn3)C[C@@H]21 ZINC001042286890 801456910 /nfs/dbraw/zinc/45/69/10/801456910.db2.gz CWTUBADUHQSHFT-OLZOCXBDSA-N 1 0 288.355 -0.381 20 30 CBEDRO C#CCN1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042756142 801516811 /nfs/dbraw/zinc/51/68/11/801516811.db2.gz MBBHIJLINMOZAH-JSGCOSHPSA-N 1 0 277.368 -0.375 20 30 CBEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)CN2CCOCC2=O)C1 ZINC001042933673 801530317 /nfs/dbraw/zinc/53/03/17/801530317.db2.gz PWLUOTDXAWUQFL-UHFFFAOYSA-N 1 0 295.383 -0.046 20 30 CBEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001042955975 801531793 /nfs/dbraw/zinc/53/17/93/801531793.db2.gz CBLZCDYAELZDLU-NSHDSACASA-N 1 0 294.355 -0.307 20 30 CBEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001043515154 801571547 /nfs/dbraw/zinc/57/15/47/801571547.db2.gz DOTUFGXRSLMGCM-UHFFFAOYSA-N 1 0 294.399 -0.473 20 30 CBEDRO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677885 801582840 /nfs/dbraw/zinc/58/28/40/801582840.db2.gz NVQFKAQALHGSMC-GFCCVEGCSA-N 1 0 297.399 -0.018 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H](C)C1 ZINC001044449503 801651588 /nfs/dbraw/zinc/65/15/88/801651588.db2.gz BLURTXKEKIDATF-MNOVXSKESA-N 1 0 264.333 -0.172 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@@H](C)C1 ZINC001044452062 801652167 /nfs/dbraw/zinc/65/21/67/801652167.db2.gz PLWKQJKSXWSOBT-QWRGUYRKSA-N 1 0 262.317 -0.725 20 30 CBEDRO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001044549947 801656103 /nfs/dbraw/zinc/65/61/03/801656103.db2.gz IEBRFCCJTYRFKS-KOLCDFICSA-N 1 0 289.339 -0.046 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)[C@@H](C)C1 ZINC001044552167 801656525 /nfs/dbraw/zinc/65/65/25/801656525.db2.gz ASVRCKVAWSUGRL-WDEREUQCSA-N 1 0 277.328 -0.414 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCOCC2)[C@H](C)C1 ZINC001044560144 801657780 /nfs/dbraw/zinc/65/77/80/801657780.db2.gz QZMNFBUJTZFUKN-ZIAGYGMSSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 ZINC001044605854 801659464 /nfs/dbraw/zinc/65/94/64/801659464.db2.gz UMNRPMSBOROXFQ-MNOVXSKESA-N 1 0 262.317 -0.725 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H](C)C1 ZINC001044657214 801661898 /nfs/dbraw/zinc/66/18/98/801661898.db2.gz JUUCMTDNMHWRML-NWDGAFQWSA-N 1 0 291.355 -0.816 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H](C)C1 ZINC001044709462 801663203 /nfs/dbraw/zinc/66/32/03/801663203.db2.gz QNHPTPOENGAGGE-STQMWFEESA-N 1 0 294.399 -0.427 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H](C)C1 ZINC001044776595 801669555 /nfs/dbraw/zinc/66/95/55/801669555.db2.gz OLODPENRMFJIHR-QWRGUYRKSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H](C)C1 ZINC001044846350 801673582 /nfs/dbraw/zinc/67/35/82/801673582.db2.gz KHDQDBARATXCBP-NEPJUHHUSA-N 1 0 288.351 -0.004 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@@H](C)C1 ZINC001044847987 801673721 /nfs/dbraw/zinc/67/37/21/801673721.db2.gz WJENOLBWFRLBFG-RYUDHWBXSA-N 1 0 261.329 -0.120 20 30 CBEDRO 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280.353 -0.398 20 30 CBEDRO COC(=O)C1(C#N)CCN(C[C@@H](O)[C@@H](C)O)CC1 ZINC001119784606 812887598 /nfs/dbraw/zinc/88/75/98/812887598.db2.gz IWDDSBOOICWKLH-NXEZZACHSA-N 1 0 256.302 -0.493 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159188983 815562454 /nfs/dbraw/zinc/56/24/54/815562454.db2.gz FPXVTKPRVOZNBC-UHFFFAOYSA-N 1 0 297.808 -0.226 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159201423 815562506 /nfs/dbraw/zinc/56/25/06/815562506.db2.gz VCEJIIQNQLOFOS-UHFFFAOYSA-N 1 0 275.374 -0.955 20 30 CBEDRO COCC#CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001119992595 812921026 /nfs/dbraw/zinc/92/10/26/812921026.db2.gz OOMNZXHJDGEYMR-STQMWFEESA-N 1 0 266.341 -0.306 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@@H](C)[NH2+]1 ZINC001120271152 812944878 /nfs/dbraw/zinc/94/48/78/812944878.db2.gz WLYDPVCUIKCHPY-JTNHKYCSSA-N 1 0 294.355 -0.664 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H](C)[NH2+]1 ZINC001120271153 812945541 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C#CCn1cc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cn1 ZINC001120511036 812977848 /nfs/dbraw/zinc/97/78/48/812977848.db2.gz CSFFBLGZKHIYHM-CQSZACIVSA-N 1 0 275.356 -0.188 20 30 CBEDRO COC[C@H]1C[NH2+]CCN1C(=O)NC1CCN(CC#N)CC1 ZINC001120503956 812978319 /nfs/dbraw/zinc/97/83/19/812978319.db2.gz CTHWJBDVHJZSDD-CYBMUJFWSA-N 1 0 295.387 -0.396 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001120540276 812987068 /nfs/dbraw/zinc/98/70/68/812987068.db2.gz SASVMJSCPMANKR-QJPTWQEYSA-N 1 0 279.340 -0.909 20 30 CBEDRO CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3cnnn3)C2)C1 ZINC001120587155 812997623 /nfs/dbraw/zinc/99/76/23/812997623.db2.gz MBGFGDXHFKSUBU-UHFFFAOYSA-N 1 0 288.355 -0.287 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159302623 815568740 /nfs/dbraw/zinc/56/87/40/815568740.db2.gz KBTMZHDKZABTJI-NSHDSACASA-N 1 0 279.340 -0.357 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCC(=O)NCc1ccccn1 ZINC001120599662 812997777 /nfs/dbraw/zinc/99/77/77/812997777.db2.gz OPCXYOJFUGCMOL-UHFFFAOYSA-N 1 0 288.351 -0.183 20 30 CBEDRO C#CCN(C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC001120588304 812997872 /nfs/dbraw/zinc/99/78/72/812997872.db2.gz SAGRCSRASSATQR-SRVKXCTJSA-N 1 0 299.396 -0.444 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCN(C(N)=O)C1 ZINC001120603275 812999319 /nfs/dbraw/zinc/99/93/19/812999319.db2.gz ONFWVFJRHSQEKM-LLVKDONJSA-N 1 0 266.345 -0.494 20 30 CBEDRO C#C[C@H](C)NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120652782 813005820 /nfs/dbraw/zinc/00/58/20/813005820.db2.gz JVVCVWFBXORNMN-WDEREUQCSA-N 1 0 279.340 -0.007 20 30 CBEDRO C=CCOCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001120821253 813022018 /nfs/dbraw/zinc/02/20/18/813022018.db2.gz XTCNTDPEDXLUIC-UHFFFAOYSA-N 1 0 295.383 -0.048 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)CCNC(=O)NC)C2)C1 ZINC001121064341 813041416 /nfs/dbraw/zinc/04/14/16/813041416.db2.gz CNFSWECUXYPBHH-UHFFFAOYSA-N 1 0 292.383 -0.044 20 30 CBEDRO C#CCOCCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121102464 813043892 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C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128649772 813788246 /nfs/dbraw/zinc/78/82/46/813788246.db2.gz HOZYVJAEIBUUKE-GFCCVEGCSA-N 1 0 283.372 -0.237 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665506 813791840 /nfs/dbraw/zinc/79/18/40/813791840.db2.gz PLZJQNOAQLNHKD-SECBINFHSA-N 1 0 259.737 -0.077 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128686931 813794793 /nfs/dbraw/zinc/79/47/93/813794793.db2.gz YZZRPFTYMQJPIB-UHFFFAOYSA-N 1 0 277.752 -0.403 20 30 CBEDRO CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n2ccnn2)C1 ZINC001128829468 813803820 /nfs/dbraw/zinc/80/38/20/813803820.db2.gz DJPRBMIHFPGYOY-MXWKQRLJSA-N 1 0 262.317 -0.201 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128885605 813806025 /nfs/dbraw/zinc/80/60/25/813806025.db2.gz RLBIANAXXCOWSR-UHFFFAOYSA-N 1 0 290.327 -0.125 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CCOC)CC1 ZINC001129044123 813816383 /nfs/dbraw/zinc/81/63/83/813816383.db2.gz XFFIEYGUFDKSJJ-UHFFFAOYSA-N 1 0 281.356 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SYNACCXYNPPWPC-XQQFMLRXSA-N 1 0 293.371 -0.033 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001129771096 813863748 /nfs/dbraw/zinc/86/37/48/813863748.db2.gz QRNKEJINVSBGDY-LBPRGKRZSA-N 1 0 253.346 -0.828 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)COC ZINC001129791178 813865349 /nfs/dbraw/zinc/86/53/49/813865349.db2.gz WRWDCOKLNDZMGL-OLZOCXBDSA-N 1 0 267.373 -0.175 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129825194 813867530 /nfs/dbraw/zinc/86/75/30/813867530.db2.gz PQAYGXCSCCVCPR-NEPJUHHUSA-N 1 0 299.338 -0.320 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130072551 813902938 /nfs/dbraw/zinc/90/29/38/813902938.db2.gz QKQLRXOGAWVOOQ-UHFFFAOYSA-N 1 0 266.301 -0.296 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc[nH]c1=O ZINC001130073863 813904253 /nfs/dbraw/zinc/90/42/53/813904253.db2.gz IGWQWSANXXHNHI-SECBINFHSA-N 1 0 293.327 -0.808 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC1(F)F ZINC001130096064 813907651 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C#CCCCCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132398685 814145711 /nfs/dbraw/zinc/14/57/11/814145711.db2.gz JUTYGNOPTSUYFN-UHFFFAOYSA-N 1 0 278.356 -0.084 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001132404224 814146814 /nfs/dbraw/zinc/14/68/14/814146814.db2.gz WJYSKFNTLKDVFT-UHFFFAOYSA-N 1 0 262.375 -0.051 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001132391313 814146949 /nfs/dbraw/zinc/14/69/49/814146949.db2.gz HXMORAAGMHUILC-SECBINFHSA-N 1 0 267.329 -0.290 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132403811 814147151 /nfs/dbraw/zinc/14/71/51/814147151.db2.gz GGUDYDLGGDBLOP-UHFFFAOYSA-N 1 0 270.333 -0.640 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C=C ZINC001132404234 814148581 /nfs/dbraw/zinc/14/85/81/814148581.db2.gz XANUWSCLNZCZJF-UHFFFAOYSA-N 1 0 296.371 -0.084 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@@H]1C ZINC001132498871 814155653 /nfs/dbraw/zinc/15/56/53/814155653.db2.gz RHJNWJVIUMLCLZ-DCAQKATOSA-N 1 0 251.330 -0.514 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C(C)C ZINC001132560752 814164786 /nfs/dbraw/zinc/16/47/86/814164786.db2.gz APRGSLZNCWHRKQ-MNOVXSKESA-N 1 0 271.336 -0.176 20 30 CBEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001132569266 814164822 /nfs/dbraw/zinc/16/48/22/814164822.db2.gz NRUZUHOOMRCRCQ-QWRGUYRKSA-N 1 0 298.387 -0.004 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(C)=O)CC[C@@H]1C ZINC001132570753 814165020 /nfs/dbraw/zinc/16/50/20/814165020.db2.gz BNBNEZNTAVLHFF-WCQYABFASA-N 1 0 265.357 -0.170 20 30 CBEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132577751 814165940 /nfs/dbraw/zinc/16/59/40/814165940.db2.gz ZZRHQKGMASZFNC-QWRGUYRKSA-N 1 0 291.417 -0.300 20 30 CBEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132576652 814166158 /nfs/dbraw/zinc/16/61/58/814166158.db2.gz MOHWBKDNRBIZES-QWRGUYRKSA-N 1 0 296.371 -0.298 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001132591048 814166307 /nfs/dbraw/zinc/16/63/07/814166307.db2.gz FZJWMBYMBRUWMR-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO COCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132595355 814166583 /nfs/dbraw/zinc/16/65/83/814166583.db2.gz ZCSLRKSVWSNZTO-NWDGAFQWSA-N 1 0 296.371 -0.653 20 30 CBEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132576651 814166633 /nfs/dbraw/zinc/16/66/33/814166633.db2.gz MOHWBKDNRBIZES-MNOVXSKESA-N 1 0 296.371 -0.298 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C ZINC001132597964 814166692 /nfs/dbraw/zinc/16/66/92/814166692.db2.gz DZCMQZWSUIEJGT-YPMHNXCESA-N 1 0 265.357 -0.170 20 30 CBEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132660795 814177874 /nfs/dbraw/zinc/17/78/74/814177874.db2.gz TXMXAJBSQQVBBB-SNVBAGLBSA-N 1 0 284.360 -0.250 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132743152 814184152 /nfs/dbraw/zinc/18/41/52/814184152.db2.gz WNYPREBKGRQXIZ-UHFFFAOYSA-N 1 0 251.286 -0.427 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132739834 814185041 /nfs/dbraw/zinc/18/50/41/814185041.db2.gz WDMXISGZWGCXRA-UHFFFAOYSA-N 1 0 266.301 -0.775 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132827753 814192266 /nfs/dbraw/zinc/19/22/66/814192266.db2.gz KAYASCOSMUEKHK-NEPJUHHUSA-N 1 0 276.344 -0.620 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2nccn2)CC[C@H]1C ZINC001132851159 814194412 /nfs/dbraw/zinc/19/44/12/814194412.db2.gz OLJIAIMAJGWDCG-OLZOCXBDSA-N 1 0 275.356 -0.015 20 30 CBEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188812077 823719030 /nfs/dbraw/zinc/71/90/30/823719030.db2.gz IVLAGWKVFVPBCW-SNVBAGLBSA-N 1 0 254.334 -0.237 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001132895284 814199248 /nfs/dbraw/zinc/19/92/48/814199248.db2.gz DFWHKLOYBMPLQQ-NSHDSACASA-N 1 0 260.341 -0.136 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1ncccc1F ZINC001132901075 814199507 /nfs/dbraw/zinc/19/95/07/814199507.db2.gz OCBWPDQHTYNIRV-UHFFFAOYSA-N 1 0 294.330 -0.229 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c1C1CC1 ZINC001132972117 814205396 /nfs/dbraw/zinc/20/53/96/814205396.db2.gz WFERKNVWUJYJLF-UHFFFAOYSA-N 1 0 288.351 -0.039 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(F)c1F ZINC001133036607 814210569 /nfs/dbraw/zinc/21/05/69/814210569.db2.gz LBAXGNBHYNPBNZ-UHFFFAOYSA-N 1 0 296.277 -0.076 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133037394 814210669 /nfs/dbraw/zinc/21/06/69/814210669.db2.gz WICHPHYWNHNXHP-VXGBXAGGSA-N 1 0 290.371 -0.079 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077648 814214354 /nfs/dbraw/zinc/21/43/54/814214354.db2.gz MERCQGMLRIKJQC-VXGBXAGGSA-N 1 0 283.372 -0.252 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H](OC)C1 ZINC001133083844 814215248 /nfs/dbraw/zinc/21/52/48/814215248.db2.gz WAQSQTKERDGVET-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CCC(OC)CC1 ZINC001133085305 814215573 /nfs/dbraw/zinc/21/55/73/814215573.db2.gz CAWQMMGGXSPXEG-UHFFFAOYSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001133145431 814220917 /nfs/dbraw/zinc/22/09/17/814220917.db2.gz YRDBIKBWYDRRHO-SNVBAGLBSA-N 1 0 284.360 -0.107 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151564 814221282 /nfs/dbraw/zinc/22/12/82/814221282.db2.gz DQIGBMDZWPYRBU-UHFFFAOYSA-N 1 0 277.390 -0.273 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133185159 814222056 /nfs/dbraw/zinc/22/20/56/814222056.db2.gz WYBXGUUYSTXLJW-UHFFFAOYSA-N 1 0 290.161 -0.134 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[C@H](C)O1 ZINC001133318934 814239706 /nfs/dbraw/zinc/23/97/06/814239706.db2.gz QOUHAFBDSKTEDE-NWDGAFQWSA-N 1 0 283.372 -0.048 20 30 CBEDRO C[C@@H]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001133318611 814239818 /nfs/dbraw/zinc/23/98/18/814239818.db2.gz NROZPXMOYWMDKA-MNOVXSKESA-N 1 0 282.344 -0.710 20 30 CBEDRO C=CCC1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001133392033 814248692 /nfs/dbraw/zinc/24/86/92/814248692.db2.gz DISXIBVUHNUORW-UHFFFAOYSA-N 1 0 282.344 -0.367 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133380808 814248719 /nfs/dbraw/zinc/24/87/19/814248719.db2.gz PEXUFJXOWNSENN-CQSZACIVSA-N 1 0 296.371 -0.154 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)C1CC1)[NH2+]CC(=O)NCC#N ZINC001133441492 814253134 /nfs/dbraw/zinc/25/31/34/814253134.db2.gz CGYUBGQEVXEAAG-ZJUUUORDSA-N 1 0 266.345 -0.091 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1occc1Cl ZINC001133437419 814254106 /nfs/dbraw/zinc/25/41/06/814254106.db2.gz IZKDFOADNXMHNW-UHFFFAOYSA-N 1 0 284.703 -0.108 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1conc1CC ZINC001133484470 814260636 /nfs/dbraw/zinc/26/06/36/814260636.db2.gz COYJEZWZDXVQAE-JTQLQIEISA-N 1 0 292.339 -0.306 20 30 CBEDRO COCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133485300 814260935 /nfs/dbraw/zinc/26/09/35/814260935.db2.gz AYQLBYBPWUSFDP-MNOVXSKESA-N 1 0 284.360 -0.464 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](COC)OC)C1=O ZINC001133517383 814267669 /nfs/dbraw/zinc/26/76/69/814267669.db2.gz NATNBCBASHHJGH-NWDGAFQWSA-N 1 0 299.371 -0.860 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](COC)OC)C1=O ZINC001133517382 814268185 /nfs/dbraw/zinc/26/81/85/814268185.db2.gz NATNBCBASHHJGH-NEPJUHHUSA-N 1 0 299.371 -0.860 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133571068 814272887 /nfs/dbraw/zinc/27/28/87/814272887.db2.gz FJXHJWSIHJTFRJ-SNVBAGLBSA-N 1 0 279.340 -0.146 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133570151 814273724 /nfs/dbraw/zinc/27/37/24/814273724.db2.gz LVZBOCPITVZYGN-SNVBAGLBSA-N 1 0 251.330 -0.063 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619863 814276682 /nfs/dbraw/zinc/27/66/82/814276682.db2.gz NKERDQOQBPJHFU-MNOVXSKESA-N 1 0 284.360 -0.823 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133614710 814276654 /nfs/dbraw/zinc/27/66/54/814276654.db2.gz JJGWCZCZOOKSQP-VHSXEESVSA-N 1 0 252.322 -0.268 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)C(=O)NC)c1 ZINC001133597002 814276875 /nfs/dbraw/zinc/27/68/75/814276875.db2.gz HBVICLSFXZFAPJ-SNVBAGLBSA-N 1 0 274.324 -0.483 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC001133596942 814277031 /nfs/dbraw/zinc/27/70/31/814277031.db2.gz FOQGAIMVYYTBNP-NSHDSACASA-N 1 0 288.351 -0.141 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133623467 814279190 /nfs/dbraw/zinc/27/91/90/814279190.db2.gz MGSCLCYBEXDPHR-VHSXEESVSA-N 1 0 254.334 -0.449 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C(N)=O)co1 ZINC001133709168 814289820 /nfs/dbraw/zinc/28/98/20/814289820.db2.gz LQYYRKJQCWPESB-UHFFFAOYSA-N 1 0 279.296 -0.652 20 30 CBEDRO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CSCC#N ZINC001133736197 814290785 /nfs/dbraw/zinc/29/07/85/814290785.db2.gz LTIHNUQYEPHHDQ-NXEZZACHSA-N 1 0 286.401 -0.138 20 30 CBEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccco1 ZINC001133727943 814291730 /nfs/dbraw/zinc/29/17/30/814291730.db2.gz MFDKMZCTHGOLLM-JTQLQIEISA-N 1 0 278.312 -0.271 20 30 CBEDRO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CSCC#N ZINC001133736198 814292073 /nfs/dbraw/zinc/29/20/73/814292073.db2.gz LTIHNUQYEPHHDQ-UWVGGRQHSA-N 1 0 286.401 -0.138 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787452 814296344 /nfs/dbraw/zinc/29/63/44/814296344.db2.gz KMFALHQNCRTNIB-MNOVXSKESA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133789130 814297166 /nfs/dbraw/zinc/29/71/66/814297166.db2.gz JISOXFVZOZVUIU-NXEZZACHSA-N 1 0 255.318 -0.152 20 30 CBEDRO COCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133793631 814297937 /nfs/dbraw/zinc/29/79/37/814297937.db2.gz HTUUAUTUKPMGKT-NEPJUHHUSA-N 1 0 298.387 -0.074 20 30 CBEDRO CC(C)OCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133853027 814307064 /nfs/dbraw/zinc/30/70/64/814307064.db2.gz KPEFSNXGOBXKOY-VXGBXAGGSA-N 1 0 298.387 -0.076 20 30 CBEDRO CC(C)OCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133853024 814307242 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C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001134052994 814346233 /nfs/dbraw/zinc/34/62/33/814346233.db2.gz JHYVPNVUCHGBAT-AEJSXWLSSA-N 1 0 255.318 -0.843 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134062411 814348816 /nfs/dbraw/zinc/34/88/16/814348816.db2.gz ZOGGFXSEUUDRMG-UPJWGTAASA-N 1 0 295.383 -0.026 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099335 814351125 /nfs/dbraw/zinc/35/11/25/814351125.db2.gz QGPWXXANHGDDAS-NSHDSACASA-N 1 0 278.360 -0.093 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102594 814352476 /nfs/dbraw/zinc/35/24/76/814352476.db2.gz SBOYSFWPDIXFRK-UTUOFQBUSA-N 1 0 281.356 -0.438 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134120758 814354078 /nfs/dbraw/zinc/35/40/78/814354078.db2.gz GUVTZPVFIOIKCG-UONOGXRCSA-N 1 0 290.367 -0.121 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134128529 814354100 /nfs/dbraw/zinc/35/41/00/814354100.db2.gz 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COCC#CC[NH2+]CCNC(=O)CCc1ncccn1 ZINC001135556662 814490099 /nfs/dbraw/zinc/49/00/99/814490099.db2.gz OSNLJYQYBKCYDQ-UHFFFAOYSA-N 1 0 276.340 -0.235 20 30 CBEDRO C=CCN1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160432420 815620296 /nfs/dbraw/zinc/62/02/96/815620296.db2.gz VWPTYSVOIJPBTA-LBPRGKRZSA-N 1 0 263.345 -0.390 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135573749 814494503 /nfs/dbraw/zinc/49/45/03/814494503.db2.gz RBLSMDGKBPWYNC-UHFFFAOYSA-N 1 0 294.315 -0.849 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnon1 ZINC001135582605 814496369 /nfs/dbraw/zinc/49/63/69/814496369.db2.gz NKHTXBZUILLYFQ-MRVPVSSYSA-N 1 0 267.289 -0.920 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160171964 815612027 /nfs/dbraw/zinc/61/20/27/815612027.db2.gz IZMQZWRNZDJFAY-VIFPVBQESA-N 1 0 268.317 -0.744 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ncccn2)C1=O ZINC001135605674 814499292 /nfs/dbraw/zinc/49/92/92/814499292.db2.gz MVUSUZCOODNGGH-NSHDSACASA-N 1 0 289.339 -0.417 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001135644632 814503802 /nfs/dbraw/zinc/50/38/02/814503802.db2.gz MNVLYWGGGUDLAC-UWVGGRQHSA-N 1 0 294.359 -0.564 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccs1 ZINC001135656515 814504943 /nfs/dbraw/zinc/50/49/43/814504943.db2.gz IXXBJAMAQMXTFF-VIFPVBQESA-N 1 0 280.353 -0.400 20 30 CBEDRO CC[C@@H]1CCO[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160304465 815614921 /nfs/dbraw/zinc/61/49/21/815614921.db2.gz UWZPILUDZRPGOR-YPMHNXCESA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1OCC[C@H]1CC ZINC001160304713 815615789 /nfs/dbraw/zinc/61/57/89/815615789.db2.gz ZRIDEZBJKONXHG-OCCSQVGLSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692566 814511418 /nfs/dbraw/zinc/51/14/18/814511418.db2.gz NZCAVLBWQIKBFK-GHMZBOCLSA-N 1 0 296.371 -0.013 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnon1 ZINC001135725512 814515037 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C=C(C)C[NH2+]CCNC(=O)C(=O)NCC(F)(F)F ZINC001135910475 814537143 /nfs/dbraw/zinc/53/71/43/814537143.db2.gz FZDPKWOEOVBUOA-UHFFFAOYSA-N 1 0 267.251 -0.053 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001135908095 814537306 /nfs/dbraw/zinc/53/73/06/814537306.db2.gz SLVFHVYDLNXHDS-VXGBXAGGSA-N 1 0 293.371 -0.130 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000157 814544299 /nfs/dbraw/zinc/54/42/99/814544299.db2.gz AIEFOSJJSANMQI-NSHDSACASA-N 1 0 279.344 -0.180 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017264 814545898 /nfs/dbraw/zinc/54/58/98/814545898.db2.gz CGPQRLMROFLVJO-UHFFFAOYSA-N 1 0 279.262 -0.216 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136056827 814549906 /nfs/dbraw/zinc/54/99/06/814549906.db2.gz VKGXSNVVEMOGMB-GHMZBOCLSA-N 1 0 293.371 -0.604 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001136061569 814550427 /nfs/dbraw/zinc/55/04/27/814550427.db2.gz 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C#CCC1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001159638664 815582401 /nfs/dbraw/zinc/58/24/01/815582401.db2.gz YMKWRTUIESWCNT-UHFFFAOYSA-N 1 0 290.367 -0.084 20 30 CBEDRO N#Cc1c(Cl)ncnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159670184 815583210 /nfs/dbraw/zinc/58/32/10/815583210.db2.gz CTDRZENPBDWFIT-XPUUQOCRSA-N 1 0 253.693 -0.006 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)COC ZINC001159659660 815583350 /nfs/dbraw/zinc/58/33/50/815583350.db2.gz VZARFCAWXABNFQ-OLZOCXBDSA-N 1 0 297.399 -0.250 20 30 CBEDRO N#Cc1c(Cl)ncnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159670182 815583751 /nfs/dbraw/zinc/58/37/51/815583751.db2.gz CTDRZENPBDWFIT-POYBYMJQSA-N 1 0 253.693 -0.006 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)COC ZINC001159659661 815584002 /nfs/dbraw/zinc/58/40/02/815584002.db2.gz VZARFCAWXABNFQ-QWHCGFSZSA-N 1 0 297.399 -0.250 20 30 CBEDRO N#Cc1ncc(Cl)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159672606 815584343 /nfs/dbraw/zinc/58/43/43/815584343.db2.gz QPYKKMQCLHNCPG-XPUUQOCRSA-N 1 0 253.693 -0.006 20 30 CBEDRO N#Cc1ncc(Cl)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159672604 815585021 /nfs/dbraw/zinc/58/50/21/815585021.db2.gz QPYKKMQCLHNCPG-POYBYMJQSA-N 1 0 253.693 -0.006 20 30 CBEDRO [NH3+]CCN(CCNC(=O)C#Cc1ccccc1)N(O)N=O ZINC001142864124 814738531 /nfs/dbraw/zinc/73/85/31/814738531.db2.gz UEBUBGWGWRFREU-UHFFFAOYSA-N 1 0 291.311 -0.297 20 30 CBEDRO N#C[C@H]1C[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001142904996 814738591 /nfs/dbraw/zinc/73/85/91/814738591.db2.gz RGHJYTQVQNVIIY-IJLUTSLNSA-N 1 0 278.356 -0.150 20 30 CBEDRO Cc1nc(Cl)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1C#N ZINC001159679839 815586557 /nfs/dbraw/zinc/58/65/57/815586557.db2.gz VYBRLMVLOOQAGC-APPZFPTMSA-N 1 0 267.720 -0.276 20 30 CBEDRO C[NH+]1CCN(CCC(=O)n2nc(N)c(C#N)c2N)CC1 ZINC001143224817 814764055 /nfs/dbraw/zinc/76/40/55/814764055.db2.gz CZTUMIRSWGJPHL-UHFFFAOYSA-N 1 0 277.332 -0.803 20 30 CBEDRO C=C[C@@H]1C[C@@]1(NC(=O)CN(C)C(N)=[NH2+])C(=O)OCC ZINC001144141133 814773628 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ZINC001146201429 814779600 /nfs/dbraw/zinc/77/96/00/814779600.db2.gz ZGDCQPPILKDGEL-UHFFFAOYSA-N 1 0 253.306 -0.777 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)CCOC ZINC001146244214 814779746 /nfs/dbraw/zinc/77/97/46/814779746.db2.gz MSVOULOIXWKLJW-GFCCVEGCSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146224573 814779763 /nfs/dbraw/zinc/77/97/63/814779763.db2.gz HHRDIDXVPXOYQR-ZJUUUORDSA-N 1 0 280.328 -0.956 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146452091 814839166 /nfs/dbraw/zinc/83/91/66/814839166.db2.gz SVXZBMNMGMXOSF-VHSXEESVSA-N 1 0 277.390 -0.406 20 30 CBEDRO CC1(CCC(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001146465489 814839399 /nfs/dbraw/zinc/83/93/99/814839399.db2.gz WXMIRDARDPZEPZ-UHFFFAOYSA-N 1 0 266.345 -0.088 20 30 CBEDRO C=CCCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001146693101 814843911 /nfs/dbraw/zinc/84/39/11/814843911.db2.gz PIGKDCODFZXECN-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncoc1C1CC1 ZINC001146677732 814844289 /nfs/dbraw/zinc/84/42/89/814844289.db2.gz BPSQWTKEVCXILW-UHFFFAOYSA-N 1 0 290.323 -0.379 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C(F)F)C2)C1 ZINC001146861649 814851463 /nfs/dbraw/zinc/85/14/63/814851463.db2.gz UXGKJQVXPXZKJK-SNVBAGLBSA-N 1 0 299.321 -0.076 20 30 CBEDRO C#CCC[N@H+]1CCC2(CN(C(=O)CNC(C)=O)C2)C1 ZINC001146913868 814855487 /nfs/dbraw/zinc/85/54/87/814855487.db2.gz GLIFFEAGLHEROH-UHFFFAOYSA-N 1 0 263.341 -0.320 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146979720 814861338 /nfs/dbraw/zinc/86/13/38/814861338.db2.gz IBTQJWFNFWXDBD-GFCCVEGCSA-N 1 0 290.367 -0.130 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147003787 814866210 /nfs/dbraw/zinc/86/62/10/814866210.db2.gz NCMYWYVTKLONNN-SMDDNHRTSA-N 1 0 281.356 -0.579 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147028497 814869096 /nfs/dbraw/zinc/86/90/96/814869096.db2.gz SQLMUZVAVZTXIP-NSHDSACASA-N 1 0 277.328 -0.418 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CCCOC ZINC001147043147 814871653 /nfs/dbraw/zinc/87/16/53/814871653.db2.gz HTUKTXSFMYHFFY-STQMWFEESA-N 1 0 297.399 -0.107 20 30 CBEDRO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001147250691 814881108 /nfs/dbraw/zinc/88/11/08/814881108.db2.gz NJFSLYVBZSHVSN-UHFFFAOYSA-N 1 0 295.383 -0.189 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321657 814888676 /nfs/dbraw/zinc/88/86/76/814888676.db2.gz QSMNRZACTDKXHH-NSHDSACASA-N 1 0 266.345 -0.351 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147320587 814888726 /nfs/dbraw/zinc/88/87/26/814888726.db2.gz HVFWBANEQXXERQ-LBPRGKRZSA-N 1 0 296.371 -0.725 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](CC=C)C2 ZINC001147391372 814892416 /nfs/dbraw/zinc/89/24/16/814892416.db2.gz DXOQWEGYGUMLFZ-UHFFFAOYSA-N 1 0 275.352 -0.154 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001147422222 814893509 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C=CCOCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001319431734 817203477 /nfs/dbraw/zinc/20/34/77/817203477.db2.gz WBJSVDLBZGSRPK-NXEZZACHSA-N 1 0 257.334 -0.501 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001319448062 817204722 /nfs/dbraw/zinc/20/47/22/817204722.db2.gz HQHLPHVYCJXPFS-QWRGUYRKSA-N 1 0 284.360 -0.871 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccn(C)c1 ZINC001319442933 817204777 /nfs/dbraw/zinc/20/47/77/817204777.db2.gz OLZXSZVAHLRMTA-LLVKDONJSA-N 1 0 291.355 -0.285 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319451951 817206737 /nfs/dbraw/zinc/20/67/37/817206737.db2.gz IPMLCYCRYGGKMF-BXUZGUMPSA-N 1 0 296.371 -0.610 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCNS(C)(=O)=O ZINC001319466816 817207764 /nfs/dbraw/zinc/20/77/64/817207764.db2.gz PDEKGCDCMCDUQX-SNVBAGLBSA-N 1 0 277.390 -0.452 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001319494175 817210821 /nfs/dbraw/zinc/21/08/21/817210821.db2.gz QQGVSQPHUSUPKU-NEPJUHHUSA-N 1 0 286.397 -0.119 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001319534760 817216474 /nfs/dbraw/zinc/21/64/74/817216474.db2.gz STFTWGBMWPHRRE-VXGBXAGGSA-N 1 0 290.371 -0.305 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CCC1=O ZINC001319576573 817221063 /nfs/dbraw/zinc/22/10/63/817221063.db2.gz DGUHFXOWWMPQKT-LLVKDONJSA-N 1 0 279.340 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001319575663 817221382 /nfs/dbraw/zinc/22/13/82/817221382.db2.gz ZCHDZZNCYSQQGH-SECBINFHSA-N 1 0 278.312 -0.831 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC(N)=O ZINC001319603412 817223396 /nfs/dbraw/zinc/22/33/96/817223396.db2.gz FOSWHXSMMAKULW-GFCCVEGCSA-N 1 0 283.372 -0.368 20 30 CBEDRO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319633065 817228393 /nfs/dbraw/zinc/22/83/93/817228393.db2.gz CWCFWUHJKFESEO-FRRDWIJNSA-N 1 0 295.383 -0.227 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001319679262 817232792 /nfs/dbraw/zinc/23/27/92/817232792.db2.gz HWPFUFSKQJGLIT-NWDGAFQWSA-N 1 0 283.372 -0.109 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001319774781 817241672 /nfs/dbraw/zinc/24/16/72/817241672.db2.gz OJYFQRKPXMSBKI-NWDGAFQWSA-N 1 0 278.356 -0.338 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CN1C(=O)CCC1=O)C(C)C ZINC001319956946 817259415 /nfs/dbraw/zinc/25/94/15/817259415.db2.gz GXRDIYBSJYHTII-NSHDSACASA-N 1 0 279.340 -0.501 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)COCc1nccn1C ZINC001320008829 817267777 /nfs/dbraw/zinc/26/77/77/817267777.db2.gz BMUJXAKMBUHLOL-UHFFFAOYSA-N 1 0 278.356 -0.040 20 30 CBEDRO CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001320116629 817279522 /nfs/dbraw/zinc/27/95/22/817279522.db2.gz UFQSAXFJAIVLHG-MNOVXSKESA-N 1 0 252.318 -0.479 20 30 CBEDRO C#CCOCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCO ZINC001320136883 817280236 /nfs/dbraw/zinc/28/02/36/817280236.db2.gz TULLNUKXTSFFPF-QWHCGFSZSA-N 1 0 268.357 -0.107 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC(N)=O ZINC001320132040 817280787 /nfs/dbraw/zinc/28/07/87/817280787.db2.gz VVUQBYNDOBTBNK-RYUDHWBXSA-N 1 0 281.356 -0.614 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccccn1 ZINC001320190261 817287232 /nfs/dbraw/zinc/28/72/32/817287232.db2.gz VWLLCTZJQQEKKZ-LLVKDONJSA-N 1 0 292.339 -0.936 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)SC ZINC001320198493 817289008 /nfs/dbraw/zinc/28/90/08/817289008.db2.gz CHEBAAWTTYSXAR-WDEREUQCSA-N 1 0 274.386 -0.546 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001320200864 817289909 /nfs/dbraw/zinc/28/99/09/817289909.db2.gz IMYSBMGQZPIXDM-UWVGGRQHSA-N 1 0 265.317 -0.854 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C ZINC001320200863 817290328 /nfs/dbraw/zinc/29/03/28/817290328.db2.gz IMYSBMGQZPIXDM-NXEZZACHSA-N 1 0 265.317 -0.854 20 30 CBEDRO Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)CSCC#N ZINC001320201914 817290714 /nfs/dbraw/zinc/29/07/14/817290714.db2.gz RGBJSHIQQZUKQE-LLVKDONJSA-N 1 0 298.368 -0.194 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001320204330 817292087 /nfs/dbraw/zinc/29/20/87/817292087.db2.gz XSWLTNGVUNUQFC-GFCCVEGCSA-N 1 0 266.345 -0.015 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CC1OCCCO1 ZINC001320212918 817293067 /nfs/dbraw/zinc/29/30/67/817293067.db2.gz CPHGEVBPASWULA-NSHDSACASA-N 1 0 272.345 -0.218 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001320218749 817295825 /nfs/dbraw/zinc/29/58/25/817295825.db2.gz USBTXPCZFBYSSW-DGCLKSJQSA-N 1 0 293.367 -0.843 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](OCC)C(C)C ZINC001320219434 817296787 /nfs/dbraw/zinc/29/67/87/817296787.db2.gz YBUBQUZIBKAXEN-NWDGAFQWSA-N 1 0 256.346 -0.253 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001320226134 817297108 /nfs/dbraw/zinc/29/71/08/817297108.db2.gz ABHVTWLBCJRYDZ-GXTWGEPZSA-N 1 0 292.383 -0.082 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001320227750 817298078 /nfs/dbraw/zinc/29/80/78/817298078.db2.gz UIRRKOWSNIPDGV-VIFPVBQESA-N 1 0 286.282 -0.018 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001320227209 817298210 /nfs/dbraw/zinc/29/82/10/817298210.db2.gz MMOLBWSTNAKEGS-LLVKDONJSA-N 1 0 276.340 -0.467 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001320230483 817300237 /nfs/dbraw/zinc/30/02/37/817300237.db2.gz JWPJHIZOOHQWTE-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2n[nH]nc21 ZINC001320245062 817302312 /nfs/dbraw/zinc/30/23/12/817302312.db2.gz KXNQXWCGRWSUFJ-VIFPVBQESA-N 1 0 288.311 -0.944 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001320246223 817303899 /nfs/dbraw/zinc/30/38/99/817303899.db2.gz PCZAPCPCWMZVEA-STQMWFEESA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001320250690 817304269 /nfs/dbraw/zinc/30/42/69/817304269.db2.gz SUHBSJCDPQVPFY-SNVBAGLBSA-N 1 0 298.318 -0.864 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nnnn2c1 ZINC001320249365 817304673 /nfs/dbraw/zinc/30/46/73/817304673.db2.gz KNYJCAZLKXXWBI-LLVKDONJSA-N 1 0 290.327 -0.619 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001320255986 817305669 /nfs/dbraw/zinc/30/56/69/817305669.db2.gz CLFUTJBPDUTKDT-NSHDSACASA-N 1 0 283.372 -0.456 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001320260650 817306819 /nfs/dbraw/zinc/30/68/19/817306819.db2.gz AMFQBXOPHWIKAV-CHWSQXEVSA-N 1 0 273.336 -0.189 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1csnn1 ZINC001320259830 817306902 /nfs/dbraw/zinc/30/69/02/817306902.db2.gz PCPIZALFMYNQRF-MRVPVSSYSA-N 1 0 256.331 -0.206 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1nc(C(C)C)no1 ZINC001320259798 817306966 /nfs/dbraw/zinc/30/69/66/817306966.db2.gz OSZAHFQKHDOMQV-NSHDSACASA-N 1 0 294.355 -0.175 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320260973 817307103 /nfs/dbraw/zinc/30/71/03/817307103.db2.gz VVNBDISRXXISRX-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001320259107 817307532 /nfs/dbraw/zinc/30/75/32/817307532.db2.gz OSFAUQRSNVVMNO-UWVGGRQHSA-N 1 0 271.361 -0.600 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320262418 817308054 /nfs/dbraw/zinc/30/80/54/817308054.db2.gz IKYTUUGTKSFRQQ-WUHRBBMRSA-N 1 0 268.357 -0.088 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccoc1CC(N)=O ZINC001320265088 817308160 /nfs/dbraw/zinc/30/81/60/817308160.db2.gz VNCFXDSOEMWORM-SECBINFHSA-N 1 0 281.312 -0.826 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccoc1CC(N)=O ZINC001320265089 817308526 /nfs/dbraw/zinc/30/85/26/817308526.db2.gz VNCFXDSOEMWORM-VIFPVBQESA-N 1 0 281.312 -0.826 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001320272166 817309299 /nfs/dbraw/zinc/30/92/99/817309299.db2.gz GKYWMFKXLFLGJY-LBPRGKRZSA-N 1 0 281.360 -0.610 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nonc2c1 ZINC001320270387 817309642 /nfs/dbraw/zinc/30/96/42/817309642.db2.gz LZKFFURXLFAJDC-LLVKDONJSA-N 1 0 288.307 -0.074 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001320272691 817310169 /nfs/dbraw/zinc/31/01/69/817310169.db2.gz IUMOUQRHHPXLIS-LBPRGKRZSA-N 1 0 294.355 -0.643 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001320269945 817310291 /nfs/dbraw/zinc/31/02/91/817310291.db2.gz DVKJPCZUUPJKMD-MFKMUULPSA-N 1 0 271.361 -0.599 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001320271139 817310314 /nfs/dbraw/zinc/31/03/14/817310314.db2.gz BKMDDCPNVXTECG-NWDGAFQWSA-N 1 0 297.399 -0.114 20 30 CBEDRO CO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001320364252 817327734 /nfs/dbraw/zinc/32/77/34/817327734.db2.gz ZHGZFGBEYPMHIH-UWVGGRQHSA-N 1 0 270.333 -0.855 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001320283325 817312238 /nfs/dbraw/zinc/31/22/38/817312238.db2.gz XXXZPSMKARZVSO-LLVKDONJSA-N 1 0 252.318 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2cccnn21 ZINC001320282104 817312406 /nfs/dbraw/zinc/31/24/06/817312406.db2.gz GHDYEPNWHKWVRR-JTQLQIEISA-N 1 0 273.296 -0.957 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001320283290 817313336 /nfs/dbraw/zinc/31/33/36/817313336.db2.gz XHQOORIDNFRYSV-NSHDSACASA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ncccn1 ZINC001320286983 817313986 /nfs/dbraw/zinc/31/39/86/817313986.db2.gz SPANXNKCPRUPKW-NSHDSACASA-N 1 0 262.313 -0.891 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(COC)on1 ZINC001320284707 817314413 /nfs/dbraw/zinc/31/44/13/817314413.db2.gz WOEOBPNXCLFEQA-JTQLQIEISA-N 1 0 281.312 -0.475 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1ccnc1C ZINC001320286804 817314420 /nfs/dbraw/zinc/31/44/20/817314420.db2.gz PTVQYDLWSWRBHP-CYBMUJFWSA-N 1 0 278.356 -0.328 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncc(OC)n1 ZINC001320284686 817314712 /nfs/dbraw/zinc/31/47/12/817314712.db2.gz WCAVTMWELNKVAJ-SNVBAGLBSA-N 1 0 278.312 -0.811 20 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C[C@@H]1CN(CC(=O)NCC#N)[C@@H](C)C[N@@H+]1CCO ZINC001171296773 820356214 /nfs/dbraw/zinc/35/62/14/820356214.db2.gz HDNYLVXQBNDAJX-MNOVXSKESA-N 1 0 254.334 -0.987 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(CC)cn1 ZINC001171337963 820358687 /nfs/dbraw/zinc/35/86/87/820358687.db2.gz UEIAPJKOTRRENZ-UHFFFAOYSA-N 1 0 291.355 -0.638 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001171363174 820359221 /nfs/dbraw/zinc/35/92/21/820359221.db2.gz BTWFPUDBGXWTMT-ONGXEEELSA-N 1 0 292.343 -0.466 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171621518 820364199 /nfs/dbraw/zinc/36/41/99/820364199.db2.gz XIXJMBVAJJEKSG-MNOVXSKESA-N 1 0 296.371 -0.948 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CCOCCO)cn1 ZINC001171594600 820364341 /nfs/dbraw/zinc/36/43/41/820364341.db2.gz JCBBTCFODVXDOL-UHFFFAOYSA-N 1 0 291.351 -0.219 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171709989 820367438 /nfs/dbraw/zinc/36/74/38/820367438.db2.gz PAXBDVUPGBPEMF-UHFFFAOYSA-N 1 0 276.340 -0.329 20 30 CBEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C(CO)(CO)CO ZINC001172302110 820392206 /nfs/dbraw/zinc/39/22/06/820392206.db2.gz DJXKPOPAXCMVRC-LLVKDONJSA-N 1 0 264.325 -0.205 20 30 CBEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001172305349 820395242 /nfs/dbraw/zinc/39/52/42/820395242.db2.gz RPFYUBJTPBMMGR-SKDRFNHKSA-N 1 0 274.324 -0.192 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173752841 820412113 /nfs/dbraw/zinc/41/21/13/820412113.db2.gz QYONXLFESYLMQC-VLEAKVRGSA-N 1 0 280.332 -0.018 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1cnn(C)c1OC ZINC001174731059 820415513 /nfs/dbraw/zinc/41/55/13/820415513.db2.gz IPUQGZUQCBTMJQ-UHFFFAOYSA-N 1 0 294.355 -0.212 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174694621 820415746 /nfs/dbraw/zinc/41/57/46/820415746.db2.gz UGNOMUCQTNICBC-VXGBXAGGSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CCC[N@@H+](CCOC)CCc1cn(CC(=O)OC)nn1 ZINC001174844083 820417142 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C#CCN1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177079789 820493017 /nfs/dbraw/zinc/49/30/17/820493017.db2.gz GHWZFVPLFMKGEN-KGLIPLIRSA-N 1 0 279.384 -0.127 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001177269907 820500920 /nfs/dbraw/zinc/50/09/20/820500920.db2.gz YLGXSIWSBWDZCM-SNVBAGLBSA-N 1 0 282.348 -0.603 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001177269113 820500944 /nfs/dbraw/zinc/50/09/44/820500944.db2.gz DZDRDMRCVXLBAT-SNVBAGLBSA-N 1 0 297.359 -0.705 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001177264742 820501580 /nfs/dbraw/zinc/50/15/80/820501580.db2.gz XLQBCBCXWGNYEM-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001177273265 820501715 /nfs/dbraw/zinc/50/17/15/820501715.db2.gz LMYBNYXTVPABSX-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001177273487 820501916 /nfs/dbraw/zinc/50/19/16/820501916.db2.gz QPHZLOIHMZLIEN-MNOVXSKESA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)OCC=C ZINC001177277232 820502837 /nfs/dbraw/zinc/50/28/37/820502837.db2.gz PTOPVXOENVYTSW-STQMWFEESA-N 1 0 295.383 -0.189 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001177276643 820503170 /nfs/dbraw/zinc/50/31/70/820503170.db2.gz GBUTYFSRCKHISW-LBPRGKRZSA-N 1 0 281.360 -0.035 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H](CCCC)NC(N)=O ZINC001177340830 820504849 /nfs/dbraw/zinc/50/48/49/820504849.db2.gz QFILGQWKCRRXCO-LLVKDONJSA-N 1 0 268.361 -0.057 20 30 CBEDRO CC(C)OCCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001177394036 820510828 /nfs/dbraw/zinc/51/08/28/820510828.db2.gz ZJTJMEBMWUOZPX-UHFFFAOYSA-N 1 0 298.387 -0.073 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nonc1C ZINC001177438861 820518570 /nfs/dbraw/zinc/51/85/70/820518570.db2.gz QXFHPOLYJUBZAF-SNVBAGLBSA-N 1 0 293.327 -0.775 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)COC[C@H]1CCCO1 ZINC001177476943 820522594 /nfs/dbraw/zinc/52/25/94/820522594.db2.gz CUFBLTBPIBPFRM-CQSZACIVSA-N 1 0 298.383 -0.072 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177576467 820527435 /nfs/dbraw/zinc/52/74/35/820527435.db2.gz AUEDPJDOXZUCQA-ZDUSSCGKSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177570413 820527859 /nfs/dbraw/zinc/52/78/59/820527859.db2.gz PJZTUWOLFXDWKK-ZDUSSCGKSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCCCCNC(=O)COC ZINC001177663421 820531462 /nfs/dbraw/zinc/53/14/62/820531462.db2.gz PVDJJPQUIGEPRG-UHFFFAOYSA-N 1 0 283.372 -0.352 20 30 CBEDRO N=c1ncc(C[NH3+])cn1C(=O)C#Cc1ccccn1 ZINC001177806935 820540146 /nfs/dbraw/zinc/54/01/46/820540146.db2.gz FYWDMPLIFWYRDE-UHFFFAOYSA-N 1 0 253.265 -0.092 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(F)F ZINC001177977436 820550810 /nfs/dbraw/zinc/55/08/10/820550810.db2.gz BUBMXIVGPMSJAS-YUMQZZPRSA-N 1 0 274.271 -0.530 20 30 CBEDRO CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178059622 820557292 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C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CSCC#N ZINC001178147569 820567799 /nfs/dbraw/zinc/56/77/99/820567799.db2.gz GMAZGINSFMSBBA-IUCAKERBSA-N 1 0 270.358 -0.693 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)OC)[C@H]1C ZINC001178282065 820571814 /nfs/dbraw/zinc/57/18/14/820571814.db2.gz JKUOBZSPSQMEPF-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)OC)[C@H]1C ZINC001178296296 820574666 /nfs/dbraw/zinc/57/46/66/820574666.db2.gz FETTYEXUHAIJCZ-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001178332416 820575702 /nfs/dbraw/zinc/57/57/02/820575702.db2.gz SOQIOGWEIVHNJG-VWYCJHECSA-N 1 0 269.345 -0.358 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC=C)[C@H]1C ZINC001178332297 820576034 /nfs/dbraw/zinc/57/60/34/820576034.db2.gz NBVBPRGMLXMSGZ-STQMWFEESA-N 1 0 293.367 -0.483 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178332208 820576065 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C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001178675706 820593516 /nfs/dbraw/zinc/59/35/16/820593516.db2.gz YXFHOTBETZVHNP-TUAOUCFPSA-N 1 0 254.330 -0.404 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC001178648544 820593683 /nfs/dbraw/zinc/59/36/83/820593683.db2.gz GAQZHKRNKGKQLX-YUTCNCBUSA-N 1 0 280.368 -0.014 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178678168 820593862 /nfs/dbraw/zinc/59/38/62/820593862.db2.gz APRFFVGFQZVPSL-XQQFMLRXSA-N 1 0 295.383 -0.308 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178681461 820596743 /nfs/dbraw/zinc/59/67/43/820596743.db2.gz GKYBDPOBILEOFF-QWRGUYRKSA-N 1 0 267.329 -0.909 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178679081 820596910 /nfs/dbraw/zinc/59/69/10/820596910.db2.gz YHXTZSDMRAUKRD-AXFHLTTASA-N 1 0 267.329 -0.911 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)[C@H]1C ZINC001178767934 820599835 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COC[C@]1(CO)CCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001251707696 825785908 /nfs/dbraw/zinc/78/59/08/825785908.db2.gz CVQURZPYSSDMGP-CQSZACIVSA-N 1 0 283.372 -0.408 20 30 CBEDRO C[C@H](NC(=O)NCC#CC[NH+](C)C)C(=O)N1CCCC1 ZINC001251707882 825785918 /nfs/dbraw/zinc/78/59/18/825785918.db2.gz IIMZEDZNMVQQOY-LBPRGKRZSA-N 1 0 280.372 -0.139 20 30 CBEDRO N#CCNC(=O)CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001251804009 825787843 /nfs/dbraw/zinc/78/78/43/825787843.db2.gz IOGYKARFHKJNDG-NEPJUHHUSA-N 1 0 266.345 -0.843 20 30 CBEDRO N#CCNC(=O)CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001251804012 825787941 /nfs/dbraw/zinc/78/79/41/825787941.db2.gz IOGYKARFHKJNDG-VXGBXAGGSA-N 1 0 266.345 -0.843 20 30 CBEDRO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC001251804429 825788176 /nfs/dbraw/zinc/78/81/76/825788176.db2.gz XAWHNUHMENSATL-OKQWNRDOSA-N 1 0 292.339 -0.419 20 30 CBEDRO N#CCNC(=O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001251804010 825788602 /nfs/dbraw/zinc/78/86/02/825788602.db2.gz IOGYKARFHKJNDG-NWDGAFQWSA-N 1 0 266.345 -0.843 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCCN1CCCC1=O ZINC001251819146 825789283 /nfs/dbraw/zinc/78/92/83/825789283.db2.gz IVQDBTZJXOEVOS-GFCCVEGCSA-N 1 0 254.330 -0.401 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC001251821731 825789395 /nfs/dbraw/zinc/78/93/95/825789395.db2.gz WLAMRAUOAGBHSF-LLVKDONJSA-N 1 0 255.318 -0.870 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC001251821293 825789500 /nfs/dbraw/zinc/78/95/00/825789500.db2.gz LIXDREGTOCYADC-CYBMUJFWSA-N 1 0 256.346 -0.739 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC001251821772 825789851 /nfs/dbraw/zinc/78/98/51/825789851.db2.gz XPHXUUSNNIWYGV-LBPRGKRZSA-N 1 0 298.364 -0.566 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001251836088 825791795 /nfs/dbraw/zinc/79/17/95/825791795.db2.gz UTXVIPYJRAXRIP-XQQFMLRXSA-N 1 0 254.330 -0.988 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001251832022 825792722 /nfs/dbraw/zinc/79/27/22/825792722.db2.gz AQHGJOIHPBQFPX-QWRGUYRKSA-N 1 0 263.284 -0.053 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCN(CCOC)CC1 ZINC001251836291 825793433 /nfs/dbraw/zinc/79/34/33/825793433.db2.gz XJPHZTHQCFASSV-ZDUSSCGKSA-N 1 0 256.346 -0.739 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001251847421 825793518 /nfs/dbraw/zinc/79/35/18/825793518.db2.gz FNELJLRFVXYISP-OLZOCXBDSA-N 1 0 268.357 -0.203 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001251842765 825793648 /nfs/dbraw/zinc/79/36/48/825793648.db2.gz DUJSOBXJULRNAE-DZGCQCFKSA-N 1 0 293.367 -0.028 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001251842766 825794172 /nfs/dbraw/zinc/79/41/72/825794172.db2.gz DUJSOBXJULRNAE-HIFRSBDPSA-N 1 0 293.367 -0.028 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC(C)(C(N)=O)CC1 ZINC001251848302 825795063 /nfs/dbraw/zinc/79/50/63/825795063.db2.gz YOPXLSPGGWNSTQ-LLVKDONJSA-N 1 0 254.330 -0.416 20 30 CBEDRO C#CCOC[C@@H](O)CN1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001251851593 825795406 /nfs/dbraw/zinc/79/54/06/825795406.db2.gz ONXWWHIYOIVDTO-CRWXNKLISA-N 1 0 297.351 -0.351 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(CCCNC2=O)CC1 ZINC001251851502 825795748 /nfs/dbraw/zinc/79/57/48/825795748.db2.gz MEQLBEXUCCPDME-ZDUSSCGKSA-N 1 0 280.368 -0.011 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CCS[C@H](C(=O)OCC)C1 ZINC001251857499 825796878 /nfs/dbraw/zinc/79/68/78/825796878.db2.gz DTAUOKRWTKLYPD-RYUDHWBXSA-N 1 0 287.381 -0.022 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CC2(C1)CCOC[C@@H]2C(=O)OC ZINC001251855167 825797089 /nfs/dbraw/zinc/79/70/89/825797089.db2.gz SCZLXSRYSJGKPY-QWHCGFSZSA-N 1 0 297.351 -0.491 20 30 CBEDRO C#CCOC[C@H](O)CN1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001251851922 825797449 /nfs/dbraw/zinc/79/74/49/825797449.db2.gz WDZZSQFCPBZMBA-GXTWGEPZSA-N 1 0 268.357 -0.598 20 30 CBEDRO C#CCOC[C@H](O)CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001251857880 825798599 /nfs/dbraw/zinc/79/85/99/825798599.db2.gz MKUXXIFGBCEDIX-CABCVRRESA-N 1 0 282.384 -0.206 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001251857978 825799035 /nfs/dbraw/zinc/79/90/35/825799035.db2.gz OMYVYPGAKGTWNF-QWHCGFSZSA-N 1 0 277.324 -0.060 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001251858201 825799105 /nfs/dbraw/zinc/79/91/05/825799105.db2.gz SUWQSOCHSSAOFN-KGLIPLIRSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001251860809 825799150 /nfs/dbraw/zinc/79/91/50/825799150.db2.gz UUDRVGQWLSCANG-DGCLKSJQSA-N 1 0 255.314 -0.118 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CCN(C(C)=O)CC1 ZINC001251880511 825799854 /nfs/dbraw/zinc/79/98/54/825799854.db2.gz AYGNYHXDKSYLHO-ZDUSSCGKSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001251881151 825799901 /nfs/dbraw/zinc/79/99/01/825799901.db2.gz OPGPWFJPJQKBPT-STQMWFEESA-N 1 0 279.340 -0.366 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H](C)C(=O)N(CC)CC ZINC001251885288 825800782 /nfs/dbraw/zinc/80/07/82/825800782.db2.gz RWYGSEFNUCARBN-NEPJUHHUSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001251885206 825801206 /nfs/dbraw/zinc/80/12/06/825801206.db2.gz QCBLZGZAOJGFJB-GFCCVEGCSA-N 1 0 254.330 -0.401 20 30 CBEDRO C#CCOC[C@@H](O)CNC(=[NH2+])c1ccc(F)cn1 ZINC001251888261 825801780 /nfs/dbraw/zinc/80/17/80/825801780.db2.gz QORKZKWWBKRNDV-JTQLQIEISA-N 1 0 251.261 -0.063 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC001251888272 825801871 /nfs/dbraw/zinc/80/18/71/825801871.db2.gz QTNMZQKFSLIIDH-LBPRGKRZSA-N 1 0 290.385 -0.988 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001251888110 825801966 /nfs/dbraw/zinc/80/19/66/825801966.db2.gz ODDRMYNWSKEFSA-CYBMUJFWSA-N 1 0 289.397 -0.198 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001251888483 825802002 /nfs/dbraw/zinc/80/20/02/825802002.db2.gz USBXCELFSAAYKM-LBPRGKRZSA-N 1 0 275.370 -0.589 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001251887493 825802311 /nfs/dbraw/zinc/80/23/11/825802311.db2.gz DQSUSPGFBPXDEA-CYBMUJFWSA-N 1 0 287.323 -0.033 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC001251888271 825802526 /nfs/dbraw/zinc/80/25/26/825802526.db2.gz QTNMZQKFSLIIDH-GFCCVEGCSA-N 1 0 290.385 -0.988 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@@H](O)COCC#C)C1=O ZINC001251896179 825803137 /nfs/dbraw/zinc/80/31/37/825803137.db2.gz CIMPGOCSYAHEFL-ZIAGYGMSSA-N 1 0 278.352 -0.399 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1N1CCOCC1 ZINC001251896232 825803513 /nfs/dbraw/zinc/80/35/13/825803513.db2.gz DRHNCLIGCSPZPC-ILXRZTDVSA-N 1 0 282.384 -0.160 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC001251891651 825804113 /nfs/dbraw/zinc/80/41/13/825804113.db2.gz WVXVHNAEZIARBX-DGCLKSJQSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccnn1CCF ZINC001251900152 825805353 /nfs/dbraw/zinc/80/53/53/825805353.db2.gz KJPORGIHLZXGBW-LBPRGKRZSA-N 1 0 255.293 -0.047 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001251904077 825807859 /nfs/dbraw/zinc/80/78/59/825807859.db2.gz USSDUAZRRHOBHQ-TUAOUCFPSA-N 1 0 271.313 -0.835 20 30 CBEDRO C=CCOC[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC001252453410 825865740 /nfs/dbraw/zinc/86/57/40/825865740.db2.gz IQVYGVWIUYJHPG-ZDUSSCGKSA-N 1 0 258.362 -0.186 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)OC)C1 ZINC001252460515 825867425 /nfs/dbraw/zinc/86/74/25/825867425.db2.gz FWUBAXFKAVIGCJ-SCRDCRAPSA-N 1 0 285.340 -0.329 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCN(CCCO)CC1 ZINC001252460240 825867760 /nfs/dbraw/zinc/86/77/60/825867760.db2.gz CEKCZPQYEGTSKO-ZDUSSCGKSA-N 1 0 258.362 -0.450 20 30 CBEDRO C=CCOC[C@H](O)C[NH+]1CCN(CCCO)CC1 ZINC001252460237 825867992 /nfs/dbraw/zinc/86/79/92/825867992.db2.gz CEKCZPQYEGTSKO-CYBMUJFWSA-N 1 0 258.362 -0.450 20 30 CBEDRO C=CCOC[C@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001252473432 825869395 /nfs/dbraw/zinc/86/93/95/825869395.db2.gz KWJJCVNAHRFJEN-LLVKDONJSA-N 1 0 269.345 -0.303 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001252470602 825870129 /nfs/dbraw/zinc/87/01/29/825870129.db2.gz MTLFMLJBMOPDBI-JTQLQIEISA-N 1 0 283.328 -0.776 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@H]1COCCC12OCCO2 ZINC001252486602 825870521 /nfs/dbraw/zinc/87/05/21/825870521.db2.gz FNJXKIRKXILLAV-RYUDHWBXSA-N 1 0 273.329 -0.329 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCNC(=O)N1CCOCC1 ZINC001252485144 825871292 /nfs/dbraw/zinc/87/12/92/825871292.db2.gz BCCSLUOFIKJCRH-LBPRGKRZSA-N 1 0 287.360 -0.819 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H](O)[C@H]2OC(C)(C)O[C@@H]12 ZINC001252486940 825871601 /nfs/dbraw/zinc/87/16/01/825871601.db2.gz KAYWVWBOJRXAAL-FPYNETTCSA-N 1 0 287.356 -0.207 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CN(c2ncccn2)C1 ZINC001252491110 825872170 /nfs/dbraw/zinc/87/21/70/825872170.db2.gz FTUFTLZFNVLAGN-LBPRGKRZSA-N 1 0 264.329 -0.182 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCN1CCOC[C@H]1C ZINC001252490129 825872451 /nfs/dbraw/zinc/87/24/51/825872451.db2.gz DQBAWNMBDSGXQB-CHWSQXEVSA-N 1 0 258.362 -0.140 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@H](O)COCC=C ZINC001252492652 825873156 /nfs/dbraw/zinc/87/31/56/825873156.db2.gz ZMOUXBIPFQNLLE-ZDUSSCGKSA-N 1 0 257.330 -0.194 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001252487271 825873197 /nfs/dbraw/zinc/87/31/97/825873197.db2.gz QDVKYLQIQNEPGV-KGLIPLIRSA-N 1 0 294.351 -0.058 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]Cc1cncc(C(N)=O)c1 ZINC001252496707 825873620 /nfs/dbraw/zinc/87/36/20/825873620.db2.gz CXZNQXCRAWSDLB-LBPRGKRZSA-N 1 0 265.313 -0.166 20 30 CBEDRO C=C[C@@](C)(O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001252548157 825874444 /nfs/dbraw/zinc/87/44/44/825874444.db2.gz AWRKHMGDUNDBIX-CABCVRRESA-N 1 0 298.383 -0.127 20 30 CBEDRO CCCCOC[C@H](O)C[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001252534367 825874542 /nfs/dbraw/zinc/87/45/42/825874542.db2.gz QYVCNKQVCVEVJG-AXFHLTTASA-N 1 0 260.334 -0.010 20 30 CBEDRO C=C[C@@](C)(O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001252556758 825875034 /nfs/dbraw/zinc/87/50/34/825875034.db2.gz DRRNOYYRYHORNO-CYBMUJFWSA-N 1 0 255.362 -0.195 20 30 CBEDRO C=C[C@@](C)(O)C[N@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252549938 825875345 /nfs/dbraw/zinc/87/53/45/825875345.db2.gz LBMBHVPOLWXKNC-KYEXWDHISA-N 1 0 298.383 -0.273 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001252577927 825876276 /nfs/dbraw/zinc/87/62/76/825876276.db2.gz OIEVHDDAXMGHAO-WCQYABFASA-N 1 0 271.361 -0.327 20 30 CBEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001252623317 825877633 /nfs/dbraw/zinc/87/76/33/825877633.db2.gz IWAIWABLYXCZGD-LPEHRKFASA-N 1 0 257.334 -0.718 20 30 CBEDRO CC[NH+](CC)C[C@@H](O)CN[C@@H](CS)C(=O)OC ZINC001253206034 825905784 /nfs/dbraw/zinc/90/57/84/825905784.db2.gz JKVOMUHKGCHACN-UWVGGRQHSA-N 1 0 264.391 -0.250 20 30 CBEDRO COC(=O)CC1([NH2+]CC(=O)NCCC#N)CCOCC1 ZINC001253443406 825915065 /nfs/dbraw/zinc/91/50/65/825915065.db2.gz VVWDJPZKOQOZNT-UHFFFAOYSA-N 1 0 283.328 -0.282 20 30 CBEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H]2C(=O)N(CCOC)CCO[C@H]2C1 ZINC001253580511 825917611 /nfs/dbraw/zinc/91/76/11/825917611.db2.gz CIEFRZFLCLEFTD-MCIONIFRSA-N 1 0 298.383 -0.271 20 30 CBEDRO C=C[C@H](O)C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC001253585672 825917829 /nfs/dbraw/zinc/91/78/29/825917829.db2.gz YJTPASCYJCATSJ-NSHDSACASA-N 1 0 276.340 -0.151 20 30 CBEDRO C=C[C@H](O)C[NH+]1CCN(c2ncc(O)cn2)CC1 ZINC001253586709 825918171 /nfs/dbraw/zinc/91/81/71/825918171.db2.gz QKHFPTGPEJMZNX-JTQLQIEISA-N 1 0 250.302 -0.149 20 30 CBEDRO C=C[C@H](O)C[NH+]1CCC2(CC1)C(=O)N(C)CCN2C ZINC001253578052 825918198 /nfs/dbraw/zinc/91/81/98/825918198.db2.gz UQJIINVRKAEYHE-LBPRGKRZSA-N 1 0 267.373 -0.228 20 30 CBEDRO C=C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253578168 825918453 /nfs/dbraw/zinc/91/84/53/825918453.db2.gz WMJCUCFGBZPTOJ-SYQHCUMBSA-N 1 0 296.367 -0.108 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCOCCOCCOCCO ZINC001253601038 825918640 /nfs/dbraw/zinc/91/86/40/825918640.db2.gz KAKUOVKSGROCRA-GFCCVEGCSA-N 1 0 263.334 -0.835 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(O)O ZINC001253606124 825918961 /nfs/dbraw/zinc/91/89/61/825918961.db2.gz ZWFZYYLZNMFMQN-PWSUYJOCSA-N 1 0 253.298 -0.250 20 30 CBEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12 ZINC001253601882 825919074 /nfs/dbraw/zinc/91/90/74/825919074.db2.gz YLCFOPDDVFHYFN-FPYNETTCSA-N 1 0 287.356 -0.207 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001253609541 825919386 /nfs/dbraw/zinc/91/93/86/825919386.db2.gz VGLYXPXUFAMCPZ-NSHDSACASA-N 1 0 252.318 -0.405 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)NC ZINC001253608627 825919742 /nfs/dbraw/zinc/91/97/42/825919742.db2.gz DJXGYKNWSUCDAR-RYUDHWBXSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C[C@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001253600332 825919909 /nfs/dbraw/zinc/91/99/09/825919909.db2.gz CBDGSKGNRFJXTH-JQWIXIFHSA-N 1 0 250.298 -0.075 20 30 CBEDRO CON(C)C(=O)[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001253772498 825931333 /nfs/dbraw/zinc/93/13/33/825931333.db2.gz CVYUZSJGLKRLLB-JTQLQIEISA-N 1 0 270.333 -0.741 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 ZINC001253805867 825932862 /nfs/dbraw/zinc/93/28/62/825932862.db2.gz UWCGNUXFDXJGCG-GFCCVEGCSA-N 1 0 278.356 -0.399 20 30 CBEDRO C[C@@H]1CN(CC(=O)NCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001253838214 825935329 /nfs/dbraw/zinc/93/53/29/825935329.db2.gz BQPQMRVGODFZHY-KGLIPLIRSA-N 1 0 293.415 -0.416 20 30 CBEDRO C#CCOCc1cn(C[C@@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC001254068094 825940071 /nfs/dbraw/zinc/94/00/71/825940071.db2.gz XVAMOHAZCJBKBT-LBPRGKRZSA-N 1 0 262.313 -0.194 20 30 CBEDRO C=CCN1CCC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)C1=O ZINC001254324655 825951650 /nfs/dbraw/zinc/95/16/50/825951650.db2.gz NMJMIHRNMWFZPK-QWRGUYRKSA-N 1 0 272.370 -0.060 20 30 CBEDRO CC[C@@H](CC#N)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001255155284 825976616 /nfs/dbraw/zinc/97/66/16/825976616.db2.gz OPLDGXWCFGIVDW-LBPRGKRZSA-N 1 0 288.417 -0.155 20 30 CBEDRO N#CCCNC(=O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC001256561186 826025717 /nfs/dbraw/zinc/02/57/17/826025717.db2.gz ZXKGGOXTSDLPQS-JTQLQIEISA-N 1 0 288.373 -0.983 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1CC(F)(F)C[C@@H]1CO ZINC001256584354 826026440 /nfs/dbraw/zinc/02/64/40/826026440.db2.gz CEDPVTUSMAGVQU-SNVBAGLBSA-N 1 0 275.299 -0.037 20 30 CBEDRO CNC(=O)[C@H]1CCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001256585882 826026567 /nfs/dbraw/zinc/02/65/67/826026567.db2.gz XEFTXLCLYLQNLX-NSHDSACASA-N 1 0 266.345 -0.671 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC001256585313 826026882 /nfs/dbraw/zinc/02/68/82/826026882.db2.gz QEMNASPNXBXKKB-GFCCVEGCSA-N 1 0 294.355 -0.213 20 30 CBEDRO C[C@@H](C#N)OCC[NH+]1CCC(OCC(N)=O)CC1 ZINC001256684645 826029889 /nfs/dbraw/zinc/02/98/89/826029889.db2.gz BCDWBDSRCRCIIF-JTQLQIEISA-N 1 0 255.318 -0.119 20 30 CBEDRO C[NH+]1CCC(NC(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC001256862690 826034750 /nfs/dbraw/zinc/03/47/50/826034750.db2.gz FYXFJRWIVFZHBH-UHFFFAOYSA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001257345118 826045905 /nfs/dbraw/zinc/04/59/05/826045905.db2.gz ZMQDELQUIKIQLC-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO CCCCC[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257502123 826049209 /nfs/dbraw/zinc/04/92/09/826049209.db2.gz SJVDJIUBPLWRLF-NZEXEKPDSA-N 1 0 277.361 -0.813 20 30 CBEDRO C[C@H]1C[C@H](NC(=O)NCC(=O)NCC#N)CC[N@@H+]1C ZINC001258239483 826058670 /nfs/dbraw/zinc/05/86/70/826058670.db2.gz LICQIVJYGKWDBY-VHSXEESVSA-N 1 0 267.333 -0.592 20 30 CBEDRO N#CCNC(=O)CNC(=O)N[C@H]1CCn2ccnc2C1 ZINC001258267178 826058965 /nfs/dbraw/zinc/05/89/65/826058965.db2.gz SQDJCVBDHAJPJK-VIFPVBQESA-N 1 0 276.300 -0.863 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC001261154095 826490780 /nfs/dbraw/zinc/49/07/80/826490780.db2.gz DJAURJBKOSHGLO-NSHDSACASA-N 1 0 271.361 -0.286 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC001261237662 826498052 /nfs/dbraw/zinc/49/80/52/826498052.db2.gz ZYIOVHMKDKYYAG-NSHDSACASA-N 1 0 250.302 -0.817 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC001261379885 826508667 /nfs/dbraw/zinc/50/86/67/826508667.db2.gz PHZJWIDTTAMMJF-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC001261398745 826510340 /nfs/dbraw/zinc/51/03/40/826510340.db2.gz DOTBZVJUUHKKEX-GFCCVEGCSA-N 1 0 293.367 -0.553 20 30 CBEDRO COC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)OC ZINC001261425339 826511386 /nfs/dbraw/zinc/51/13/86/826511386.db2.gz WBRYNDKAWWJSEI-JOYOIKCWSA-N 1 0 271.317 -0.298 20 30 CBEDRO CN(C)C(=O)NCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001261424772 826511632 /nfs/dbraw/zinc/51/16/32/826511632.db2.gz DNZQJWKHODMYCN-JTQLQIEISA-N 1 0 269.349 -0.263 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C1CCN(C(=O)CCOC)CC1 ZINC001261437265 826512692 /nfs/dbraw/zinc/51/26/92/826512692.db2.gz YNLYPOSYRKJDIS-UHFFFAOYSA-N 1 0 295.383 -0.257 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1COCCO1 ZINC001261436214 826513013 /nfs/dbraw/zinc/51/30/13/826513013.db2.gz UJHFJISNLBODOV-RYUDHWBXSA-N 1 0 257.334 -0.802 20 30 CBEDRO C[N@H+](CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C1CC1 ZINC001261465005 826518719 /nfs/dbraw/zinc/51/87/19/826518719.db2.gz DKTQRYILABHILF-CQSZACIVSA-N 1 0 294.355 -0.926 20 30 CBEDRO C=CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H](C)COC ZINC001261633425 826549517 /nfs/dbraw/zinc/54/95/17/826549517.db2.gz FYIJCUCXNKAWAD-JTQLQIEISA-N 1 0 257.334 -0.629 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CCC([NH2+]C)CC1 ZINC001261635998 826550615 /nfs/dbraw/zinc/55/06/15/826550615.db2.gz VNWXOEBZYODGFU-UHFFFAOYSA-N 1 0 283.372 -0.094 20 30 CBEDRO NC(=O)CN1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001261643918 826554559 /nfs/dbraw/zinc/55/45/59/826554559.db2.gz KJAZFUVPAJUXQQ-CYBMUJFWSA-N 1 0 292.383 -0.945 20 30 CBEDRO C=CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@@H](C)COC ZINC001261645602 826555174 /nfs/dbraw/zinc/55/51/74/826555174.db2.gz IZNUWROCOAXJBS-NWDGAFQWSA-N 1 0 299.371 -0.778 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001261700439 826563519 /nfs/dbraw/zinc/56/35/19/826563519.db2.gz HGNVGJGCUFBGCN-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001261823494 826589677 /nfs/dbraw/zinc/58/96/77/826589677.db2.gz AEWFGIWMOHCMNR-SDDRHHMPSA-N 1 0 279.340 -0.896 20 30 CBEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[NH2+]1 ZINC001261823892 826590386 /nfs/dbraw/zinc/59/03/86/826590386.db2.gz LVZXZFFYTHMQPD-GBIKHYSHSA-N 1 0 282.319 -0.293 20 30 CBEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@](F)(C#N)C2)C[NH2+]1 ZINC001261823894 826590673 /nfs/dbraw/zinc/59/06/73/826590673.db2.gz LVZXZFFYTHMQPD-NRUUGDAUSA-N 1 0 282.319 -0.293 20 30 CBEDRO C=C(CO)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001261828307 826591281 /nfs/dbraw/zinc/59/12/81/826591281.db2.gz FYMLFJKJCJONNQ-UHFFFAOYSA-N 1 0 254.330 -0.142 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CC#N)CC1 ZINC001261837679 826595265 /nfs/dbraw/zinc/59/52/65/826595265.db2.gz KYEAOGQCCDAHOB-JTQLQIEISA-N 1 0 266.345 -0.056 20 30 CBEDRO C=CCN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H](C)COC ZINC001261875524 826601388 /nfs/dbraw/zinc/60/13/88/826601388.db2.gz JJJHVZGPYMGOFS-SRVKXCTJSA-N 1 0 281.356 -0.391 20 30 CBEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC001262034981 826626708 /nfs/dbraw/zinc/62/67/08/826626708.db2.gz UIBCIVOHBIRULH-GWCFXTLKSA-N 1 0 266.345 -0.008 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC001262069067 826630495 /nfs/dbraw/zinc/63/04/95/826630495.db2.gz SZIYTKTWMCCOFC-UHFFFAOYSA-N 1 0 283.372 -0.229 20 30 CBEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001262070316 826631138 /nfs/dbraw/zinc/63/11/38/826631138.db2.gz WLOMUALKTKVUPD-LMLFDSFASA-N 1 0 264.329 -0.257 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC001262077325 826633177 /nfs/dbraw/zinc/63/31/77/826633177.db2.gz AHDKZONTWRZFLB-UHFFFAOYSA-N 1 0 283.372 -0.277 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262075254 826633190 /nfs/dbraw/zinc/63/31/90/826633190.db2.gz NWQMUTYELWAMDB-CHWSQXEVSA-N 1 0 275.352 -0.142 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(CO)(CO)C1 ZINC001262184980 826653856 /nfs/dbraw/zinc/65/38/56/826653856.db2.gz YDAYWPBZAXDBPE-UHFFFAOYSA-N 1 0 256.346 -0.302 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001262185235 826654440 /nfs/dbraw/zinc/65/44/40/826654440.db2.gz HZRKYDLCEBMMPJ-LBPRGKRZSA-N 1 0 286.397 -0.118 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001262205356 826661637 /nfs/dbraw/zinc/66/16/37/826661637.db2.gz QJZKQZAKVFRGJS-WDEREUQCSA-N 1 0 251.330 -0.479 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001262548150 826705074 /nfs/dbraw/zinc/70/50/74/826705074.db2.gz MQQAVLLXQAOORM-VHSXEESVSA-N 1 0 252.318 -0.527 20 30 CBEDRO CO[C@@](C)(CO)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001262575016 826711516 /nfs/dbraw/zinc/71/15/16/826711516.db2.gz GAOBNOBLFWEJAR-VXGBXAGGSA-N 1 0 259.350 -0.820 20 30 CBEDRO 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CCNC(=O)CC(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001267798984 827222397 /nfs/dbraw/zinc/22/23/97/827222397.db2.gz JALCAAFVJXIFCL-LBPRGKRZSA-N 1 0 283.372 -0.353 20 30 CBEDRO CC[C@H](CNC(=O)CSCC#N)[NH2+][C@H](C)C(=O)NC ZINC001267796869 827222448 /nfs/dbraw/zinc/22/24/48/827222448.db2.gz YCXQMYZVESMJIY-NXEZZACHSA-N 1 0 286.401 -0.138 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)[NH2+]CC(=O)N(C)C ZINC001267798593 827222629 /nfs/dbraw/zinc/22/26/29/827222629.db2.gz FQFCCIWDYBYQAZ-BXUZGUMPSA-N 1 0 285.388 -0.114 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](CC)[NH2+]CC(=O)N(C)C ZINC001267798595 827222928 /nfs/dbraw/zinc/22/29/28/827222928.db2.gz FQFCCIWDYBYQAZ-RISCZKNCSA-N 1 0 285.388 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cscn1 ZINC001267798731 827223190 /nfs/dbraw/zinc/22/31/90/827223190.db2.gz UPIKBVPQUORBGE-SNVBAGLBSA-N 1 0 294.380 -0.010 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001267808012 827223642 /nfs/dbraw/zinc/22/36/42/827223642.db2.gz JAXRTLSAQDITGT-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(N)=O ZINC001267802128 827223920 /nfs/dbraw/zinc/22/39/20/827223920.db2.gz RVAQHPINFRKOQO-VIFPVBQESA-N 1 0 263.301 -0.530 20 30 CBEDRO CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CCO ZINC001267800672 827223948 /nfs/dbraw/zinc/22/39/48/827223948.db2.gz UZLODGPUYNMJPZ-SNVBAGLBSA-N 1 0 250.302 -0.023 20 30 CBEDRO CC#CC[NH2+][C@@H](CC)CNC(=O)c1cc(=O)n(C)cn1 ZINC001267807342 827224065 /nfs/dbraw/zinc/22/40/65/827224065.db2.gz UUESGMPEGPPEMI-NSHDSACASA-N 1 0 276.340 -0.098 20 30 CBEDRO CC[C@H](CNC(=O)Cc1cc[nH]n1)[NH2+]CC(=O)NCC#N ZINC001267800972 827224441 /nfs/dbraw/zinc/22/44/41/827224441.db2.gz RAGFESIDRHMJOU-SNVBAGLBSA-N 1 0 292.343 -0.924 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cn(C)nn1 ZINC001267803391 827224829 /nfs/dbraw/zinc/22/48/29/827224829.db2.gz QQKKAZXQGNRNCE-JTQLQIEISA-N 1 0 294.359 -0.785 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)Cn1ncnn1 ZINC001267804939 827224844 /nfs/dbraw/zinc/22/48/44/827224844.db2.gz MUCXIICVHFDDJR-JTQLQIEISA-N 1 0 252.322 -0.266 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267815381 827225438 /nfs/dbraw/zinc/22/54/38/827225438.db2.gz JBAPGWMEIMTNNV-ZJUUUORDSA-N 1 0 252.318 -0.872 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)c1c[nH]c(=O)cn1 ZINC001267817233 827225604 /nfs/dbraw/zinc/22/56/04/827225604.db2.gz KCFFYPJMYADMCV-SNVBAGLBSA-N 1 0 262.313 -0.109 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)CC1CS(=O)(=O)C1 ZINC001267811965 827226153 /nfs/dbraw/zinc/22/61/53/827226153.db2.gz ZNRUXXAPTJCNPK-GFCCVEGCSA-N 1 0 286.397 -0.071 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1ccncn1 ZINC001267823446 827226763 /nfs/dbraw/zinc/22/67/63/827226763.db2.gz IRAVRWUXMCUEFQ-NSHDSACASA-N 1 0 291.355 -0.123 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1ccncn1 ZINC001267823445 827227163 /nfs/dbraw/zinc/22/71/63/827227163.db2.gz IRAVRWUXMCUEFQ-LLVKDONJSA-N 1 0 291.355 -0.123 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cnn(C)n1 ZINC001267822312 827227212 /nfs/dbraw/zinc/22/72/12/827227212.db2.gz MMVWKGUUUMACBK-JTQLQIEISA-N 1 0 294.359 -0.785 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnn(C)n1 ZINC001267822313 827227473 /nfs/dbraw/zinc/22/74/73/827227473.db2.gz MMVWKGUUUMACBK-SNVBAGLBSA-N 1 0 294.359 -0.785 20 30 CBEDRO CC#CC[NH2+][C@@H](CC)CNC(=O)CS(=O)(=O)CC ZINC001267831336 827228603 /nfs/dbraw/zinc/22/86/03/827228603.db2.gz PIQQRXYPODVEKI-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)c1cccnc1C(N)=O ZINC001267830855 827229378 /nfs/dbraw/zinc/22/93/78/827229378.db2.gz HSDDFCOBEGBMGU-JTQLQIEISA-N 1 0 274.324 -0.088 20 30 CBEDRO C=CCn1cc(C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)nn1 ZINC001267860153 827230455 /nfs/dbraw/zinc/23/04/55/827230455.db2.gz LDJXIDPDTSNGKC-CQSZACIVSA-N 1 0 293.371 -0.056 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)COC ZINC001267949973 827232867 /nfs/dbraw/zinc/23/28/67/827232867.db2.gz ZCUNLSMGSWQYNS-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001267953776 827233723 /nfs/dbraw/zinc/23/37/23/827233723.db2.gz SFMHASWCOHWWPH-VXGBXAGGSA-N 1 0 269.345 -0.264 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001267958319 827233821 /nfs/dbraw/zinc/23/38/21/827233821.db2.gz YOIDBARJODRLRR-MNOVXSKESA-N 1 0 292.339 -0.812 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O ZINC001267959355 827233888 /nfs/dbraw/zinc/23/38/88/827233888.db2.gz YIWZSDMXQKEAMG-GFCCVEGCSA-N 1 0 291.351 -0.261 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)CNC(C)=O ZINC001267949479 827234191 /nfs/dbraw/zinc/23/41/91/827234191.db2.gz NSNXWVFUDNGPFJ-CYBMUJFWSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccon1 ZINC001267980808 827236230 /nfs/dbraw/zinc/23/62/30/827236230.db2.gz DLKQXXUGBRTQLZ-WDEREUQCSA-N 1 0 292.339 -0.232 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccon1 ZINC001267980806 827236278 /nfs/dbraw/zinc/23/62/78/827236278.db2.gz DLKQXXUGBRTQLZ-MNOVXSKESA-N 1 0 292.339 -0.232 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)C[NH2+]Cc1nncn1C ZINC001267979964 827236579 /nfs/dbraw/zinc/23/65/79/827236579.db2.gz RNQOCPCAWQWRQN-BXUZGUMPSA-N 1 0 295.387 -0.016 20 30 CBEDRO C[C@@H](CNC(=O)c1ccnn1C)C[NH2+]CC(=O)NCC#N ZINC001267984990 827237438 /nfs/dbraw/zinc/23/74/38/827237438.db2.gz YZKRHAMQEFKMTD-SNVBAGLBSA-N 1 0 292.343 -0.985 20 30 CBEDRO C[C@H](CNC(=O)c1cnns1)C[NH2+]CC(=O)NCC#N ZINC001267985129 827238178 /nfs/dbraw/zinc/23/81/78/827238178.db2.gz ZVCSRLBEOLBIOX-QMMMGPOBSA-N 1 0 296.356 -0.867 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001267993799 827239082 /nfs/dbraw/zinc/23/90/82/827239082.db2.gz ZXCFOWRBBADHEY-CYBMUJFWSA-N 1 0 294.399 -0.874 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001267999480 827239476 /nfs/dbraw/zinc/23/94/76/827239476.db2.gz DOQAGXVMVCFDSX-GHMZBOCLSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001268004743 827239496 /nfs/dbraw/zinc/23/94/96/827239496.db2.gz OEJUTUVFJMCQLX-QWRGUYRKSA-N 1 0 289.401 -0.711 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001268010088 827241181 /nfs/dbraw/zinc/24/11/81/827241181.db2.gz ZKQBKYNIGYFINM-ZJUUUORDSA-N 1 0 294.359 -0.549 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001268014407 827241494 /nfs/dbraw/zinc/24/14/94/827241494.db2.gz RCQTVFFVUOMXSH-NSHDSACASA-N 1 0 293.371 -0.322 20 30 CBEDRO C#CCCN1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029717 827245839 /nfs/dbraw/zinc/24/58/39/827245839.db2.gz YPNABCYDNRJYHQ-AWEZNQCLSA-N 1 0 279.384 -0.078 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C(N)=O)CCCC1 ZINC001268038622 827246398 /nfs/dbraw/zinc/24/63/98/827246398.db2.gz SUTIEBDINFAAOE-SNVBAGLBSA-N 1 0 296.371 -0.819 20 30 CBEDRO CC#CC[NH2+]C1(CNC(=O)CC(N)=O)CCCC1 ZINC001268031903 827246761 /nfs/dbraw/zinc/24/67/61/827246761.db2.gz NPLAHYCGCFXZED-UHFFFAOYSA-N 1 0 251.330 -0.096 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CCC1 ZINC001268048756 827247036 /nfs/dbraw/zinc/24/70/36/827247036.db2.gz UGAZEOCDLVOVDE-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCO1 ZINC001268050755 827247282 /nfs/dbraw/zinc/24/72/82/827247282.db2.gz RVJLTELXFHJDBH-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(C)c1 ZINC001268047749 827247427 /nfs/dbraw/zinc/24/74/27/827247427.db2.gz ATWSPDSWJMXEPD-LLVKDONJSA-N 1 0 293.371 -0.228 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCO1 ZINC001268050751 827247482 /nfs/dbraw/zinc/24/74/82/827247482.db2.gz RVJLTELXFHJDBH-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO CC(C)C#CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268059008 827249808 /nfs/dbraw/zinc/24/98/08/827249808.db2.gz DEJVSALENIIEEP-VXGBXAGGSA-N 1 0 293.367 -0.113 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1=CCOCC1 ZINC001268059033 827250059 /nfs/dbraw/zinc/25/00/59/827250059.db2.gz JXKCAXJOJSWFAW-LLVKDONJSA-N 1 0 294.355 -0.591 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)cn1 ZINC001268059811 827250212 /nfs/dbraw/zinc/25/02/12/827250212.db2.gz CYOWKENPMGFPRO-NSHDSACASA-N 1 0 293.371 -0.228 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CCn1ccnn1 ZINC001268060418 827250516 /nfs/dbraw/zinc/25/05/16/827250516.db2.gz VKBCZKYSWPOZJP-ZDUSSCGKSA-N 1 0 293.371 -0.246 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001268062664 827250550 /nfs/dbraw/zinc/25/05/50/827250550.db2.gz FSGWLFIAMQLYCM-VXGBXAGGSA-N 1 0 283.372 -0.451 20 30 CBEDRO C[C@@H](C[NH2+]CCO)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001268062323 827251274 /nfs/dbraw/zinc/25/12/74/827251274.db2.gz ZWONWVPFDOHZQJ-VIFPVBQESA-N 1 0 250.302 -0.071 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001268065973 827252094 /nfs/dbraw/zinc/25/20/94/827252094.db2.gz JYXJDXUAAXADMD-OLZOCXBDSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCNC1=O ZINC001268069457 827252205 /nfs/dbraw/zinc/25/22/05/827252205.db2.gz UFTRPXKBOXMOHZ-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001268078238 827253258 /nfs/dbraw/zinc/25/32/58/827253258.db2.gz CFXIGTMLAAHNEQ-SECBINFHSA-N 1 0 250.306 -0.717 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)C1(C(=O)NC)CC1 ZINC001268090831 827256244 /nfs/dbraw/zinc/25/62/44/827256244.db2.gz YJDNXYVYLJEABC-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001268093197 827256748 /nfs/dbraw/zinc/25/67/48/827256748.db2.gz AFESLVCAZSNOCP-WDEREUQCSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001268101890 827257723 /nfs/dbraw/zinc/25/77/23/827257723.db2.gz MTBKECSPQMFOHJ-JTQLQIEISA-N 1 0 274.324 -0.136 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1[nH]cnc1C ZINC001268101551 827257937 /nfs/dbraw/zinc/25/79/37/827257937.db2.gz JEULFYJOOADZJT-JTQLQIEISA-N 1 0 291.355 -0.482 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001268171654 827260394 /nfs/dbraw/zinc/26/03/94/827260394.db2.gz ARRJYQZSGOOXAE-VXGBXAGGSA-N 1 0 283.372 -0.109 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001268202062 827260471 /nfs/dbraw/zinc/26/04/71/827260471.db2.gz ABVQIBUXJVCHCC-NSHDSACASA-N 1 0 264.333 -0.573 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001268204281 827261182 /nfs/dbraw/zinc/26/11/82/827261182.db2.gz UZOXYLABYCHTCN-VXGBXAGGSA-N 1 0 296.371 -0.464 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001268209102 827261549 /nfs/dbraw/zinc/26/15/49/827261549.db2.gz PXMJAJRSZJYFEE-QWRGUYRKSA-N 1 0 269.345 -0.760 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCO1)C(C)C ZINC001268203066 827261810 /nfs/dbraw/zinc/26/18/10/827261810.db2.gz LYIXKWKAAVNKPO-QWHCGFSZSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CN1CCOCC1=O)C(C)C ZINC001268210782 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C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001268313414 827294107 /nfs/dbraw/zinc/29/41/07/827294107.db2.gz DBHBJTVDGPGBIN-STQMWFEESA-N 1 0 285.388 -0.650 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1ccon1 ZINC001268313318 827294199 /nfs/dbraw/zinc/29/41/99/827294199.db2.gz CBUZYSRTXGJJPF-GFCCVEGCSA-N 1 0 265.313 -0.303 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2C1 ZINC001268314253 827294389 /nfs/dbraw/zinc/29/43/89/827294389.db2.gz YFLUHOMIMRQTTB-UONOGXRCSA-N 1 0 288.347 -0.062 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)CC ZINC001268315437 827295398 /nfs/dbraw/zinc/29/53/98/827295398.db2.gz BMYFTEBNZWVXHJ-NSHDSACASA-N 1 0 285.388 -0.256 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1coc(OC)n1 ZINC001268315553 827295789 /nfs/dbraw/zinc/29/57/89/827295789.db2.gz DSMPJSQKJOBIAR-VIFPVBQESA-N 1 0 269.301 -0.060 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001268315576 827295797 /nfs/dbraw/zinc/29/57/97/827295797.db2.gz 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/nfs/dbraw/zinc/30/09/98/827300998.db2.gz HONVGANTRVRBDX-LBPRGKRZSA-N 1 0 295.339 -0.378 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc2cccnn21 ZINC001268324359 827301291 /nfs/dbraw/zinc/30/12/91/827301291.db2.gz NIDHULOFGQBBFI-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001268327936 827302323 /nfs/dbraw/zinc/30/23/23/827302323.db2.gz UPDYSNBITGHCSZ-NXEZZACHSA-N 1 0 267.333 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001268326417 827302607 /nfs/dbraw/zinc/30/26/07/827302607.db2.gz DTLBIYQJZOUZKL-MRVPVSSYSA-N 1 0 281.337 -0.840 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC)nn1 ZINC001268326298 827303538 /nfs/dbraw/zinc/30/35/38/827303538.db2.gz CIMRVVOBRQLJND-SECBINFHSA-N 1 0 253.306 -0.836 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001268328988 827305207 /nfs/dbraw/zinc/30/52/07/827305207.db2.gz QDXGVTCMNQSZSJ-VIFPVBQESA-N 1 0 253.306 -0.929 20 30 CBEDRO N#CCNC[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268329244 827305224 /nfs/dbraw/zinc/30/52/24/827305224.db2.gz RWZRLZRFUIWLID-CQSZACIVSA-N 1 0 294.399 -0.301 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)COc1ccccc1 ZINC001268330953 827305806 /nfs/dbraw/zinc/30/58/06/827305806.db2.gz QGYRJXSZVLWEKP-GFCCVEGCSA-N 1 0 262.309 -0.235 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001268333893 827305852 /nfs/dbraw/zinc/30/58/52/827305852.db2.gz HSUIUPQHBQYKHB-VXGBXAGGSA-N 1 0 269.345 -0.750 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001268337609 827309838 /nfs/dbraw/zinc/30/98/38/827309838.db2.gz KOHZBOJGFFJUKU-QWRGUYRKSA-N 1 0 284.360 -0.828 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cncnc1 ZINC001268356445 827314835 /nfs/dbraw/zinc/31/48/35/827314835.db2.gz CBBQRCPITBHDJP-SNVBAGLBSA-N 1 0 290.327 -0.786 20 30 CBEDRO COC[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)C#CC1CC1 ZINC001268363502 827315628 /nfs/dbraw/zinc/31/56/28/827315628.db2.gz RYPMXOTYVXYMBR-YPMHNXCESA-N 1 0 268.357 -0.109 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001268370227 827317289 /nfs/dbraw/zinc/31/72/89/827317289.db2.gz GWLGRNHKNMKAEK-LLVKDONJSA-N 1 0 294.355 -0.783 20 30 CBEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CNC(=O)NC ZINC001268370469 827317445 /nfs/dbraw/zinc/31/74/45/827317445.db2.gz JPOLAKCWVJXXDL-SNVBAGLBSA-N 1 0 256.350 -0.024 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268389879 827321226 /nfs/dbraw/zinc/32/12/26/827321226.db2.gz SVXMHEFGBTYMLS-ZJUUUORDSA-N 1 0 252.318 -0.872 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001268391684 827321481 /nfs/dbraw/zinc/32/14/81/827321481.db2.gz NHDYRWQXCUDJLZ-GRYCIOLGSA-N 1 0 265.357 -0.124 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ccnnc1 ZINC001268402109 827323260 /nfs/dbraw/zinc/32/32/60/827323260.db2.gz QVFSXTKXLHLCFV-JTQLQIEISA-N 1 0 290.327 -0.786 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1COCCO1 ZINC001268436258 827329066 /nfs/dbraw/zinc/32/90/66/827329066.db2.gz 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/nfs/dbraw/zinc/78/81/86/827788186.db2.gz LGLSDIXKYNJBKR-CMPLNLGQSA-N 1 0 262.313 -0.192 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001272379715 827788243 /nfs/dbraw/zinc/78/82/43/827788243.db2.gz KRIGVELBYFEPCH-SNVBAGLBSA-N 1 0 252.318 -0.324 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001272380725 827788626 /nfs/dbraw/zinc/78/86/26/827788626.db2.gz NWJXFQANCAEBEO-JTQLQIEISA-N 1 0 250.302 -0.876 20 30 CBEDRO Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001272381812 827789082 /nfs/dbraw/zinc/78/90/82/827789082.db2.gz XAHQEZQCQNNVDB-GZMMTYOYSA-N 1 0 266.301 -0.291 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001272397336 827790731 /nfs/dbraw/zinc/79/07/31/827790731.db2.gz HPVPROBEJMGTTN-LLVKDONJSA-N 1 0 260.297 -0.410 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001272396624 827791222 /nfs/dbraw/zinc/79/12/22/827791222.db2.gz BRVRDLVMPJCUCS-GFCCVEGCSA-N 1 0 252.314 -0.577 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccnn1CC 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-0.975 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272407171 827794530 /nfs/dbraw/zinc/79/45/30/827794530.db2.gz XNAJWFWLOBZVPY-GFCCVEGCSA-N 1 0 279.344 -0.996 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001272414041 827794654 /nfs/dbraw/zinc/79/46/54/827794654.db2.gz LFSHNLROUAOZKU-LLVKDONJSA-N 1 0 256.346 -0.066 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)[nH]1 ZINC001272414141 827794712 /nfs/dbraw/zinc/79/47/12/827794712.db2.gz MCASAAXKHASHNR-JTQLQIEISA-N 1 0 267.333 -0.702 20 30 CBEDRO Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001272414543 827795640 /nfs/dbraw/zinc/79/56/40/827795640.db2.gz QQOMVSDOYMIRRF-AWEZNQCLSA-N 1 0 290.367 -0.557 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(=O)CC ZINC001272425195 827795798 /nfs/dbraw/zinc/79/57/98/827795798.db2.gz IZFGVWQXOVWBNU-GHMZBOCLSA-N 1 0 271.361 -0.456 20 30 CBEDRO CCCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001272415030 827796100 /nfs/dbraw/zinc/79/61/00/827796100.db2.gz VAHRPTNEKODRGU-LBPRGKRZSA-N 1 0 297.399 -0.371 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(=O)CC ZINC001272425198 827796279 /nfs/dbraw/zinc/79/62/79/827796279.db2.gz IZFGVWQXOVWBNU-WDEREUQCSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001272426009 827796410 /nfs/dbraw/zinc/79/64/10/827796410.db2.gz QHZJXSSVJKWINV-OLZOCXBDSA-N 1 0 295.383 -0.665 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001272415523 827796476 /nfs/dbraw/zinc/79/64/76/827796476.db2.gz YORYGMDKIUZAPJ-QWHCGFSZSA-N 1 0 266.341 -0.497 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001272435737 827797461 /nfs/dbraw/zinc/79/74/61/827797461.db2.gz WSOMRMCDZIKSGG-YPMHNXCESA-N 1 0 290.367 -0.166 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001272435375 827797608 /nfs/dbraw/zinc/79/76/08/827797608.db2.gz RVWOOLLHARBFOL-NWDGAFQWSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001272434532 827797706 /nfs/dbraw/zinc/79/77/06/827797706.db2.gz GTIPHLBHGCEIFT-LBPRGKRZSA-N 1 0 264.329 -0.947 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001272435327 827797780 /nfs/dbraw/zinc/79/77/80/827797780.db2.gz RBNXWGXDECSDRW-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2ncccc12 ZINC001272442206 827798255 /nfs/dbraw/zinc/79/82/55/827798255.db2.gz DAIQOJZYLRGWOF-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001272444453 827799152 /nfs/dbraw/zinc/79/91/52/827799152.db2.gz UHLAJVIHSAKDAZ-CHWSQXEVSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001272444457 827799350 /nfs/dbraw/zinc/79/93/50/827799350.db2.gz UHLAJVIHSAKDAZ-STQMWFEESA-N 1 0 297.399 -0.112 20 30 CBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNCC#N ZINC001272455731 827800241 /nfs/dbraw/zinc/80/02/41/827800241.db2.gz VIAPDJQJBMQWNC-MNOVXSKESA-N 1 0 254.334 -0.939 20 30 CBEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNCC#N ZINC001272455733 827801014 /nfs/dbraw/zinc/80/10/14/827801014.db2.gz VIAPDJQJBMQWNC-WDEREUQCSA-N 1 0 254.334 -0.939 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001272460507 827802018 /nfs/dbraw/zinc/80/20/18/827802018.db2.gz BMYFEUNOGVRGPV-JTQLQIEISA-N 1 0 280.328 -0.468 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2ccccn21 ZINC001272460736 827803195 /nfs/dbraw/zinc/80/31/95/827803195.db2.gz HIYRGGDOEUBQPB-NSHDSACASA-N 1 0 272.308 -0.352 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)COC ZINC001272470533 827804931 /nfs/dbraw/zinc/80/49/31/827804931.db2.gz PKQKRZVNVUXRRT-LBPRGKRZSA-N 1 0 286.372 -0.625 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1nc(C)no1 ZINC001272488349 827805996 /nfs/dbraw/zinc/80/59/96/827805996.db2.gz MWXGBBZXVCWDMH-NSHDSACASA-N 1 0 282.344 -0.047 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O)cc1 ZINC001272486911 827806236 /nfs/dbraw/zinc/80/62/36/827806236.db2.gz BEJDAFKRQHJCRL-FZMZJTMJSA-N 1 0 276.336 -0.271 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001272487340 827806292 /nfs/dbraw/zinc/80/62/92/827806292.db2.gz DIGNOGJTKKPVCW-QWHCGFSZSA-N 1 0 294.355 -0.802 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001272486957 827806415 /nfs/dbraw/zinc/80/64/15/827806415.db2.gz BNTIVWHZPHYEHA-STQMWFEESA-N 1 0 296.371 -0.250 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001272497394 827807183 /nfs/dbraw/zinc/80/71/83/827807183.db2.gz XSDQFMFQHHJYKV-ZJUUUORDSA-N 1 0 271.361 -0.471 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001272495260 827807263 /nfs/dbraw/zinc/80/72/63/827807263.db2.gz CFLXLQFKDLLADL-NSHDSACASA-N 1 0 281.360 -0.406 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001272496895 827807700 /nfs/dbraw/zinc/80/77/00/827807700.db2.gz RYPXRPYPTFFBNW-AXFHLTTASA-N 1 0 269.345 -0.989 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001272497393 827808175 /nfs/dbraw/zinc/80/81/75/827808175.db2.gz XSDQFMFQHHJYKV-VHSXEESVSA-N 1 0 271.361 -0.471 20 30 CBEDRO C#CCN1C[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508306 827809383 /nfs/dbraw/zinc/80/93/83/827809383.db2.gz NOHOTXKPMHCXHC-UKRRQHHQSA-N 1 0 278.352 -0.041 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001272513328 827811773 /nfs/dbraw/zinc/81/17/73/827811773.db2.gz OOQBGVHOVANKSH-GWCFXTLKSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001272513812 827811911 /nfs/dbraw/zinc/81/19/11/827811911.db2.gz RJLDMXDRMVNRIS-VXGBXAGGSA-N 1 0 295.383 -0.312 20 30 CBEDRO C#CCN1CC[C@]2(CCC[N@H+]2C[C@@H]2CCC(=O)N2)C1=O ZINC001272525898 827812916 /nfs/dbraw/zinc/81/29/16/827812916.db2.gz YSUIKEWFRHZTCJ-SWLSCSKDSA-N 1 0 275.352 -0.035 20 30 CBEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001272524830 827813770 /nfs/dbraw/zinc/81/37/70/827813770.db2.gz MXVLSDAIHUBUCE-YNEHKIRRSA-N 1 0 275.352 -0.037 20 30 CBEDRO 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C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCNC1=O ZINC001278099832 828247252 /nfs/dbraw/zinc/24/72/52/828247252.db2.gz PXRAZKMAPRDKNQ-VXGBXAGGSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001278104934 828247269 /nfs/dbraw/zinc/24/72/69/828247269.db2.gz BYFBXIGRWJOKQR-CHWSQXEVSA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001278105999 828247417 /nfs/dbraw/zinc/24/74/17/828247417.db2.gz RASLWZFYKBPUMW-CHWSQXEVSA-N 1 0 267.373 -0.439 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001278099552 828247765 /nfs/dbraw/zinc/24/77/65/828247765.db2.gz MKOOOSXNEMLZBO-GMTAPVOTSA-N 1 0 264.329 -0.234 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(Cl)n(C)n1 ZINC001278113161 828248866 /nfs/dbraw/zinc/24/88/66/828248866.db2.gz SMEWYPKUYKVWNL-SECBINFHSA-N 1 0 284.747 -0.223 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccnc2n[nH]nc21 ZINC001278111573 828249230 /nfs/dbraw/zinc/24/92/30/828249230.db2.gz 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CC#CC[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001278196249 828258212 /nfs/dbraw/zinc/25/82/12/828258212.db2.gz XHJVHNUPZBTQMR-GFCCVEGCSA-N 1 0 264.329 -0.718 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001278211657 828259647 /nfs/dbraw/zinc/25/96/47/828259647.db2.gz GFYSQKUPAICTQN-JQWIXIFHSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001278202674 828259720 /nfs/dbraw/zinc/25/97/20/828259720.db2.gz TVVIWADGWPUPAR-GJZGRUSLSA-N 1 0 289.379 -0.011 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001278202959 828259907 /nfs/dbraw/zinc/25/99/07/828259907.db2.gz XCIAIKKPVYVCPR-JTQLQIEISA-N 1 0 289.291 -0.153 20 30 CBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C#CC1CC1 ZINC001278250593 828260047 /nfs/dbraw/zinc/26/00/47/828260047.db2.gz JEZSZWYXCLGMTE-WCQYABFASA-N 1 0 288.351 -0.381 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cocn2)[C@H]1C ZINC001278229905 828260551 /nfs/dbraw/zinc/26/05/51/828260551.db2.gz 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20 30 CBEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)Cc2nc3ncccn3n2)C1 ZINC001278445308 828271886 /nfs/dbraw/zinc/27/18/86/828271886.db2.gz XUIUFXBIZDMOAZ-HNNXBMFYSA-N 1 0 298.350 -0.119 20 30 CBEDRO C#CCC[NH2+][C@H]1CN(C(=O)CNC(=O)NC)CC1(C)C ZINC001278644331 828275385 /nfs/dbraw/zinc/27/53/85/828275385.db2.gz DOXZGGNMVCKWCJ-NSHDSACASA-N 1 0 280.372 -0.235 20 30 CBEDRO C#CCC[NH2+][C@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C ZINC001278661120 828276397 /nfs/dbraw/zinc/27/63/97/828276397.db2.gz DMJPWLHNDANSLB-JTQLQIEISA-N 1 0 276.344 -0.326 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001278732830 828278225 /nfs/dbraw/zinc/27/82/25/828278225.db2.gz YBDCKNSBOYPNKA-CYBMUJFWSA-N 1 0 278.356 -0.295 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001278731940 828278319 /nfs/dbraw/zinc/27/83/19/828278319.db2.gz NJSRTHJVYWQAFE-NSHDSACASA-N 1 0 267.333 -0.737 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001278732831 828278630 /nfs/dbraw/zinc/27/86/30/828278630.db2.gz 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886422448 /nfs/dbraw/zinc/42/24/48/886422448.db2.gz OIVMYBVDBWNUHB-ZSOGYDGISA-N 1 0 287.367 -0.325 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)COC)CCO1 ZINC001330361634 886427296 /nfs/dbraw/zinc/42/72/96/886427296.db2.gz AZKJEGDEQNKGAM-CHWSQXEVSA-N 1 0 284.356 -0.512 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001330362063 886428378 /nfs/dbraw/zinc/42/83/78/886428378.db2.gz CUUIIMGVVOZOQI-DGCLKSJQSA-N 1 0 254.330 -0.138 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001330379608 886432852 /nfs/dbraw/zinc/43/28/52/886432852.db2.gz CKBMFCPVSRIKBH-WCQYABFASA-N 1 0 291.355 -0.343 20 30 CBEDRO CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC(=O)NCC)CCO1 ZINC001330387855 886436488 /nfs/dbraw/zinc/43/64/88/886436488.db2.gz WVGARAZJSBHDTC-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2n[nH]nc2C)CCO1 ZINC001330403621 886442599 /nfs/dbraw/zinc/44/25/99/886442599.db2.gz JUIBDLFFQWHCCP-CMPLNLGQSA-N 1 0 291.355 -0.044 20 30 CBEDRO 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ZINC001330884834 886614138 /nfs/dbraw/zinc/61/41/38/886614138.db2.gz ZYMBKAFLPAQZIC-UHFFFAOYSA-N 1 0 289.339 -0.262 20 30 CBEDRO NC(=O)CN(C(=O)C#CC1CC[NH2+]CC1)C1CCOCC1 ZINC001330969659 886639360 /nfs/dbraw/zinc/63/93/60/886639360.db2.gz JRUJTNZBKVJQIS-UHFFFAOYSA-N 1 0 293.367 -0.518 20 30 CBEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001447358629 913064220 /nfs/dbraw/zinc/06/42/20/913064220.db2.gz CYXPIGSJQSNMFR-CYBMUJFWSA-N 1 0 262.313 -0.009 20 30 CBEDRO C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC(=O)N1 ZINC001331102829 886674639 /nfs/dbraw/zinc/67/46/39/886674639.db2.gz PJRGTROUYMBVAM-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C[C@H](C#N)C(=O)NCCOCC[N@H+](C)[C@H](C)C(N)=O ZINC001331102608 886676096 /nfs/dbraw/zinc/67/60/96/886676096.db2.gz MTYFBLRRWSTFHV-NXEZZACHSA-N 1 0 270.333 -0.916 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001331132026 886685864 /nfs/dbraw/zinc/68/58/64/886685864.db2.gz JUYQPGFIYKOEMF-HNNXBMFYSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CCCCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001331141373 886692972 /nfs/dbraw/zinc/69/29/72/886692972.db2.gz RUXLUHJQWOHMEG-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331149980 886695968 /nfs/dbraw/zinc/69/59/68/886695968.db2.gz PJKMFLHDGDUUKI-SNVBAGLBSA-N 1 0 269.370 -0.581 20 30 CBEDRO C#CCC[N@@H+](C)CCOCCNC(=O)c1cnn(C)n1 ZINC001331159198 886701634 /nfs/dbraw/zinc/70/16/34/886701634.db2.gz RNMLJSTXRGBCDF-UHFFFAOYSA-N 1 0 279.344 -0.483 20 30 CBEDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC001331165070 886703803 /nfs/dbraw/zinc/70/38/03/886703803.db2.gz MALMONJBHTYRAO-UHFFFAOYSA-N 1 0 295.387 -0.840 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331170015 886711916 /nfs/dbraw/zinc/71/19/16/886711916.db2.gz YLFMMTZMHWJVML-SWLSCSKDSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001331206788 886729842 /nfs/dbraw/zinc/72/98/42/886729842.db2.gz FHLVUTWUBQLZCM-AVGNSLFASA-N 1 0 293.367 -0.519 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(CCC#N)CC1 ZINC001331404284 886793727 /nfs/dbraw/zinc/79/37/27/886793727.db2.gz IOMHCBXLXJPOJF-NSHDSACASA-N 1 0 253.350 -0.165 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)c1cnn(C)c1 ZINC001331236240 886745525 /nfs/dbraw/zinc/74/55/25/886745525.db2.gz BBYWOMSKCWECBR-UHFFFAOYSA-N 1 0 264.329 -0.221 20 30 CBEDRO C=CCOCC(=O)N(C)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001331256736 886754374 /nfs/dbraw/zinc/75/43/74/886754374.db2.gz CNWLPVQPCZTQTQ-STQMWFEESA-N 1 0 295.383 -0.096 20 30 CBEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC001331305932 886770421 /nfs/dbraw/zinc/77/04/21/886770421.db2.gz MSMUBLLIUMTORL-QWRGUYRKSA-N 1 0 280.328 -0.923 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001331310270 886771321 /nfs/dbraw/zinc/77/13/21/886771321.db2.gz DOCHBXVLPCAUGC-AGIUHOORSA-N 1 0 291.351 -0.991 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCOC ZINC001331361697 886784616 /nfs/dbraw/zinc/78/46/16/886784616.db2.gz SXOFZKVOGUJLOT-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1=COCCO1 ZINC001331373975 886786564 /nfs/dbraw/zinc/78/65/64/886786564.db2.gz ADNXUFJVVWXGHW-NSHDSACASA-N 1 0 297.355 -0.387 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCO1 ZINC001331378575 886786938 /nfs/dbraw/zinc/78/69/38/886786938.db2.gz XKVPUHMFTKQZDF-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@@H](CN(C)C(=O)[C@@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001331394296 886792930 /nfs/dbraw/zinc/79/29/30/886792930.db2.gz VFIAHTRBDHJFHN-WDEREUQCSA-N 1 0 282.344 -0.901 20 30 CBEDRO C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]CCOCCO ZINC001331409722 886795784 /nfs/dbraw/zinc/79/57/84/886795784.db2.gz LINVNVUYIPPRGE-LLVKDONJSA-N 1 0 294.355 -0.055 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)CCS(C)(=O)=O ZINC001331490081 886822014 /nfs/dbraw/zinc/82/20/14/886822014.db2.gz OIOGMAFALUQHJY-LLVKDONJSA-N 1 0 274.386 -0.119 20 30 CBEDRO 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SIAPAMPDLIVWGD-JTQLQIEISA-N 1 0 274.324 -0.020 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331559349 886843014 /nfs/dbraw/zinc/84/30/14/886843014.db2.gz DUQQWONQVZMKCP-SDDRHHMPSA-N 1 0 281.356 -0.521 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCOC(=O)N2)CC1 ZINC001331573419 886851310 /nfs/dbraw/zinc/85/13/10/886851310.db2.gz USMLERPJHKUGFL-VIFPVBQESA-N 1 0 266.301 -0.411 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001331582761 886854973 /nfs/dbraw/zinc/85/49/73/886854973.db2.gz HPCRKBHKAWBSGV-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCCCNC(=O)C(=O)NCc1cc(N)cc[nH+]1 ZINC001331603276 886860619 /nfs/dbraw/zinc/86/06/19/886860619.db2.gz AZHYNVUZCJAFHM-UHFFFAOYSA-N 1 0 260.297 -0.190 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC001331604194 886863425 /nfs/dbraw/zinc/86/34/25/886863425.db2.gz PGESLNZMIKTWFJ-USZNOCQGSA-N 1 0 279.340 -0.863 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001331614649 886866535 /nfs/dbraw/zinc/86/65/35/886866535.db2.gz KTCBQQHSVLIPQQ-RYUDHWBXSA-N 1 0 293.367 -0.554 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001331617499 886869194 /nfs/dbraw/zinc/86/91/94/886869194.db2.gz VHKMHSUWUFESCR-RYUDHWBXSA-N 1 0 280.372 -0.011 20 30 CBEDRO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001331633476 886875515 /nfs/dbraw/zinc/87/55/15/886875515.db2.gz WMRKFDUHHSGFDZ-NWDGAFQWSA-N 1 0 295.387 -0.986 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cccs1 ZINC001331669494 886896656 /nfs/dbraw/zinc/89/66/56/886896656.db2.gz VOCNHFVOMFZISL-JTQLQIEISA-N 1 0 295.364 -0.822 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnns1 ZINC001331684982 886904809 /nfs/dbraw/zinc/90/48/09/886904809.db2.gz QOAPZGGPMGXFJS-QMMMGPOBSA-N 1 0 254.315 -0.758 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C ZINC001331683098 886904833 /nfs/dbraw/zinc/90/48/33/886904833.db2.gz JSNWDBCYJSJQSU-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO C=CCOCC[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001331703635 886918390 /nfs/dbraw/zinc/91/83/90/886918390.db2.gz CIKKTHQWEWMDFG-ZDUSSCGKSA-N 1 0 268.357 -0.085 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001331705376 886920895 /nfs/dbraw/zinc/92/08/95/886920895.db2.gz HKFSKMIMNSCQDP-VHSXEESVSA-N 1 0 271.317 -0.872 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1cnnn1C ZINC001331706713 886922136 /nfs/dbraw/zinc/92/21/36/886922136.db2.gz LGNMPIDABCSEQD-JTQLQIEISA-N 1 0 267.333 -0.538 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCOCC1 ZINC001331708485 886925733 /nfs/dbraw/zinc/92/57/33/886925733.db2.gz SDOCJEVLOVYNGA-KGLIPLIRSA-N 1 0 298.383 -0.480 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1C ZINC001331712655 886926695 /nfs/dbraw/zinc/92/66/95/886926695.db2.gz QPMWSNCWKGCUIW-LLVKDONJSA-N 1 0 280.328 -0.952 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)CNC(=O)N1CCCC1 ZINC001331711130 886927290 /nfs/dbraw/zinc/92/72/90/886927290.db2.gz FNYRDRJCDRKTRX-LBPRGKRZSA-N 1 0 298.387 -0.565 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1C ZINC001331712657 886927888 /nfs/dbraw/zinc/92/78/88/886927888.db2.gz QPMWSNCWKGCUIW-NSHDSACASA-N 1 0 280.328 -0.952 20 30 CBEDRO Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001331713240 886930473 /nfs/dbraw/zinc/93/04/73/886930473.db2.gz XNWHKAAHKQQBFV-AWEZNQCLSA-N 1 0 290.367 -0.291 20 30 CBEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331732291 886943825 /nfs/dbraw/zinc/94/38/25/886943825.db2.gz WHOYOUAYEBHCOX-WDEREUQCSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001331737450 886945980 /nfs/dbraw/zinc/94/59/80/886945980.db2.gz AHVVSNGDUNTBAV-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001331737564 886946137 /nfs/dbraw/zinc/94/61/37/886946137.db2.gz AOMNFRVKPIKKNR-SECBINFHSA-N 1 0 253.327 -0.153 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cncn1C ZINC001331739634 886948602 /nfs/dbraw/zinc/94/86/02/886948602.db2.gz KRUCJTLYYCRCRL-JTQLQIEISA-N 1 0 252.318 -0.324 20 30 CBEDRO N#Cc1ncn(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC001331753221 886954973 /nfs/dbraw/zinc/95/49/73/886954973.db2.gz CAMSGTMTOYVGGG-NSHDSACASA-N 1 0 264.333 -0.804 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001331756034 886958103 /nfs/dbraw/zinc/95/81/03/886958103.db2.gz HGFFXFWCSDJYAB-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO CC1(C#N)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001331755550 886959007 /nfs/dbraw/zinc/95/90/07/886959007.db2.gz ZJEOSYQYKZKQFM-LLVKDONJSA-N 1 0 294.355 -0.757 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCNC(=O)C(C)(C)C ZINC001331757719 886959477 /nfs/dbraw/zinc/95/94/77/886959477.db2.gz MHOGZZGJTIGBQS-LLVKDONJSA-N 1 0 283.372 -0.761 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001331770034 886967559 /nfs/dbraw/zinc/96/75/59/886967559.db2.gz FJUCVJNTBLGXDN-SWLSCSKDSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001331773376 886970873 /nfs/dbraw/zinc/97/08/73/886970873.db2.gz UWPVTTYYZRXUSP-QWRGUYRKSA-N 1 0 293.323 -0.160 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001331772969 886971492 /nfs/dbraw/zinc/97/14/92/886971492.db2.gz BFQMYEZNEJHGBW-DGCLKSJQSA-N 1 0 290.367 -0.775 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001331773627 886971902 /nfs/dbraw/zinc/97/19/02/886971902.db2.gz VRWZAMICEGQZNQ-WDEREUQCSA-N 1 0 283.372 -0.504 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001331804204 886987547 /nfs/dbraw/zinc/98/75/47/886987547.db2.gz HRMRPSVZGMGKEJ-JSGCOSHPSA-N 1 0 292.383 -0.311 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001331803356 886988479 /nfs/dbraw/zinc/98/84/79/886988479.db2.gz HIDFOQLCBMRDFV-ZDUSSCGKSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nc(C)oc1C ZINC001331804579 886990358 /nfs/dbraw/zinc/99/03/58/886990358.db2.gz JIAZJQCHLGDVOO-LLVKDONJSA-N 1 0 265.313 -0.005 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ncccc1F ZINC001331805511 886990621 /nfs/dbraw/zinc/99/06/21/886990621.db2.gz PSAWPDOTEKRGNX-SNVBAGLBSA-N 1 0 265.288 -0.076 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ncccc1F ZINC001331805510 886991032 /nfs/dbraw/zinc/99/10/32/886991032.db2.gz PSAWPDOTEKRGNX-JTQLQIEISA-N 1 0 265.288 -0.076 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCCOC)cn1 ZINC001331822466 886996464 /nfs/dbraw/zinc/99/64/64/886996464.db2.gz AYEKPNNAROCIMX-CQSZACIVSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cccn1 ZINC001331827503 887000111 /nfs/dbraw/zinc/00/01/11/887000111.db2.gz ZKLIABIJUZRYSZ-VXGBXAGGSA-N 1 0 264.329 -0.466 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cccn1 ZINC001331827502 886999989 /nfs/dbraw/zinc/99/99/89/886999989.db2.gz ZKLIABIJUZRYSZ-RYUDHWBXSA-N 1 0 264.329 -0.466 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001331824956 887000704 /nfs/dbraw/zinc/00/07/04/887000704.db2.gz KQKGAKRMSWDZCM-YPMHNXCESA-N 1 0 290.367 -0.395 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001331825636 887001126 /nfs/dbraw/zinc/00/11/26/887001126.db2.gz PQMIPDFYXJKSLL-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001331837075 887005689 /nfs/dbraw/zinc/00/56/89/887005689.db2.gz VBGNATWHCQIEBS-SNVBAGLBSA-N 1 0 273.296 -0.729 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCCn1cccc1 ZINC001331833680 887006842 /nfs/dbraw/zinc/00/68/42/887006842.db2.gz BYERHUCMJJUVGK-CYBMUJFWSA-N 1 0 263.341 -0.032 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001331843213 887010165 /nfs/dbraw/zinc/01/01/65/887010165.db2.gz UTLPVGUJTCDOFB-TZMCWYRMSA-N 1 0 283.372 -0.763 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001331850751 887012886 /nfs/dbraw/zinc/01/28/86/887012886.db2.gz QTMMLWWAJJVHLZ-SECBINFHSA-N 1 0 266.301 -0.817 20 30 CBEDRO CN1CCN(C)[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001331850272 887013069 /nfs/dbraw/zinc/01/30/69/887013069.db2.gz MONFRPNGVDOSHJ-CHWSQXEVSA-N 1 0 266.389 -0.123 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001331851974 887013626 /nfs/dbraw/zinc/01/36/26/887013626.db2.gz MPWUSNOZYSPDCQ-GHMZBOCLSA-N 1 0 264.333 -0.172 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001331848210 887013642 /nfs/dbraw/zinc/01/36/42/887013642.db2.gz YGKSFGOUQUOMGE-LLVKDONJSA-N 1 0 267.329 -0.510 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001331851976 887013694 /nfs/dbraw/zinc/01/36/94/887013694.db2.gz MPWUSNOZYSPDCQ-WDEREUQCSA-N 1 0 264.333 -0.172 20 30 CBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC001331852657 887014914 /nfs/dbraw/zinc/01/49/14/887014914.db2.gz OTFHCWNESHMTQI-GFCCVEGCSA-N 1 0 283.372 -0.013 20 30 CBEDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCC(=O)NCC#N ZINC001331864305 887017980 /nfs/dbraw/zinc/01/79/80/887017980.db2.gz BKVWCAHNAJRWKO-SNVBAGLBSA-N 1 0 267.333 -0.590 20 30 CBEDRO C=CCN(C(=O)C(=O)N(CC)CC[NH3+])[C@@H](C)COC ZINC001331864637 887019870 /nfs/dbraw/zinc/01/98/70/887019870.db2.gz PJWRSYCFFPDOJW-NSHDSACASA-N 1 0 271.361 -0.157 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1C ZINC001331897755 887035398 /nfs/dbraw/zinc/03/53/98/887035398.db2.gz SAXBAGYEXMMHLK-MNOVXSKESA-N 1 0 289.401 -0.309 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CSCC#N)C1 ZINC001331956091 887060090 /nfs/dbraw/zinc/06/00/90/887060090.db2.gz AFAPURYYAJDFNK-ZJUUUORDSA-N 1 0 284.385 -0.432 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001331956440 887060508 /nfs/dbraw/zinc/06/05/08/887060508.db2.gz DEZIYJKYSZBFCJ-GHMZBOCLSA-N 1 0 267.329 -0.055 20 30 CBEDRO CCOCC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001331961294 887065114 /nfs/dbraw/zinc/06/51/14/887065114.db2.gz XLYKDBLINAFDDV-LYZGCBJASA-N 1 0 297.355 -0.110 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975192 887072812 /nfs/dbraw/zinc/07/28/12/887072812.db2.gz GTDXXTGUICTJFV-RYUDHWBXSA-N 1 0 265.357 -0.029 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332030389 887086828 /nfs/dbraw/zinc/08/68/28/887086828.db2.gz IDMSXOGYFMQGND-QWRGUYRKSA-N 1 0 277.328 -0.353 20 30 CBEDRO CC(=O)N[C@@]12CCC[C@@H]1N(CC(=O)NCC#N)CC2 ZINC001332066799 887100830 /nfs/dbraw/zinc/10/08/30/887100830.db2.gz YUBGMEZZQKUIJN-WCQYABFASA-N 1 0 264.329 -0.241 20 30 CBEDRO CCc1nncn1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC001332142588 887129195 /nfs/dbraw/zinc/12/91/95/887129195.db2.gz XMDLMEUPRSUKGZ-JTQLQIEISA-N 1 0 264.333 -0.022 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332213610 887156362 /nfs/dbraw/zinc/15/63/62/887156362.db2.gz CAXXFPNKCLMCSA-CYDGBPFRSA-N 1 0 295.383 -0.063 20 30 CBEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332213614 887156705 /nfs/dbraw/zinc/15/67/05/887156705.db2.gz CAXXFPNKCLMCSA-ZDEQEGDKSA-N 1 0 295.383 -0.063 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)COCC)C1 ZINC001332234594 887164882 /nfs/dbraw/zinc/16/48/82/887164882.db2.gz DIRFYCGWERJVDV-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#Cc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC001332229386 887165613 /nfs/dbraw/zinc/16/56/13/887165613.db2.gz AOLRWMPPYOSLOC-KBPBESRZSA-N 1 0 283.331 -0.143 20 30 CBEDRO C=CCNC(=O)Cc1noc([C@@]2(C)C[NH2+]CCO2)n1 ZINC001332276902 887181304 /nfs/dbraw/zinc/18/13/04/887181304.db2.gz JQCSKCOEJCUVJU-GFCCVEGCSA-N 1 0 266.301 -0.251 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001332307040 887194469 /nfs/dbraw/zinc/19/44/69/887194469.db2.gz FMALIWKAXMTZRR-NWDGAFQWSA-N 1 0 291.355 -0.057 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001332315996 887198524 /nfs/dbraw/zinc/19/85/24/887198524.db2.gz PLWAQBUGCNHJLT-LLVKDONJSA-N 1 0 281.356 -0.606 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001332332125 887209409 /nfs/dbraw/zinc/20/94/09/887209409.db2.gz MWUKUKVDGYCQOS-AUTRQRHGSA-N 1 0 268.292 -0.696 20 30 CBEDRO C=CC[C@@H](CO)C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001332358322 887222801 /nfs/dbraw/zinc/22/28/01/887222801.db2.gz HGZHBGMDODWXRA-LLVKDONJSA-N 1 0 277.386 -0.300 20 30 CBEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001332360085 887223932 /nfs/dbraw/zinc/22/39/32/887223932.db2.gz QYWGGKLHLHPXQY-QWHCGFSZSA-N 1 0 271.357 -0.093 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1(C)C ZINC001332404950 887264063 /nfs/dbraw/zinc/26/40/63/887264063.db2.gz NJWSQHXXUNVHAK-NWDGAFQWSA-N 1 0 292.383 -0.140 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001332461902 887295170 /nfs/dbraw/zinc/29/51/70/887295170.db2.gz JIULBOKGLGGOMX-UPJWGTAASA-N 1 0 293.367 -0.710 20 30 CBEDRO CCCC(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001332471960 887302750 /nfs/dbraw/zinc/30/27/50/887302750.db2.gz OENAFKZRYKWCNX-GFCCVEGCSA-N 1 0 256.346 -0.155 20 30 CBEDRO CCCC(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001332471961 887303192 /nfs/dbraw/zinc/30/31/92/887303192.db2.gz OENAFKZRYKWCNX-LBPRGKRZSA-N 1 0 256.346 -0.155 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CCC ZINC001332472597 887303912 /nfs/dbraw/zinc/30/39/12/887303912.db2.gz UKAARAILKPWMAE-NWDGAFQWSA-N 1 0 283.372 -0.667 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001332486729 887312666 /nfs/dbraw/zinc/31/26/66/887312666.db2.gz BIQDZHJZAPHXPZ-VXGBXAGGSA-N 1 0 254.330 -0.545 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001332489914 887317387 /nfs/dbraw/zinc/31/73/87/887317387.db2.gz SXIBVTGSNKGWNW-LBPRGKRZSA-N 1 0 265.313 -0.351 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001332488864 887317925 /nfs/dbraw/zinc/31/79/25/887317925.db2.gz FXXQIOQZOOULPS-QMMMGPOBSA-N 1 0 256.331 -0.253 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001332491057 887319774 /nfs/dbraw/zinc/31/97/74/887319774.db2.gz QIVPLBUHGBSHFG-RYUDHWBXSA-N 1 0 296.371 -0.823 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]CCn1cccn1 ZINC001332504337 887325164 /nfs/dbraw/zinc/32/51/64/887325164.db2.gz PNLPCZGQZRZWDF-CQSZACIVSA-N 1 0 292.383 -0.049 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001332504784 887325433 /nfs/dbraw/zinc/32/54/33/887325433.db2.gz SMYNIQBYCJJCRK-CYBMUJFWSA-N 1 0 278.356 -0.605 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001332504618 887326327 /nfs/dbraw/zinc/32/63/27/887326327.db2.gz PHUMJIFZBKZXQD-LLVKDONJSA-N 1 0 250.302 -0.315 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001332503330 887326421 /nfs/dbraw/zinc/32/64/21/887326421.db2.gz FOPPUQGWSFVTLZ-RYUDHWBXSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001332503722 887326611 /nfs/dbraw/zinc/32/66/11/887326611.db2.gz KLFSQKGAGJPJHF-QWHCGFSZSA-N 1 0 297.399 -0.469 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)(C)C ZINC001332503049 887327428 /nfs/dbraw/zinc/32/74/28/887327428.db2.gz DZTYFXUHHNOTKB-LLVKDONJSA-N 1 0 283.372 -0.809 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001332504713 887327486 /nfs/dbraw/zinc/32/74/86/887327486.db2.gz RNIQVHWZZSECFI-GFCCVEGCSA-N 1 0 268.357 -0.276 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)(C)C ZINC001332503053 887327497 /nfs/dbraw/zinc/32/74/97/887327497.db2.gz DZTYFXUHHNOTKB-NSHDSACASA-N 1 0 283.372 -0.809 20 30 CBEDRO COCCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001332506511 887329275 /nfs/dbraw/zinc/32/92/75/887329275.db2.gz WSXVTSDFQIIVNM-LBPRGKRZSA-N 1 0 294.355 -0.055 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001332505445 887330087 /nfs/dbraw/zinc/33/00/87/887330087.db2.gz SERNBQFPEYUEBK-LLVKDONJSA-N 1 0 264.329 -0.534 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001332521314 887336693 /nfs/dbraw/zinc/33/66/93/887336693.db2.gz GKSQMWPBTJQBHM-OLZOCXBDSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001332521851 887337247 /nfs/dbraw/zinc/33/72/47/887337247.db2.gz JNPBZISKVBOCKJ-NSHDSACASA-N 1 0 294.355 -0.126 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001332536087 887342647 /nfs/dbraw/zinc/34/26/47/887342647.db2.gz BPMTUXJILZLERB-LLVKDONJSA-N 1 0 264.329 -0.534 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccsn1 ZINC001332530924 887343112 /nfs/dbraw/zinc/34/31/12/887343112.db2.gz YDGRAZCYUXRTLB-LLVKDONJSA-N 1 0 297.380 -0.185 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(F)c[nH]1 ZINC001332544743 887347551 /nfs/dbraw/zinc/34/75/51/887347551.db2.gz BEHCXORQWANAMC-JTQLQIEISA-N 1 0 253.277 -0.191 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001332548215 887349094 /nfs/dbraw/zinc/34/90/94/887349094.db2.gz ZLPWKIYNTURQPO-DEPYFDJDSA-N 1 0 292.379 -0.158 20 30 CBEDRO C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001332549631 887350423 /nfs/dbraw/zinc/35/04/23/887350423.db2.gz BYXPAYFYNDHXJM-GFCCVEGCSA-N 1 0 295.387 -0.064 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ocnc1CC ZINC001332566874 887359646 /nfs/dbraw/zinc/35/96/46/887359646.db2.gz RNRLWPRLPFNSNR-JTQLQIEISA-N 1 0 265.313 -0.107 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001332578360 887364486 /nfs/dbraw/zinc/36/44/86/887364486.db2.gz NCNJUMIBPRBPTE-NSHDSACASA-N 1 0 296.375 -0.609 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001332580209 887364674 /nfs/dbraw/zinc/36/46/74/887364674.db2.gz YAMRLCXPIVQDSK-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001332607044 887374273 /nfs/dbraw/zinc/37/42/73/887374273.db2.gz RDOWNUGEHFYVHY-GHMZBOCLSA-N 1 0 290.385 -0.842 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001332615506 887377490 /nfs/dbraw/zinc/37/74/90/887377490.db2.gz CVTGOWDUBNBDTQ-STQMWFEESA-N 1 0 268.357 -0.060 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001332617792 887378709 /nfs/dbraw/zinc/37/87/09/887378709.db2.gz HHFSFNAIQYMYIM-LBPRGKRZSA-N 1 0 278.356 -0.192 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)OCC#C ZINC001332634432 887383705 /nfs/dbraw/zinc/38/37/05/887383705.db2.gz ROYOSBGERRDDPO-ZIAGYGMSSA-N 1 0 280.368 -0.201 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccnn1CC ZINC001332635553 887384762 /nfs/dbraw/zinc/38/47/62/887384762.db2.gz ZDALECDEGUMKGV-LBPRGKRZSA-N 1 0 278.356 -0.099 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001332637677 887388340 /nfs/dbraw/zinc/38/83/40/887388340.db2.gz SKZAQMKYDJAAJW-NEPJUHHUSA-N 1 0 256.346 -0.304 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001332663919 887395070 /nfs/dbraw/zinc/39/50/70/887395070.db2.gz HCXRNHJCJYMBCU-LLVKDONJSA-N 1 0 296.327 -0.916 20 30 CBEDRO CN(CC#N)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001332663033 887397277 /nfs/dbraw/zinc/39/72/77/887397277.db2.gz JQDTYRBNBNMKKA-GFCCVEGCSA-N 1 0 282.388 -0.397 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001332702376 887411266 /nfs/dbraw/zinc/41/12/66/887411266.db2.gz HSNFTTNYWGPBEW-RYUDHWBXSA-N 1 0 256.346 -0.447 20 30 CBEDRO C=CCn1cc(CNC(=O)[C@@H](N)CC[NH+](C)C)nn1 ZINC001332722030 887417832 /nfs/dbraw/zinc/41/78/32/887417832.db2.gz CCVCOKOUTSMFRE-NSHDSACASA-N 1 0 266.349 -0.641 20 30 CBEDRO C=CCn1cc(CNC(=O)[C@H](N)CC[NH+](C)C)nn1 ZINC001332722029 887418142 /nfs/dbraw/zinc/41/81/42/887418142.db2.gz CCVCOKOUTSMFRE-LLVKDONJSA-N 1 0 266.349 -0.641 20 30 CBEDRO C#CC[C@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001332854823 887452412 /nfs/dbraw/zinc/45/24/12/887452412.db2.gz QIRVJYGMFGOAHM-VXGBXAGGSA-N 1 0 252.314 -0.793 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001332854818 887453717 /nfs/dbraw/zinc/45/37/17/887453717.db2.gz QIRVJYGMFGOAHM-NWDGAFQWSA-N 1 0 252.314 -0.793 20 30 CBEDRO C#CCC[N@@H+](CCNC(=O)[C@@H]1CCCNC1=O)CCOC ZINC001332913716 887472385 /nfs/dbraw/zinc/47/23/85/887472385.db2.gz KPFNELLUGZQZSK-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO COCCN(CC#N)CCNC(=O)C[NH+]1CCCC1 ZINC001332927786 887479071 /nfs/dbraw/zinc/47/90/71/887479071.db2.gz NGTBLSNZOZULSY-UHFFFAOYSA-N 1 0 268.361 -0.330 20 30 CBEDRO C#CCn1ccc(CN(CCOC)C[C@H](O)CO)n1 ZINC001333018292 887502286 /nfs/dbraw/zinc/50/22/86/887502286.db2.gz UKQCTLQNAOKOKD-ZDUSSCGKSA-N 1 0 267.329 -0.682 20 30 CBEDRO C=CCOCC(=O)N(C)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001333042379 887511544 /nfs/dbraw/zinc/51/15/44/887511544.db2.gz GMAIQDJBQWJVGY-BPCQOVAHSA-N 1 0 295.383 -0.001 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001333056111 887513000 /nfs/dbraw/zinc/51/30/00/887513000.db2.gz DFSUYVGNXFADIY-QIMFLAQGSA-N 1 0 283.372 -0.362 20 30 CBEDRO CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001333116207 887530689 /nfs/dbraw/zinc/53/06/89/887530689.db2.gz OSISHDCUIYIDEE-IFWUJCSASA-N 1 0 293.367 -0.378 20 30 CBEDRO C#CCC[NH2+]C1CC(N(C)C(=O)Cn2cncn2)C1 ZINC001333141025 887539781 /nfs/dbraw/zinc/53/97/81/887539781.db2.gz WYACXFWPOLIEDM-UHFFFAOYSA-N 1 0 261.329 -0.120 20 30 CBEDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC001333161448 887547345 /nfs/dbraw/zinc/54/73/45/887547345.db2.gz OZNYVOAKQBTLIV-UHFFFAOYSA-N 1 0 275.312 -0.236 20 30 CBEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 ZINC001333171589 887550427 /nfs/dbraw/zinc/55/04/27/887550427.db2.gz SKFQGNJFUSYZOX-RYUDHWBXSA-N 1 0 278.356 -0.184 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)Cc1ccon1 ZINC001333202322 887557422 /nfs/dbraw/zinc/55/74/22/887557422.db2.gz JGADZISPEUVORP-UHFFFAOYSA-N 1 0 265.313 -0.085 20 30 CBEDRO CN(CCOCC[NH2+]CC(N)=O)C(=O)c1ccc(C#N)[nH]1 ZINC001333219567 887563601 /nfs/dbraw/zinc/56/36/01/887563601.db2.gz XQLDKHJCXBSLMH-UHFFFAOYSA-N 1 0 293.327 -0.950 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001333243910 887569892 /nfs/dbraw/zinc/56/98/92/887569892.db2.gz BZCKTMQMEHXAMO-CYBMUJFWSA-N 1 0 272.320 -0.187 20 30 CBEDRO C#CCOCC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC001333399152 887621297 /nfs/dbraw/zinc/62/12/97/887621297.db2.gz AVYNSLTYTRVSER-CYBMUJFWSA-N 1 0 271.357 -0.140 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333450484 887645592 /nfs/dbraw/zinc/64/55/92/887645592.db2.gz NDTALPZEZKTTOZ-JTQLQIEISA-N 1 0 267.329 -0.909 20 30 CBEDRO CC#CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333455721 887648071 /nfs/dbraw/zinc/64/80/71/887648071.db2.gz NFXVGFLWQONYIS-JTQLQIEISA-N 1 0 287.310 -0.123 20 30 CBEDRO O=C(NCC#CCO)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001333533872 887679415 /nfs/dbraw/zinc/67/94/15/887679415.db2.gz GTUFDSGXJSILSN-CYBMUJFWSA-N 1 0 281.356 -0.777 20 30 CBEDRO N#Cc1ncn(CC[NH2+]C[C@@H](O)c2ccccn2)n1 ZINC001333671913 887739919 /nfs/dbraw/zinc/73/99/19/887739919.db2.gz QJDYXNGXRIKOOY-LLVKDONJSA-N 1 0 258.285 -0.132 20 30 CBEDRO C=CCNC(=O)Cc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC001333766159 887763893 /nfs/dbraw/zinc/76/38/93/887763893.db2.gz FJHZOERLGIAWQI-UHFFFAOYSA-N 1 0 277.288 -0.869 20 30 CBEDRO C=CC[C@]1(C(=O)NCCN2CCNC2=O)CCC[NH2+]1 ZINC001333770703 887766128 /nfs/dbraw/zinc/76/61/28/887766128.db2.gz 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C=CCOCC(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001355518493 891687022 /nfs/dbraw/zinc/68/70/22/891687022.db2.gz XUGWNHCTIXKMFY-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO C#CCOCCC(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001355596560 891693626 /nfs/dbraw/zinc/69/36/26/891693626.db2.gz GARGEAHMYJJDHU-ZDUSSCGKSA-N 1 0 295.383 -0.447 20 30 CBEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001356089727 891726029 /nfs/dbraw/zinc/72/60/29/891726029.db2.gz DZVXJGBXJOJAIU-GIPNMCIBSA-N 1 0 280.328 -0.924 20 30 CBEDRO CCN(C(=O)C(=O)N1CCO[C@](C)(C#N)C1)[C@@H]1CC[NH2+]C1 ZINC001356097958 891728117 /nfs/dbraw/zinc/72/81/17/891728117.db2.gz JGYNGLDHWTXOFA-BXUZGUMPSA-N 1 0 294.355 -0.662 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)CC[C@@H]1[NH3+] ZINC001356092803 891729106 /nfs/dbraw/zinc/72/91/06/891729106.db2.gz ZEQCHDBJKRSQRG-SUNKGSAMSA-N 1 0 294.355 -0.677 20 30 CBEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCO1 ZINC001356100724 891729192 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CN(CCC#N)C[C@@H](O)C[NH2+]CCNc1ncccn1 ZINC001356532076 891777606 /nfs/dbraw/zinc/77/76/06/891777606.db2.gz GRORTYXWCHZISF-LBPRGKRZSA-N 1 0 278.360 -0.316 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001356790440 891808284 /nfs/dbraw/zinc/80/82/84/891808284.db2.gz XGFYNJQAMWUGNQ-VIFPVBQESA-N 1 0 252.318 -0.575 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC001357320981 891868664 /nfs/dbraw/zinc/86/86/64/891868664.db2.gz AYCNNEHYAZWXCX-UHFFFAOYSA-N 1 0 292.360 -0.145 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001357599540 891916987 /nfs/dbraw/zinc/91/69/87/891916987.db2.gz CUTORGCRTQQUOS-TZMCWYRMSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C[C@@H](O)CC)nn1 ZINC001358264184 891985388 /nfs/dbraw/zinc/98/53/88/891985388.db2.gz AEKVSZRISDXKCX-LBPRGKRZSA-N 1 0 293.371 -0.266 20 30 CBEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC001358274618 891989735 /nfs/dbraw/zinc/98/97/35/891989735.db2.gz FNYFBLDGRMQOEU-SNVBAGLBSA-N 1 0 287.327 -0.185 20 30 CBEDRO C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1O ZINC001358421530 892005623 /nfs/dbraw/zinc/00/56/23/892005623.db2.gz SBJVCUJUVJOJKP-BCXZHAGTSA-N 1 0 263.341 -0.035 20 30 CBEDRO COC(=O)COCC(=O)N(CCC#N)CCC[NH+](C)C ZINC001362075525 892416922 /nfs/dbraw/zinc/41/69/22/892416922.db2.gz FHJAZTAOXSRIOL-UHFFFAOYSA-N 1 0 285.344 -0.130 20 30 CBEDRO N#C[C@H]1C[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001362679811 892913402 /nfs/dbraw/zinc/91/34/02/892913402.db2.gz LYJJBYZOPYKYHP-CHWSQXEVSA-N 1 0 293.367 -0.168 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001363272307 893516899 /nfs/dbraw/zinc/51/68/99/893516899.db2.gz YLBUUYLHIDQEQB-NSHDSACASA-N 1 0 292.343 -0.887 20 30 CBEDRO N#Cc1ccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)s1 ZINC001363304423 893561656 /nfs/dbraw/zinc/56/16/56/893561656.db2.gz VBFUZLGQJXVPKN-UWVGGRQHSA-N 1 0 278.337 -0.362 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001363844018 894055063 /nfs/dbraw/zinc/05/50/63/894055063.db2.gz IFEYXAJCLKYDLK-VXGBXAGGSA-N 1 0 293.367 -0.074 20 30 CBEDRO CN(CCO)CCNS(=O)(=O)c1cncc(C#N)c1 ZINC001364050834 894162751 /nfs/dbraw/zinc/16/27/51/894162751.db2.gz TZFSQNKRURSEJQ-UHFFFAOYSA-N 1 0 284.341 -0.844 20 30 CBEDRO N#C[C@@]1(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CCCOC1 ZINC001364997057 894714571 /nfs/dbraw/zinc/71/45/71/894714571.db2.gz IYHMYEYICZJAKH-RISCZKNCSA-N 1 0 279.340 -0.104 20 30 CBEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1COC[C@H]1O ZINC001365337346 894911936 /nfs/dbraw/zinc/91/19/36/894911936.db2.gz MLJBHNJOAJUHPM-YNEHKIRRSA-N 1 0 284.356 -0.251 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001451919635 913930504 /nfs/dbraw/zinc/93/05/04/913930504.db2.gz FJJNLLRTHQTDQY-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001365924818 895141422 /nfs/dbraw/zinc/14/14/22/895141422.db2.gz DSRSVVDMNOUBTA-VXGBXAGGSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001365924815 895141845 /nfs/dbraw/zinc/14/18/45/895141845.db2.gz DSRSVVDMNOUBTA-NEPJUHHUSA-N 1 0 278.356 -0.041 20 30 CBEDRO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001365984436 895159597 /nfs/dbraw/zinc/15/95/97/895159597.db2.gz MLBOAUWGFYJKCS-RYUDHWBXSA-N 1 0 292.339 -0.302 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)c1 ZINC001366825859 895468382 /nfs/dbraw/zinc/46/83/82/895468382.db2.gz UZKANTGHFUZXCD-SNVBAGLBSA-N 1 0 289.339 -0.187 20 30 CBEDRO COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001367029299 895535802 /nfs/dbraw/zinc/53/58/02/895535802.db2.gz YZRGFDMHCJOCDE-DGCLKSJQSA-N 1 0 292.339 -0.302 20 30 CBEDRO CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001367087962 895559807 /nfs/dbraw/zinc/55/98/07/895559807.db2.gz KIZMZIUKHGYSLO-WDEREUQCSA-N 1 0 289.339 -0.127 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001367235950 895589033 /nfs/dbraw/zinc/58/90/33/895589033.db2.gz FNGCHSHKEZEADB-SECBINFHSA-N 1 0 277.328 -0.412 20 30 CBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+][C@@H]1CCNC1=O ZINC001367250204 895595857 /nfs/dbraw/zinc/59/58/57/895595857.db2.gz VGIHIGMOYAEYBC-MWLCHTKSSA-N 1 0 289.339 -0.270 20 30 CBEDRO CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)C#N ZINC001367421424 895634917 /nfs/dbraw/zinc/63/49/17/895634917.db2.gz YRALSIZLSMAKDA-NXEZZACHSA-N 1 0 297.359 -0.539 20 30 CBEDRO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001367636971 895718197 /nfs/dbraw/zinc/71/81/97/895718197.db2.gz FNIXKBGSKXFKKD-JOYOIKCWSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1ccon1 ZINC001367724494 895767993 /nfs/dbraw/zinc/76/79/93/895767993.db2.gz BIGWVQNMUJNUDZ-BDAKNGLRSA-N 1 0 279.300 -0.133 20 30 CBEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(C#N)[nH]2)CC1)C(N)=O ZINC001368000882 895885065 /nfs/dbraw/zinc/88/50/65/895885065.db2.gz UTLLTTFYVOSCBI-MRVPVSSYSA-N 1 0 275.312 -0.388 20 30 CBEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(C#N)[nH]2)CC1)C(N)=O ZINC001368000887 895888322 /nfs/dbraw/zinc/88/83/22/895888322.db2.gz UTLLTTFYVOSCBI-QMMMGPOBSA-N 1 0 275.312 -0.388 20 30 CBEDRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001368507836 896022211 /nfs/dbraw/zinc/02/22/11/896022211.db2.gz BDUBUAWWGPGWER-JQWIXIFHSA-N 1 0 292.339 -0.302 20 30 CBEDRO COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001368938301 896116269 /nfs/dbraw/zinc/11/62/69/896116269.db2.gz LZJXOKMMPZZPAV-ZYHUDNBSSA-N 1 0 294.355 -0.056 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001369233427 896173078 /nfs/dbraw/zinc/17/30/78/896173078.db2.gz UBACVKFDIPNQJC-IUCAKERBSA-N 1 0 277.328 -0.190 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001369230269 896175278 /nfs/dbraw/zinc/17/52/78/896175278.db2.gz NFSUBGLYUCPICB-CMPLNLGQSA-N 1 0 294.355 -0.056 20 30 CBEDRO COc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N)ccn1 ZINC001369317896 896208940 /nfs/dbraw/zinc/20/89/40/896208940.db2.gz BFMVRSGSUSHIBB-CMPLNLGQSA-N 1 0 292.339 -0.183 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001369449847 896272042 /nfs/dbraw/zinc/27/20/42/896272042.db2.gz KEZUAYDIALXEFI-RYUDHWBXSA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001369449841 896272571 /nfs/dbraw/zinc/27/25/71/896272571.db2.gz KEZUAYDIALXEFI-NWDGAFQWSA-N 1 0 296.371 -0.823 20 30 CBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001370442403 896429032 /nfs/dbraw/zinc/42/90/32/896429032.db2.gz HFRUHFUZYBKMJG-UTINFBMNSA-N 1 0 295.343 -0.773 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001370727639 896489880 /nfs/dbraw/zinc/48/98/80/896489880.db2.gz SXSYSADICMPQGT-PWSUYJOCSA-N 1 0 296.371 -0.919 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C#N ZINC001371730404 896654125 /nfs/dbraw/zinc/65/41/25/896654125.db2.gz HDOOFWLXFMVWLN-IUCAKERBSA-N 1 0 283.332 -0.914 20 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CBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001374905331 897425934 /nfs/dbraw/zinc/42/59/34/897425934.db2.gz SLYRFPWHJLTFPY-VIFPVBQESA-N 1 0 287.751 -0.571 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001374900349 897426229 /nfs/dbraw/zinc/42/62/29/897426229.db2.gz STEILTKIWBSHJI-ZYHUDNBSSA-N 1 0 278.356 -0.185 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@]1(C)CC[N@H+](CCN2CCNC2=O)C1 ZINC001375819846 897611477 /nfs/dbraw/zinc/61/14/77/897611477.db2.gz KHARBYCYOLHVGL-FZMZJTMJSA-N 1 0 293.371 -0.248 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001376083907 897648713 /nfs/dbraw/zinc/64/87/13/897648713.db2.gz XEONFEVICNLPDF-KBPBESRZSA-N 1 0 294.399 -0.084 20 30 CBEDRO COCCOCC[N@H+](C)CCC(=O)n1ncc(C#N)c1N ZINC001454249818 914184428 /nfs/dbraw/zinc/18/44/28/914184428.db2.gz TXXUORGHFMSDCQ-UHFFFAOYSA-N 1 0 295.343 -0.038 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001376365852 897719330 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CBEDRO C[C@@H](C#N)C(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001388037098 899862955 /nfs/dbraw/zinc/86/29/55/899862955.db2.gz AQYYFPNCNXTJRI-NSHDSACASA-N 1 0 278.356 -0.184 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001390706253 900212713 /nfs/dbraw/zinc/21/27/13/900212713.db2.gz PWMXLJGGACGGQA-IUCAKERBSA-N 1 0 274.752 -0.095 20 30 CBEDRO C[N@H+](CCNC(=O)c1ccc(C#N)[nH]1)CCn1cncn1 ZINC001390750038 900228751 /nfs/dbraw/zinc/22/87/51/900228751.db2.gz XCNPUFOACHVNLP-UHFFFAOYSA-N 1 0 287.327 -0.160 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[N@H+](CCN1CCNC1=O)C1CC1 ZINC001391155865 900326001 /nfs/dbraw/zinc/32/60/01/900326001.db2.gz PGOIHTSBIGMOCY-LLVKDONJSA-N 1 0 293.371 -0.248 20 30 CBEDRO CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CC(=O)NC ZINC001391674667 900428231 /nfs/dbraw/zinc/42/82/31/900428231.db2.gz BXDLJOTUTVZMGL-SNVBAGLBSA-N 1 0 277.328 -0.270 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001391879587 900456279 /nfs/dbraw/zinc/45/62/79/900456279.db2.gz 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C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001393033956 900781769 /nfs/dbraw/zinc/78/17/69/900781769.db2.gz JFCUUSGQMAEGTM-NWDGAFQWSA-N 1 0 278.356 -0.041 20 30 CBEDRO COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001393410330 900851794 /nfs/dbraw/zinc/85/17/94/900851794.db2.gz BYTVPYGQMKNGET-RVMXOQNASA-N 1 0 281.356 -0.456 20 30 CBEDRO COC[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N ZINC001393612155 900883986 /nfs/dbraw/zinc/88/39/86/900883986.db2.gz FARJSDPNLWNMNP-NWDGAFQWSA-N 1 0 271.361 -0.066 20 30 CBEDRO C[C@@H](C#N)C(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001396436272 901317552 /nfs/dbraw/zinc/31/75/52/901317552.db2.gz SMULFIWQULBNGT-TUAOUCFPSA-N 1 0 296.371 -0.824 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001397106622 901362787 /nfs/dbraw/zinc/36/27/87/901362787.db2.gz FTKVKXHTIIDTHG-NHCYSSNCSA-N 1 0 278.356 -0.091 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001398489530 901545144 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C#CC[NH2+]C[C@@H](C)CNC(=O)CCN1CCCC1=O ZINC001482170986 917075796 /nfs/dbraw/zinc/07/57/96/917075796.db2.gz SQOXIFPRQMMTMH-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C(N)=O)C1 ZINC001482200121 917084578 /nfs/dbraw/zinc/08/45/78/917084578.db2.gz VFSDRNNHYUGNPS-WDEREUQCSA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)NC(N)=O)CC2 ZINC001482244045 917096597 /nfs/dbraw/zinc/09/65/97/917096597.db2.gz MMKCKSWIHYNRMF-GFCCVEGCSA-N 1 0 292.383 -0.009 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc[nH]1 ZINC001482256475 917101508 /nfs/dbraw/zinc/10/15/08/917101508.db2.gz ZWCIORRBXBWZMP-NSHDSACASA-N 1 0 276.340 -0.186 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnsn1 ZINC001482263617 917103835 /nfs/dbraw/zinc/10/38/35/917103835.db2.gz XSQBCNGDPOZXEV-SECBINFHSA-N 1 0 297.384 -0.110 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CCOC1 ZINC001482264249 917105118 /nfs/dbraw/zinc/10/51/18/917105118.db2.gz DBPWZNNPZRBKGZ-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO CO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482259556 917105136 /nfs/dbraw/zinc/10/51/36/917105136.db2.gz LJCSZKMKKQCLOX-UWVGGRQHSA-N 1 0 270.333 -0.902 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccnn1C ZINC001482259115 917105260 /nfs/dbraw/zinc/10/52/60/917105260.db2.gz JFDYMRUZUWYCGE-SNVBAGLBSA-N 1 0 292.343 -0.890 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cocn1 ZINC001482266676 917107943 /nfs/dbraw/zinc/10/79/43/917107943.db2.gz YUZQTZPIQVWJMN-WDEREUQCSA-N 1 0 292.339 -0.137 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482269499 917110121 /nfs/dbraw/zinc/11/01/21/917110121.db2.gz PFIMKAWGHGPNAW-CHWSQXEVSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)C1CN(C(C)=O)C1 ZINC001482275546 917110306 /nfs/dbraw/zinc/11/03/06/917110306.db2.gz KUMXWNNIGYTGFR-NSHDSACASA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCCCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001482274890 917110540 /nfs/dbraw/zinc/11/05/40/917110540.db2.gz CYHGIBFPLGHHMT-QWRGUYRKSA-N 1 0 296.371 -0.190 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001482285756 917112466 /nfs/dbraw/zinc/11/24/66/917112466.db2.gz YIFXPKLMFSQANK-VHSXEESVSA-N 1 0 254.334 -0.497 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC(OC)C1 ZINC001482297605 917117874 /nfs/dbraw/zinc/11/78/74/917117874.db2.gz UGIYASKJANHDKO-HIFPTAJRSA-N 1 0 295.383 -0.403 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482289287 917118700 /nfs/dbraw/zinc/11/87/00/917118700.db2.gz JWMORZZUVZHNFK-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001482290402 917118949 /nfs/dbraw/zinc/11/89/49/917118949.db2.gz YUQHYYNEHVQFMK-NSHDSACASA-N 1 0 289.401 -0.662 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001482289216 917118962 /nfs/dbraw/zinc/11/89/62/917118962.db2.gz RDKSTFOPMJHGEB-MNOVXSKESA-N 1 0 291.417 -0.063 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001482302258 917119149 /nfs/dbraw/zinc/11/91/49/917119149.db2.gz DVASDHOBPDSBRQ-QMMMGPOBSA-N 1 0 263.288 -0.010 20 30 CBEDRO C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C(N)=O ZINC001482324875 917126739 /nfs/dbraw/zinc/12/67/39/917126739.db2.gz GBPCTERVOAJBOE-SSDOTTSWSA-N 1 0 278.150 -0.183 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001482352307 917135167 /nfs/dbraw/zinc/13/51/67/917135167.db2.gz OFSFGKHOXKVMLZ-NWDGAFQWSA-N 1 0 280.372 -0.011 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001482361954 917136073 /nfs/dbraw/zinc/13/60/73/917136073.db2.gz SFHFPOPMRDASEQ-NSHDSACASA-N 1 0 294.355 -0.660 20 30 CBEDRO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cnnn1 ZINC001482375636 917140773 /nfs/dbraw/zinc/14/07/73/917140773.db2.gz HIZIRHVWMDHCFW-LLVKDONJSA-N 1 0 264.333 -0.573 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001482411627 917142302 /nfs/dbraw/zinc/14/23/02/917142302.db2.gz FIEZBJVNXBTASL-WCQYABFASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001482382338 917143429 /nfs/dbraw/zinc/14/34/29/917143429.db2.gz HFPLACSEAPUTEZ-WDEREUQCSA-N 1 0 268.361 -0.203 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001482430892 917147731 /nfs/dbraw/zinc/14/77/31/917147731.db2.gz FWGVSTSTRPNQEB-YPMHNXCESA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001482601156 917172081 /nfs/dbraw/zinc/17/20/81/917172081.db2.gz FCKRIJUHBJJXQV-NSHDSACASA-N 1 0 251.330 -0.464 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCNC1=O ZINC001482605007 917177916 /nfs/dbraw/zinc/17/79/16/917177916.db2.gz QCBAIZNUTCAOLG-ZDUSSCGKSA-N 1 0 295.383 -0.447 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001482603670 917178490 /nfs/dbraw/zinc/17/84/90/917178490.db2.gz NQKOSLWHBDGYQX-UHFFFAOYSA-N 1 0 276.340 -0.193 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001482624308 917184608 /nfs/dbraw/zinc/18/46/08/917184608.db2.gz LDRZARMEKRNJQV-UHFFFAOYSA-N 1 0 275.374 -0.922 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482618679 917187426 /nfs/dbraw/zinc/18/74/26/917187426.db2.gz IDAPKEPUZUNCJX-NSHDSACASA-N 1 0 266.345 -0.577 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)Cc1nonc1C ZINC001482639662 917189984 /nfs/dbraw/zinc/18/99/84/917189984.db2.gz QOQWUBDVRHTCSX-UHFFFAOYSA-N 1 0 294.355 -0.039 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482649148 917195559 /nfs/dbraw/zinc/19/55/59/917195559.db2.gz ANFICAVOAIWSLA-LLVKDONJSA-N 1 0 289.401 -0.356 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001482679395 917206913 /nfs/dbraw/zinc/20/69/13/917206913.db2.gz XEEYMGPFMWHPDW-JQWIXIFHSA-N 1 0 284.381 -0.461 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)C)C1=O ZINC001482710132 917209171 /nfs/dbraw/zinc/20/91/71/917209171.db2.gz ZJTKBJLDVAHTEK-VXGBXAGGSA-N 1 0 283.372 -0.504 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001482713734 917216948 /nfs/dbraw/zinc/21/69/48/917216948.db2.gz ABZAEYSSYYVNIP-NSHDSACASA-N 1 0 252.318 -0.405 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1nccnc1N ZINC001482714660 917223298 /nfs/dbraw/zinc/22/32/98/917223298.db2.gz FPNMKSJMEGNPHZ-SNVBAGLBSA-N 1 0 279.344 -0.295 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001482716873 917223583 /nfs/dbraw/zinc/22/35/83/917223583.db2.gz SKCWGVBPDWSHSJ-JQWIXIFHSA-N 1 0 279.344 -0.811 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001482714409 917224454 /nfs/dbraw/zinc/22/44/54/917224454.db2.gz VXIFWWPBYIBZAB-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncc(F)c1 ZINC001482720456 917228286 /nfs/dbraw/zinc/22/82/86/917228286.db2.gz FKXOKJNYHDUCFH-GFCCVEGCSA-N 1 0 265.288 -0.076 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001482725393 917232021 /nfs/dbraw/zinc/23/20/21/917232021.db2.gz IUEXYJLIJOSEFY-GXTWGEPZSA-N 1 0 296.371 -0.686 20 30 CBEDRO Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C#CC2CC2)cn1 ZINC001482728204 917236049 /nfs/dbraw/zinc/23/60/49/917236049.db2.gz IHFSAFMAVFEGRJ-CYBMUJFWSA-N 1 0 276.340 -0.600 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001482736831 917242927 /nfs/dbraw/zinc/24/29/27/917242927.db2.gz ZWLLSVCADDQYMO-ZDUSSCGKSA-N 1 0 278.356 -0.639 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001482734865 917243108 /nfs/dbraw/zinc/24/31/08/917243108.db2.gz UTOGJBFKFUXQMB-LLVKDONJSA-N 1 0 271.361 -0.502 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(C)C ZINC001482735367 917243874 /nfs/dbraw/zinc/24/38/74/917243874.db2.gz WVHFHVVUGZEDSJ-GFCCVEGCSA-N 1 0 297.399 -0.515 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001482744816 917246182 /nfs/dbraw/zinc/24/61/82/917246182.db2.gz CUMCCNHIJIJREJ-QWHCGFSZSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cn[nH]n1 ZINC001482745393 917248070 /nfs/dbraw/zinc/24/80/70/917248070.db2.gz OXRODBQTRDOIFC-VIFPVBQESA-N 1 0 253.306 -0.549 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1nccn1C ZINC001482752896 917250746 /nfs/dbraw/zinc/25/07/46/917250746.db2.gz OBRVQHNQJBIZSC-LLVKDONJSA-N 1 0 264.329 -0.947 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001482759388 917254817 /nfs/dbraw/zinc/25/48/17/917254817.db2.gz VTMUDZWVLPZPAU-GFCCVEGCSA-N 1 0 294.355 -0.941 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001482759075 917254998 /nfs/dbraw/zinc/25/49/98/917254998.db2.gz PNSGXPKTWSGQDZ-ZJUUUORDSA-N 1 0 282.348 -0.755 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001482763200 917258252 /nfs/dbraw/zinc/25/82/52/917258252.db2.gz RASDZSMKRPUPQI-UWVGGRQHSA-N 1 0 279.344 -0.523 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC)CCC1 ZINC001482763795 917259127 /nfs/dbraw/zinc/25/91/27/917259127.db2.gz BJSHYMNBRWTRKC-NWDGAFQWSA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1c(C)cc(C)[nH]c1=O ZINC001482762678 917259851 /nfs/dbraw/zinc/25/98/51/917259851.db2.gz RSRLKJPNKUBSFA-GFCCVEGCSA-N 1 0 291.351 -0.354 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001482768609 917267857 /nfs/dbraw/zinc/26/78/57/917267857.db2.gz VZEGQIPKJWPIHK-NSHDSACASA-N 1 0 293.371 -0.263 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1occc1C ZINC001482767819 917268059 /nfs/dbraw/zinc/26/80/59/917268059.db2.gz VTYRDRPOEGAJHG-NSHDSACASA-N 1 0 250.298 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001482776802 917272481 /nfs/dbraw/zinc/27/24/81/917272481.db2.gz HUFXCJUEPCZSOP-LLVKDONJSA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1(C)CCOCC1 ZINC001482777890 917272645 /nfs/dbraw/zinc/27/26/45/917272645.db2.gz HCVDWSDOESUTGL-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001482779507 917275503 /nfs/dbraw/zinc/27/55/03/917275503.db2.gz KUQJPOZFFREXCE-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CCC=C)nn1 ZINC001482777940 917276905 /nfs/dbraw/zinc/27/69/05/917276905.db2.gz XLSHPLMCWYYNDA-NSHDSACASA-N 1 0 277.328 -0.832 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)nn1C ZINC001482781940 917278972 /nfs/dbraw/zinc/27/89/72/917278972.db2.gz LQRHGESXIMSBIJ-GFCCVEGCSA-N 1 0 278.356 -0.314 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001482782028 917281047 /nfs/dbraw/zinc/28/10/47/917281047.db2.gz YLHAUBXAIOZZHA-LLVKDONJSA-N 1 0 276.340 -0.009 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001482790775 917286083 /nfs/dbraw/zinc/28/60/83/917286083.db2.gz JJRZJFURUODOBM-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1N(C)C ZINC001482790962 917286673 /nfs/dbraw/zinc/28/66/73/917286673.db2.gz MRLYYDRQULKBGN-GFCCVEGCSA-N 1 0 290.367 -0.149 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791343 917288324 /nfs/dbraw/zinc/28/83/24/917288324.db2.gz RVCHWZHBWNTHFR-SNVBAGLBSA-N 1 0 250.302 -0.876 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482799089 917290105 /nfs/dbraw/zinc/29/01/05/917290105.db2.gz MRQCJJATJCRFRH-ZDUSSCGKSA-N 1 0 278.356 -0.557 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc(COC)s1 ZINC001482799481 917290311 /nfs/dbraw/zinc/29/03/11/917290311.db2.gz PDOAFMSLYGQTAS-SNVBAGLBSA-N 1 0 297.380 -0.007 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1 ZINC001482799168 917292266 /nfs/dbraw/zinc/29/22/66/917292266.db2.gz LXQDWLQCARFRLC-NSHDSACASA-N 1 0 252.318 -0.474 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001482802463 917295567 /nfs/dbraw/zinc/29/55/67/917295567.db2.gz SPBXMKBWHREDKL-DZGCQCFKSA-N 1 0 297.399 -0.373 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001482811827 917298264 /nfs/dbraw/zinc/29/82/64/917298264.db2.gz CNSOELPBOXFQAO-NEPJUHHUSA-N 1 0 254.330 -0.091 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)CN1CCCC1=O ZINC001482809683 917299303 /nfs/dbraw/zinc/29/93/03/917299303.db2.gz XHGJWAAVEOBOHT-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001482831359 917307079 /nfs/dbraw/zinc/30/70/79/917307079.db2.gz KZCAXITVULDPAA-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001482857590 917314626 /nfs/dbraw/zinc/31/46/26/917314626.db2.gz XPCVSPRKTCQALN-LLVKDONJSA-N 1 0 279.344 -0.911 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1c[nH]cn1 ZINC001482872198 917317119 /nfs/dbraw/zinc/31/71/19/917317119.db2.gz FLTFVPUFFRVESM-SNVBAGLBSA-N 1 0 292.343 -0.924 20 30 CBEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001482879200 917320261 /nfs/dbraw/zinc/32/02/61/917320261.db2.gz PPCYUYQBZUSLRA-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001482888770 917325264 /nfs/dbraw/zinc/32/52/64/917325264.db2.gz LESBALHPOPKNSJ-NSHDSACASA-N 1 0 294.355 -0.612 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001482899475 917326082 /nfs/dbraw/zinc/32/60/82/917326082.db2.gz PYOJNFJVRNGWRB-NSHDSACASA-N 1 0 286.339 -0.216 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCOC1 ZINC001482912577 917334678 /nfs/dbraw/zinc/33/46/78/917334678.db2.gz KBBNJMNYWJEPNH-NSHDSACASA-N 1 0 282.344 -0.899 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)Cn1ncnn1 ZINC001482924501 917338995 /nfs/dbraw/zinc/33/89/95/917338995.db2.gz HNONGQNLWGBYOT-UHFFFAOYSA-N 1 0 250.306 -0.866 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCCO1 ZINC001482920315 917339441 /nfs/dbraw/zinc/33/94/41/917339441.db2.gz MZNDJQPNNFKDSV-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO COCC#CC[NH2+]CC=CCNC(=O)c1ccn[nH]1 ZINC001482979695 917355879 /nfs/dbraw/zinc/35/58/79/917355879.db2.gz FLTLZFDZFZBGKP-IHWYPQMZSA-N 1 0 262.313 -0.065 20 30 CBEDRO C[C@H]([NH2+]C/C=C/CNC(=O)CSCC#N)C(=O)N(C)C ZINC001482980401 917356752 /nfs/dbraw/zinc/35/67/52/917356752.db2.gz KBRFPCZOJCQCQF-ZWNMCFTASA-N 1 0 298.412 -0.018 20 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JEUWBEZIVXTNJT-QJSMKMSWSA-N 1 0 256.346 -0.044 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001483015488 917372833 /nfs/dbraw/zinc/37/28/33/917372833.db2.gz LQVRJHBKJXHLEV-FYJFLYSWSA-N 1 0 291.351 -0.191 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001483015556 917377539 /nfs/dbraw/zinc/37/75/39/917377539.db2.gz MJJYNGQPFKUMLH-ZFDPJTLLSA-N 1 0 293.367 -0.624 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCN1CC#C ZINC001483019245 917377688 /nfs/dbraw/zinc/37/76/88/917377688.db2.gz HPTKNTCMIDOULF-GJBLVYBDSA-N 1 0 259.353 -0.021 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccc(C(N)=O)o1 ZINC001483032708 917381325 /nfs/dbraw/zinc/38/13/25/917381325.db2.gz GZJPVVWJSPNLDH-ONEGZZNKSA-N 1 0 261.281 -0.113 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CCOC1 ZINC001483051678 917389748 /nfs/dbraw/zinc/38/97/48/917389748.db2.gz WWJFPXHAQXEOEU-NQHOJNORSA-N 1 0 299.346 -0.321 20 30 CBEDRO C#Cc1cncc(C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)c1 ZINC001483057473 917392300 /nfs/dbraw/zinc/39/23/00/917392300.db2.gz PIPIFYJOATWJHE-WYGGZMRJSA-N 1 0 286.335 -0.188 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483061361 917394572 /nfs/dbraw/zinc/39/45/72/917394572.db2.gz VRRZGYAVFCESOX-FQVTYBBZSA-N 1 0 279.340 -0.980 20 30 CBEDRO C=CCn1cc(C(=O)NC/C=C/C[NH2+]CCO)nn1 ZINC001483068530 917396481 /nfs/dbraw/zinc/39/64/81/917396481.db2.gz VAEQALWKSIUUAN-ONEGZZNKSA-N 1 0 265.317 -0.668 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CCn1cnccc1=O ZINC001483077052 917399884 /nfs/dbraw/zinc/39/98/84/917399884.db2.gz POCASSDLUXDVEA-PLNGDYQASA-N 1 0 288.351 -0.081 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)Cc1nonc1C ZINC001483076312 917401842 /nfs/dbraw/zinc/40/18/42/917401842.db2.gz RPDRFBSGRGLNLF-ONEGZZNKSA-N 1 0 292.339 -0.168 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1nccnc1C(N)=O ZINC001483090979 917403667 /nfs/dbraw/zinc/40/36/67/917403667.db2.gz HPPLFCFRFXORDS-ARJAWSKDSA-N 1 0 273.296 -0.916 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CCNC(N)=O ZINC001483091449 917403905 /nfs/dbraw/zinc/40/39/05/917403905.db2.gz QIPNAMKXRSKBKH-PLNGDYQASA-N 1 0 252.318 -0.670 20 30 CBEDRO C=CCCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001483114305 917411541 /nfs/dbraw/zinc/41/15/41/917411541.db2.gz LHAWJVYCJKJRQZ-SECBINFHSA-N 1 0 270.333 -0.498 20 30 CBEDRO C=CCCC(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001483115064 917415468 /nfs/dbraw/zinc/41/54/68/917415468.db2.gz VIYHEFJXFBPHBF-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)COC(C)(C)C ZINC001483120892 917420558 /nfs/dbraw/zinc/42/05/58/917420558.db2.gz HNOBTAXBWQWRLQ-LLVKDONJSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC ZINC001483122466 917423192 /nfs/dbraw/zinc/42/31/92/917423192.db2.gz IPZZLRVLNWJNGX-SKDRFNHKSA-N 1 0 257.334 -0.846 20 30 CBEDRO C[C@H](C[NH2+]CCCO)NC(=O)c1c[nH]c(C#N)c1 ZINC001483121551 917422497 /nfs/dbraw/zinc/42/24/97/917422497.db2.gz YLMUDMTXPXYDDZ-SECBINFHSA-N 1 0 250.302 -0.023 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001483125188 917424623 /nfs/dbraw/zinc/42/46/23/917424623.db2.gz APDUHQAWXABDNK-ZJUUUORDSA-N 1 0 294.359 -0.786 20 30 CBEDRO CC(=O)NCCOCC[NH2+]C[C@@H](C)NC(=O)C#CC(C)C ZINC001483126503 917426717 /nfs/dbraw/zinc/42/67/17/917426717.db2.gz SCPSOIHPAPSLPZ-CYBMUJFWSA-N 1 0 297.399 -0.107 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c2cn[nH]n2)C1=O ZINC001483145124 917433968 /nfs/dbraw/zinc/43/39/68/917433968.db2.gz VXWFILQMKUJSDR-NXEZZACHSA-N 1 0 292.343 -0.701 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1coc(OC)n1 ZINC001483154444 917438385 /nfs/dbraw/zinc/43/83/85/917438385.db2.gz YNNOJQHYUMAFRS-SECBINFHSA-N 1 0 296.327 -0.307 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001483154552 917439023 /nfs/dbraw/zinc/43/90/23/917439023.db2.gz DEVJJWKUKLOZBD-MWLCHTKSSA-N 1 0 291.355 -0.436 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1cc(=O)c(OC)co1 ZINC001483150866 917439889 /nfs/dbraw/zinc/43/98/89/917439889.db2.gz UCIIAZUVHUJBCB-SECBINFHSA-N 1 0 264.281 -0.011 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001483153242 917439958 /nfs/dbraw/zinc/43/99/58/917439958.db2.gz NJLKUCLZXJBWGN-LLVKDONJSA-N 1 0 281.360 -0.358 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001483175470 917446900 /nfs/dbraw/zinc/44/69/00/917446900.db2.gz JTKISVUFWZIPGB-MRVPVSSYSA-N 1 0 287.747 -0.114 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001483166362 917447758 /nfs/dbraw/zinc/44/77/58/917447758.db2.gz GFCXFDXWGKLVLU-OUAUKWLOSA-N 1 0 269.345 -0.310 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccnc1 ZINC001483204295 917461157 /nfs/dbraw/zinc/46/11/57/917461157.db2.gz UCXFCSSEPMBMBK-NSHDSACASA-N 1 0 274.324 -0.461 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)c1cc(C(N)=O)ccn1 ZINC001483201865 917461766 /nfs/dbraw/zinc/46/17/66/917461766.db2.gz BOOWOZCKEKKISN-SNVBAGLBSA-N 1 0 274.324 -0.088 20 30 CBEDRO 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C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001485100014 917994984 /nfs/dbraw/zinc/99/49/84/917994984.db2.gz PDBJKXHDPRLSHD-BPCQOVAHSA-N 1 0 295.383 -0.191 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001485124766 918001736 /nfs/dbraw/zinc/00/17/36/918001736.db2.gz IMUQXNORZQAKOY-NXEZZACHSA-N 1 0 251.330 -0.371 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1nnc[nH]1 ZINC001485133446 918005762 /nfs/dbraw/zinc/00/57/62/918005762.db2.gz IEAVSRYNXBMXEW-NEPJUHHUSA-N 1 0 293.371 -0.130 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ncoc1C ZINC001485130293 918007313 /nfs/dbraw/zinc/00/73/13/918007313.db2.gz YZIPIMQWVATSFU-ZJUUUORDSA-N 1 0 292.339 -0.171 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001485142387 918010385 /nfs/dbraw/zinc/01/03/85/918010385.db2.gz NUMBCKYDMTUFRY-NWDGAFQWSA-N 1 0 295.383 -0.403 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001485159878 918016883 /nfs/dbraw/zinc/01/68/83/918016883.db2.gz 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C=CCCC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001485283923 918055001 /nfs/dbraw/zinc/05/50/01/918055001.db2.gz BXYRQXNEVSCSCK-VHSXEESVSA-N 1 0 284.360 -0.028 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001485299059 918060329 /nfs/dbraw/zinc/06/03/29/918060329.db2.gz HOWKWLWSTJBMLX-NSHDSACASA-N 1 0 289.401 -0.615 20 30 CBEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001485323579 918072296 /nfs/dbraw/zinc/07/22/96/918072296.db2.gz QZSNJCWLUFVZCH-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001485340251 918077789 /nfs/dbraw/zinc/07/77/89/918077789.db2.gz SWLICNOPQRGGAU-VIFPVBQESA-N 1 0 252.322 -0.164 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001485338442 918078175 /nfs/dbraw/zinc/07/81/75/918078175.db2.gz LEJNHGQJVXTKQE-NWDGAFQWSA-N 1 0 296.371 -0.904 20 30 CBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001485337625 918081037 /nfs/dbraw/zinc/08/10/37/918081037.db2.gz ZGALIIUCWADUQI-GHMZBOCLSA-N 1 0 253.346 -0.042 20 30 CBEDRO C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001485338814 918081318 /nfs/dbraw/zinc/08/13/18/918081318.db2.gz QVATZMGATGMMQB-VXGBXAGGSA-N 1 0 298.387 -0.351 20 30 CBEDRO C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485390351 918104666 /nfs/dbraw/zinc/10/46/66/918104666.db2.gz ZDYNLMWLUNVAHH-ZDUSSCGKSA-N 1 0 296.415 -0.488 20 30 CBEDRO C#CCCN1CC(CCO)(NC(=O)CCC[NH+](C)C)C1 ZINC001485416116 918117576 /nfs/dbraw/zinc/11/75/76/918117576.db2.gz WIRQZIGZOAFATL-UHFFFAOYSA-N 1 0 281.400 -0.096 20 30 CBEDRO C#CCN1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001485414880 918117805 /nfs/dbraw/zinc/11/78/05/918117805.db2.gz DOLPLASUALJGDX-UHFFFAOYSA-N 1 0 253.346 -0.876 20 30 CBEDRO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(N)=O ZINC001485481963 918125401 /nfs/dbraw/zinc/12/54/01/918125401.db2.gz ISALDEIJFNJRNJ-LLVKDONJSA-N 1 0 251.330 -0.144 20 30 CBEDRO C=CCOCC[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001485506018 918129853 /nfs/dbraw/zinc/12/98/53/918129853.db2.gz GVLOZGXKOJVCJJ-NSHDSACASA-N 1 0 294.359 -0.688 20 30 CBEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001485506979 918134687 /nfs/dbraw/zinc/13/46/87/918134687.db2.gz NIMGWLMPAOJXFS-SNVBAGLBSA-N 1 0 264.333 -0.314 20 30 CBEDRO CC#CC[NH+]1CC([C@@H](C)NC(=O)CCNC(N)=O)C1 ZINC001485535150 918140441 /nfs/dbraw/zinc/14/04/41/918140441.db2.gz GZDBXPDUNVCNAT-SNVBAGLBSA-N 1 0 266.345 -0.495 20 30 CBEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCOC)[C@@H]2C1 ZINC001485582836 918148418 /nfs/dbraw/zinc/14/84/18/918148418.db2.gz JMAUUKUKKJIKAC-XYYAHUGASA-N 1 0 293.367 -0.934 20 30 CBEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@@H]2C1 ZINC001485586966 918149427 /nfs/dbraw/zinc/14/94/27/918149427.db2.gz PQSGJUDVBBXDDC-JHEVNIALSA-N 1 0 265.357 -0.009 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3ccnn3)[C@@H]2C1 ZINC001485596779 918151390 /nfs/dbraw/zinc/15/13/90/918151390.db2.gz DTYJGQHBDCAFRP-ZSOGYDGISA-N 1 0 287.367 -0.015 20 30 CBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3cn(C)nn3)[C@@H]2C1 ZINC001485628040 918157378 /nfs/dbraw/zinc/15/73/78/918157378.db2.gz JLQJRSPMIYJUDG-ZSOGYDGISA-N 1 0 287.367 -0.325 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001485638205 918160247 /nfs/dbraw/zinc/16/02/47/918160247.db2.gz WXNBOESQVURRBN-DGCLKSJQSA-N 1 0 274.324 -0.071 20 30 CBEDRO CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001485635096 918161096 /nfs/dbraw/zinc/16/10/96/918161096.db2.gz PUGZAMLOPYVUBG-YPMHNXCESA-N 1 0 293.367 -0.649 20 30 CBEDRO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001485637137 918161252 /nfs/dbraw/zinc/16/12/52/918161252.db2.gz PTTGBRUZMMHNQQ-GXFFZTMASA-N 1 0 292.339 -0.302 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)CCO1 ZINC001485640496 918161323 /nfs/dbraw/zinc/16/13/23/918161323.db2.gz WTWOQQLZEYDVEL-CMPLNLGQSA-N 1 0 290.323 -0.366 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001485644070 918163185 /nfs/dbraw/zinc/16/31/85/918163185.db2.gz NFUILKUBNGJMDE-QWRGUYRKSA-N 1 0 279.340 -0.909 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001485644071 918163454 /nfs/dbraw/zinc/16/34/54/918163454.db2.gz NFUILKUBNGJMDE-WDEREUQCSA-N 1 0 279.340 -0.909 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001485648243 918164680 /nfs/dbraw/zinc/16/46/80/918164680.db2.gz XRHSWHPJGOSSTM-WDEREUQCSA-N 1 0 277.328 -0.353 20 30 CBEDRO COC[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001485677402 918168123 /nfs/dbraw/zinc/16/81/23/918168123.db2.gz SSBWCWMCDBYDGL-SRVKXCTJSA-N 1 0 296.371 -0.607 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)nc1 ZINC001485703180 918172062 /nfs/dbraw/zinc/17/20/62/918172062.db2.gz RUMCNSJHTRWVIR-HAQNSBGRSA-N 1 0 286.335 -0.354 20 30 CBEDRO C[C@H](CCC[NH2+]CC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001485719486 918173470 /nfs/dbraw/zinc/17/34/70/918173470.db2.gz YSOCOXYVHYQQRX-SECBINFHSA-N 1 0 277.328 -0.140 20 30 CBEDRO C#CCC[N@@H+](C)CCOCCNC(=O)c1nnn(C)c1C ZINC001485769087 918180540 /nfs/dbraw/zinc/18/05/40/918180540.db2.gz BTVSQNMUHYJEGA-UHFFFAOYSA-N 1 0 293.371 -0.175 20 30 CBEDRO COCC#CC[NH2+]CCC[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001485744609 918182676 /nfs/dbraw/zinc/18/26/76/918182676.db2.gz WPLRRWYPWCXPGV-GFCCVEGCSA-N 1 0 293.371 -0.047 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@@H](C)n1cncn1 ZINC001485773278 918187835 /nfs/dbraw/zinc/18/78/35/918187835.db2.gz LRCBEUXMLLIRPU-GFCCVEGCSA-N 1 0 279.344 -0.463 20 30 CBEDRO CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)NCC#N ZINC001485782102 918189838 /nfs/dbraw/zinc/18/98/38/918189838.db2.gz JUQBJIPPDAZRER-NWDGAFQWSA-N 1 0 293.371 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001485819380 918195126 /nfs/dbraw/zinc/19/51/26/918195126.db2.gz GFAZUJMNWGGRTL-NEPJUHHUSA-N 1 0 263.341 -0.418 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001485824028 918199684 /nfs/dbraw/zinc/19/96/84/918199684.db2.gz FUEUMGDTWSKVFS-NSHDSACASA-N 1 0 263.341 -0.288 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001485824027 918199964 /nfs/dbraw/zinc/19/99/64/918199964.db2.gz FUEUMGDTWSKVFS-LLVKDONJSA-N 1 0 263.341 -0.288 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001485897723 918221422 /nfs/dbraw/zinc/22/14/22/918221422.db2.gz ZQHLGVWYVZXHFG-JTQLQIEISA-N 1 0 278.312 -0.981 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001485962342 918240587 /nfs/dbraw/zinc/24/05/87/918240587.db2.gz KFWZAHHNKFDYLH-QWRGUYRKSA-N 1 0 266.345 -0.401 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)F ZINC001485967508 918250351 /nfs/dbraw/zinc/25/03/51/918250351.db2.gz RQGAIMPTYLMZTH-ZJUUUORDSA-N 1 0 289.351 -0.508 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccoc1 ZINC001485973474 918256124 /nfs/dbraw/zinc/25/61/24/918256124.db2.gz OCBVRIAXPXMGGV-ZYHUDNBSSA-N 1 0 295.339 -0.349 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCCO1 ZINC001485974963 918262965 /nfs/dbraw/zinc/26/29/65/918262965.db2.gz AXIYNGGGJVOZHM-UONOGXRCSA-N 1 0 298.383 -0.338 20 30 CBEDRO C=CCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(CC)C1=O ZINC001485980747 918269475 /nfs/dbraw/zinc/26/94/75/918269475.db2.gz YVCQCMZWALUJCN-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO CC/C=C(\C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485980510 918271118 /nfs/dbraw/zinc/27/11/18/918271118.db2.gz QUTKVDPUQXJQOO-INJWIWPUSA-N 1 0 282.344 -0.951 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)CSC ZINC001485979956 918273530 /nfs/dbraw/zinc/27/35/30/918273530.db2.gz PWNDRANAEWLWSP-VXGBXAGGSA-N 1 0 288.413 -0.298 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001485982148 918276419 /nfs/dbraw/zinc/27/64/19/918276419.db2.gz JOJFRWPSYKJHBD-ZYHUDNBSSA-N 1 0 262.313 -0.192 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CO[C@@H](C)CC ZINC001485986522 918279303 /nfs/dbraw/zinc/27/93/03/918279303.db2.gz DCLMUIHAKFELFW-RYUDHWBXSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1=CCCC1 ZINC001485987002 918280075 /nfs/dbraw/zinc/28/00/75/918280075.db2.gz IHOJTHGYQHOYOR-AAEUAGOBSA-N 1 0 293.367 -0.699 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cncc(F)c1 ZINC001485986329 918281605 /nfs/dbraw/zinc/28/16/05/918281605.db2.gz RNDCDYLFVSYTPT-ZDUSSCGKSA-N 1 0 295.314 -0.449 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCOC1 ZINC001485986960 918282262 /nfs/dbraw/zinc/28/22/62/918282262.db2.gz XRJHBFUKUOLGGT-QWHCGFSZSA-N 1 0 268.357 -0.107 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1nccc(C)n1 ZINC001485990597 918283928 /nfs/dbraw/zinc/28/39/28/918283928.db2.gz IUKXUHSGYYXKOO-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1nccn1CC ZINC001485991851 918284349 /nfs/dbraw/zinc/28/43/49/918284349.db2.gz ZVRFCZUMPFXJAC-JTQLQIEISA-N 1 0 252.318 -0.231 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001486001225 918293198 /nfs/dbraw/zinc/29/31/98/918293198.db2.gz FZHYFSPPOBTEJZ-ZDUSSCGKSA-N 1 0 294.355 -0.941 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(F)cncc1F ZINC001486000376 918293816 /nfs/dbraw/zinc/29/38/16/918293816.db2.gz QSKZOBLWIVKMST-QMMMGPOBSA-N 1 0 269.251 -0.327 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001486000707 918293935 /nfs/dbraw/zinc/29/39/35/918293935.db2.gz WBBMRJGZPOURQP-LLVKDONJSA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001486000935 918295334 /nfs/dbraw/zinc/29/53/34/918295334.db2.gz CUEUJVSENRQBRC-CYBMUJFWSA-N 1 0 280.372 -0.086 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1ccnn1C ZINC001486001269 918295683 /nfs/dbraw/zinc/29/56/83/918295683.db2.gz ZTPXJNOFMZNNLX-GFCCVEGCSA-N 1 0 278.356 -0.557 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001486000936 918296555 /nfs/dbraw/zinc/29/65/55/918296555.db2.gz CUEUJVSENRQBRC-ZDUSSCGKSA-N 1 0 280.372 -0.086 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001486005968 918297604 /nfs/dbraw/zinc/29/76/04/918297604.db2.gz BOQNOWASFKKRLO-LBPRGKRZSA-N 1 0 291.351 -0.603 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1cnn2c1CCCC2 ZINC001486004468 918297870 /nfs/dbraw/zinc/29/78/70/918297870.db2.gz JONIOSHMLGASLL-CYBMUJFWSA-N 1 0 290.367 -0.538 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001486003514 918298933 /nfs/dbraw/zinc/29/89/33/918298933.db2.gz AESPHMMMQVWNJV-LLVKDONJSA-N 1 0 292.339 -0.883 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001486009659 918302893 /nfs/dbraw/zinc/30/28/93/918302893.db2.gz YYIQMXCYCHWQRX-SNVBAGLBSA-N 1 0 278.312 -0.887 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn2cccnc2n1 ZINC001486010765 918304490 /nfs/dbraw/zinc/30/44/90/918304490.db2.gz GAOGACANLHXMFH-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(=O)c(OC)co1 ZINC001486016335 918306836 /nfs/dbraw/zinc/30/68/36/918306836.db2.gz DAYIIPHHXVZKTJ-JTQLQIEISA-N 1 0 294.307 -0.648 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001486014368 918308212 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C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)cc1 ZINC001486024166 918315677 /nfs/dbraw/zinc/31/56/77/918315677.db2.gz ZJUSANPNSVMTQN-RISCZKNCSA-N 1 0 276.336 -0.271 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cocc1C ZINC001486024580 918318718 /nfs/dbraw/zinc/31/87/18/918318718.db2.gz QPTNXJLTFOVLIY-LBPRGKRZSA-N 1 0 280.324 -0.082 20 30 CBEDRO CC[C@@H](F)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001486024792 918319441 /nfs/dbraw/zinc/31/94/41/918319441.db2.gz SZVZXHIJFXBGHK-WDEREUQCSA-N 1 0 260.309 -0.549 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001486032530 918329836 /nfs/dbraw/zinc/32/98/36/918329836.db2.gz RRULTDOQLIVPBY-CHWSQXEVSA-N 1 0 295.383 -0.312 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001486033620 918329971 /nfs/dbraw/zinc/32/99/71/918329971.db2.gz ZPCFTJZCKDONLY-CABZTGNLSA-N 1 0 257.334 -0.859 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccn(CC)n1 ZINC001486040721 918331305 /nfs/dbraw/zinc/33/13/05/918331305.db2.gz CCJHHPKBSGHCFW-LLVKDONJSA-N 1 0 264.329 -0.393 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001486042179 918338848 /nfs/dbraw/zinc/33/88/48/918338848.db2.gz FWKGCEURIGFMIS-ZYHUDNBSSA-N 1 0 266.345 -0.159 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CNC(=O)CC1CCCC1 ZINC001486043926 918339099 /nfs/dbraw/zinc/33/90/99/918339099.db2.gz KDUHSUJUPAOUPA-ZDUSSCGKSA-N 1 0 295.383 -0.617 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nnn(C(C)C)c1C ZINC001486048421 918343112 /nfs/dbraw/zinc/34/31/12/918343112.db2.gz RUDOVRBVGKJQRF-GFCCVEGCSA-N 1 0 293.371 -0.129 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001486050595 918344812 /nfs/dbraw/zinc/34/48/12/918344812.db2.gz HZJXUJPXZAYTCJ-DZGCQCFKSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001486049735 918347574 /nfs/dbraw/zinc/34/75/74/918347574.db2.gz HXCSJQPMHAWXMY-CMPLNLGQSA-N 1 0 276.340 -0.786 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H]1C ZINC001486082782 918357228 /nfs/dbraw/zinc/35/72/28/918357228.db2.gz HAXSWKOTRIHJSF-VHSXEESVSA-N 1 0 287.310 -0.030 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C(F)F)C1 ZINC001486098955 918362701 /nfs/dbraw/zinc/36/27/01/918362701.db2.gz UBXUGLNOQHBMKJ-IUCAKERBSA-N 1 0 273.283 -0.420 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C(F)F)C1 ZINC001486098954 918362946 /nfs/dbraw/zinc/36/29/46/918362946.db2.gz UBXUGLNOQHBMKJ-DTWKUNHWSA-N 1 0 273.283 -0.420 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC)C1 ZINC001486098842 918364135 /nfs/dbraw/zinc/36/41/35/918364135.db2.gz SQGQEGYTKBFGJS-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CSCC#N ZINC001486099523 918364335 /nfs/dbraw/zinc/36/43/35/918364335.db2.gz CHXBTTWQJQNNIV-VHSXEESVSA-N 1 0 257.359 -0.186 20 30 CBEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCNS(C)(=O)=O)C1 ZINC001486112581 918366428 /nfs/dbraw/zinc/36/64/28/918366428.db2.gz QTRFLRHGVRVRRM-WDEREUQCSA-N 1 0 289.401 -0.309 20 30 CBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001486104345 918367280 /nfs/dbraw/zinc/36/72/80/918367280.db2.gz KVTUCPUQUHODIM-RYUDHWBXSA-N 1 0 283.372 -0.144 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)NCC)C[C@@H]1C ZINC001486104204 918369047 /nfs/dbraw/zinc/36/90/47/918369047.db2.gz KDGDGQCULMCDBB-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001486104731 918369535 /nfs/dbraw/zinc/36/95/35/918369535.db2.gz AUEBYWJCSMXTEF-KGLIPLIRSA-N 1 0 279.384 -0.079 20 30 CBEDRO C=CCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001486138475 918372747 /nfs/dbraw/zinc/37/27/47/918372747.db2.gz XXAYUICOSFQVDV-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001486131259 918372868 /nfs/dbraw/zinc/37/28/68/918372868.db2.gz WMFLJUZCKDAGOG-QWHCGFSZSA-N 1 0 291.355 -0.493 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001486120918 918373695 /nfs/dbraw/zinc/37/36/95/918373695.db2.gz GTWVNZAOVJLVFI-NXEZZACHSA-N 1 0 255.318 -0.747 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)COC(C)C ZINC001486263111 918396907 /nfs/dbraw/zinc/39/69/07/918396907.db2.gz LJPXSVZLJKRLKM-LBPRGKRZSA-N 1 0 256.346 -0.156 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2CC2)C1=O ZINC001486255788 918389431 /nfs/dbraw/zinc/38/94/31/918389431.db2.gz RRWODACBKSXEOP-CHWSQXEVSA-N 1 0 295.383 -0.408 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001486262915 918397089 /nfs/dbraw/zinc/39/70/89/918397089.db2.gz IILORSIXRZNPTG-LBPRGKRZSA-N 1 0 278.356 -0.226 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CSCC#N ZINC001486262163 918397579 /nfs/dbraw/zinc/39/75/79/918397579.db2.gz UBQNVSHOMWYGNK-SNVBAGLBSA-N 1 0 255.343 -0.715 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001486261854 918398612 /nfs/dbraw/zinc/39/86/12/918398612.db2.gz NPZZNRFGIRRQBE-LLVKDONJSA-N 1 0 266.345 -0.063 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001486273344 918402636 /nfs/dbraw/zinc/40/26/36/918402636.db2.gz CGWCCLMVUDIRFC-NSHDSACASA-N 1 0 280.328 -0.647 20 30 CBEDRO COCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486272447 918403647 /nfs/dbraw/zinc/40/36/47/918403647.db2.gz XTBPPINXEQYLAH-LLVKDONJSA-N 1 0 280.328 -0.445 20 30 CBEDRO CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001486274702 918405970 /nfs/dbraw/zinc/40/59/70/918405970.db2.gz QGIKSAIPLDMXPB-CYBMUJFWSA-N 1 0 295.383 -0.667 20 30 CBEDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1)C(=O)N(C)C ZINC001486276114 918406095 /nfs/dbraw/zinc/40/60/95/918406095.db2.gz CIEJDKKEINMBAX-AAEUAGOBSA-N 1 0 295.383 -0.715 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001486278625 918409000 /nfs/dbraw/zinc/40/90/00/918409000.db2.gz LCDGECUACFESRL-RYUDHWBXSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001486285157 918410527 /nfs/dbraw/zinc/41/05/27/918410527.db2.gz FGWCDHHOFKHMSI-MNOVXSKESA-N 1 0 290.385 -0.984 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001486283960 918412765 /nfs/dbraw/zinc/41/27/65/918412765.db2.gz DNZPPYBSALOQLD-RISCZKNCSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=C1CC(C)(C(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001486299504 918415343 /nfs/dbraw/zinc/41/53/43/918415343.db2.gz MUDAOAZJAPHIOV-LLVKDONJSA-N 1 0 256.346 -0.256 20 30 CBEDRO C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001486297600 918415968 /nfs/dbraw/zinc/41/59/68/918415968.db2.gz UYCWZERXBPHGSF-WDEREUQCSA-N 1 0 285.388 -0.258 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001486310458 918421098 /nfs/dbraw/zinc/42/10/98/918421098.db2.gz WVKFDFXRGNGKEG-WCQYABFASA-N 1 0 290.367 -0.443 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1cncn1C ZINC001486314050 918422340 /nfs/dbraw/zinc/42/23/40/918422340.db2.gz SOTXFNBQBNHFAG-AWEZNQCLSA-N 1 0 292.383 -0.215 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001486314845 918423685 /nfs/dbraw/zinc/42/36/85/918423685.db2.gz 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C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001491576711 919217758 /nfs/dbraw/zinc/21/77/58/919217758.db2.gz VNQVRLZQGSVICU-GARJFASQSA-N 1 0 269.345 -0.310 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001491590315 919221048 /nfs/dbraw/zinc/22/10/48/919221048.db2.gz NKBQQTLTMSMEMR-VHSXEESVSA-N 1 0 275.374 -0.958 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O)nn1 ZINC001491606231 919222524 /nfs/dbraw/zinc/22/25/24/919222524.db2.gz RUQGKXBRCGVSOA-UWVGGRQHSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001491604016 919224191 /nfs/dbraw/zinc/22/41/91/919224191.db2.gz ONGPEMHGLMOSSV-JTQLQIEISA-N 1 0 291.417 -0.015 20 30 CBEDRO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001491637120 919237910 /nfs/dbraw/zinc/23/79/10/919237910.db2.gz IHTNZVVENFKNOF-VXGBXAGGSA-N 1 0 295.387 -0.938 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001491647768 919244491 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C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001491790656 919279595 /nfs/dbraw/zinc/27/95/95/919279595.db2.gz GLHNAYLZKUVFST-NWDGAFQWSA-N 1 0 278.356 -0.184 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491800921 919280662 /nfs/dbraw/zinc/28/06/62/919280662.db2.gz SYQNKUOCDFBHHP-VXGBXAGGSA-N 1 0 281.356 -0.791 20 30 CBEDRO CC(C)[C@@H](O)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491802641 919281887 /nfs/dbraw/zinc/28/18/87/919281887.db2.gz NHSDADBESDEBHZ-WCQYABFASA-N 1 0 296.371 -0.919 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001491800900 919282271 /nfs/dbraw/zinc/28/22/71/919282271.db2.gz STTDRJOAAJYNBT-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001491795512 919282300 /nfs/dbraw/zinc/28/23/00/919282300.db2.gz QXTDOXNMYVZKEY-STQMWFEESA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001491800901 919283093 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/nfs/dbraw/zinc/26/56/04/920265604.db2.gz GXDWBWKYMUKQKJ-WDEREUQCSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001497220814 920270093 /nfs/dbraw/zinc/27/00/93/920270093.db2.gz SPLMVEKGZCTUOB-GFCCVEGCSA-N 1 0 280.372 -0.091 20 30 CBEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001497210169 920271808 /nfs/dbraw/zinc/27/18/08/920271808.db2.gz YYWARECUZIJNHY-ZJUUUORDSA-N 1 0 282.344 -0.355 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001497240945 920272999 /nfs/dbraw/zinc/27/29/99/920272999.db2.gz JRYVBMXIISFYHP-RYUDHWBXSA-N 1 0 281.356 -0.743 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001497240908 920273023 /nfs/dbraw/zinc/27/30/23/920273023.db2.gz JOJUXUGRJQZVKU-RYUDHWBXSA-N 1 0 283.372 -0.368 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)CC[NH2+]CC(N)=O)cn1 ZINC001497306909 920280120 /nfs/dbraw/zinc/28/01/20/920280120.db2.gz CCMGMHHSCZNFSG-SNVBAGLBSA-N 1 0 274.324 -0.354 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001497298308 920280158 /nfs/dbraw/zinc/28/01/58/920280158.db2.gz CRKXVRYRCPKVHQ-NSHDSACASA-N 1 0 289.401 -0.615 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001497319127 920281056 /nfs/dbraw/zinc/28/10/56/920281056.db2.gz NRLHLNFTHNWLSB-SECBINFHSA-N 1 0 275.312 -0.693 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001497333679 920284859 /nfs/dbraw/zinc/28/48/59/920284859.db2.gz UDZALTZCUSPXQS-NWDGAFQWSA-N 1 0 275.356 -0.042 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@H](C)C#N ZINC001497361850 920291960 /nfs/dbraw/zinc/29/19/60/920291960.db2.gz KCLWBCUXDTTYJF-NXEZZACHSA-N 1 0 254.334 -0.281 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C#CC1CC1 ZINC001497391845 920298797 /nfs/dbraw/zinc/29/87/97/920298797.db2.gz ZPJIKQSJUQZHMA-ZDUSSCGKSA-N 1 0 289.379 -0.024 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001497378383 920299932 /nfs/dbraw/zinc/29/99/32/920299932.db2.gz ZQDCKPKAZJDYFH-IUODEOHRSA-N 1 0 297.399 -0.018 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001497393897 920301237 /nfs/dbraw/zinc/30/12/37/920301237.db2.gz LZDACASMTVIEAB-OLZOCXBDSA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001497415234 920302660 /nfs/dbraw/zinc/30/26/60/920302660.db2.gz LPONTLXWEGGMGQ-NSHDSACASA-N 1 0 291.355 -0.383 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H](C)CC(N)=O ZINC001497435684 920308404 /nfs/dbraw/zinc/30/84/04/920308404.db2.gz DKCLAWZULWVHMK-LBPRGKRZSA-N 1 0 283.372 -0.414 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001497505591 920311301 /nfs/dbraw/zinc/31/13/01/920311301.db2.gz KDUIJKFCHIAWHZ-NSHDSACASA-N 1 0 274.386 -0.262 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccco1 ZINC001497520013 920320065 /nfs/dbraw/zinc/32/00/65/920320065.db2.gz YHCSVCASCMBZSC-UPHRSURJSA-N 1 0 276.296 -0.205 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccco1 ZINC001497520012 920321716 /nfs/dbraw/zinc/32/17/16/920321716.db2.gz YHCSVCASCMBZSC-OWOJBTEDSA-N 1 0 276.296 -0.205 20 30 CBEDRO C=CCCC(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001497540271 920324286 /nfs/dbraw/zinc/32/42/86/920324286.db2.gz IUXHCDWKYBBMLW-OMMCCPJFSA-N 1 0 282.344 -0.202 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC=CCNC(=O)c1cnc(C)[nH]1 ZINC001497539409 920324705 /nfs/dbraw/zinc/32/47/05/920324705.db2.gz ADXQRDBKGXLCEP-PLNGDYQASA-N 1 0 291.355 -0.104 20 30 CBEDRO C=CCCC(=O)NC/C=C/C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001497540269 920326443 /nfs/dbraw/zinc/32/64/43/920326443.db2.gz IUXHCDWKYBBMLW-BRAIEQGRSA-N 1 0 282.344 -0.202 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001497559866 920334089 /nfs/dbraw/zinc/33/40/89/920334089.db2.gz ZMURWMRDOWRQIY-FSIBCCDJSA-N 1 0 289.339 -0.104 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001497559869 920335147 /nfs/dbraw/zinc/33/51/47/920335147.db2.gz ZMURWMRDOWRQIY-UMBAGQNISA-N 1 0 289.339 -0.104 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C)NC(N)=O ZINC001497568146 920341696 /nfs/dbraw/zinc/34/16/96/920341696.db2.gz YSTLJRQZSXTKCG-OMMCCPJFSA-N 1 0 252.318 -0.672 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCNC1=O ZINC001497599294 920348175 /nfs/dbraw/zinc/34/81/75/920348175.db2.gz BILNXJQCCZBOKP-QMAVJUDZSA-N 1 0 263.341 -0.202 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001497598362 920348787 /nfs/dbraw/zinc/34/87/87/920348787.db2.gz LRNQGZSQBYQXAL-FOQNGQEVSA-N 1 0 291.351 -0.191 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCNC1=O ZINC001497599299 920349407 /nfs/dbraw/zinc/34/94/07/920349407.db2.gz BILNXJQCCZBOKP-ZYOFXKKJSA-N 1 0 263.341 -0.202 20 30 CBEDRO C=CC[NH2+]C/C=C/CNC(=O)CN1CCCS1(=O)=O ZINC001497601833 920353715 /nfs/dbraw/zinc/35/37/15/920353715.db2.gz VHUGMBCASMHILT-ONEGZZNKSA-N 1 0 287.385 -0.530 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)C1(C(N)=O)CC1 ZINC001497668859 920363299 /nfs/dbraw/zinc/36/32/99/920363299.db2.gz IZIZBIPMMSLXRH-IHWYPQMZSA-N 1 0 279.340 -0.836 20 30 CBEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)CN1CC(=O)N(C)C1=O ZINC001497732042 920375384 /nfs/dbraw/zinc/37/53/84/920375384.db2.gz PZXBJUFFHPZRSH-SNAWJCMRSA-N 1 0 294.355 -0.282 20 30 CBEDRO C=CCC[NH2+]C/C=C/CNC(=O)CN1CC(=O)N(C)C1=O ZINC001497730229 920376293 /nfs/dbraw/zinc/37/62/93/920376293.db2.gz JVRANWHHFDKFQG-AATRIKPKSA-N 1 0 294.355 -0.282 20 30 CBEDRO Cc1noc(C)c1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497788184 920384149 /nfs/dbraw/zinc/38/41/49/920384149.db2.gz QZFNDWVCGNQZIJ-MRVPVSSYSA-N 1 0 293.327 -0.361 20 30 CBEDRO CC(C)SCC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497790167 920384659 /nfs/dbraw/zinc/38/46/59/920384659.db2.gz WLTRFYDDXVYFIQ-SNVBAGLBSA-N 1 0 286.401 -0.138 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccccc1O ZINC001497790230 920385211 /nfs/dbraw/zinc/38/52/11/920385211.db2.gz YUPJKBIJNACEAJ-SNVBAGLBSA-N 1 0 290.323 -0.260 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001497793552 920385848 /nfs/dbraw/zinc/38/58/48/920385848.db2.gz NOEICJJNFYMHMS-SNVBAGLBSA-N 1 0 277.328 -0.825 20 30 CBEDRO C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)[C@@H](C)C#N ZINC001497798007 920391508 /nfs/dbraw/zinc/39/15/08/920391508.db2.gz PGBNFNFJBQNOFG-VHSXEESVSA-N 1 0 266.345 -0.233 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1=COCCC1 ZINC001497804993 920396350 /nfs/dbraw/zinc/39/63/50/920396350.db2.gz ZBRKNVOAFOHWQI-VXGBXAGGSA-N 1 0 293.367 -0.087 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001497814633 920397695 /nfs/dbraw/zinc/39/76/95/920397695.db2.gz SWVQBXDXZOTJGE-SNVBAGLBSA-N 1 0 279.344 -0.638 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001497823075 920402552 /nfs/dbraw/zinc/40/25/52/920402552.db2.gz UZGMENKKFUYZDM-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001497820373 920402945 /nfs/dbraw/zinc/40/29/45/920402945.db2.gz JIUNKCAUDHXWKA-MNOVXSKESA-N 1 0 289.401 -0.568 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CNC(=O)NC ZINC001497825815 920404103 /nfs/dbraw/zinc/40/41/03/920404103.db2.gz WWVNYRJDEMJWCN-SNVBAGLBSA-N 1 0 256.350 -0.024 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC(OC)C1 ZINC001497832467 920406567 /nfs/dbraw/zinc/40/65/67/920406567.db2.gz QPIUGBLKOTWBLP-VOMCLLRMSA-N 1 0 281.356 -0.745 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001497851949 920411340 /nfs/dbraw/zinc/41/13/40/920411340.db2.gz ZNSRDNWJQCJDRU-YPMHNXCESA-N 1 0 265.357 -0.028 20 30 CBEDRO CC(C)[C@H](F)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497884253 920419364 /nfs/dbraw/zinc/41/93/64/920419364.db2.gz UYPZKUVBSATFAD-KOLCDFICSA-N 1 0 272.324 -0.285 20 30 CBEDRO Cc1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)ccn1 ZINC001497945496 920424889 /nfs/dbraw/zinc/42/48/89/920424889.db2.gz LKPABYZLTGQIML-LLVKDONJSA-N 1 0 289.339 -0.262 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001497945288 920425695 /nfs/dbraw/zinc/42/56/95/920425695.db2.gz YEQMYJDKNCCBSI-SECBINFHSA-N 1 0 251.290 -0.838 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O)nc1 ZINC001497967675 920428449 /nfs/dbraw/zinc/42/84/49/920428449.db2.gz WWHFPMMEXSDICR-NXEZZACHSA-N 1 0 274.324 -0.355 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001497961879 920429465 /nfs/dbraw/zinc/42/94/65/920429465.db2.gz RVPHEBZOYDDMDY-NXEZZACHSA-N 1 0 294.359 -0.868 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCOC1 ZINC001498026834 920449166 /nfs/dbraw/zinc/44/91/66/920449166.db2.gz URKRZIUXUBJVLL-STQMWFEESA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C#CC(C)(C)C ZINC001498040396 920458527 /nfs/dbraw/zinc/45/85/27/920458527.db2.gz LEUCQENDNFDSCB-QWRGUYRKSA-N 1 0 293.367 -0.065 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001498040125 920459672 /nfs/dbraw/zinc/45/96/72/920459672.db2.gz TVLLCLGPOJKPCY-LBPRGKRZSA-N 1 0 280.372 -0.235 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001498048884 920462027 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271.361 -0.055 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCNCC2=O)CC1 ZINC000638101923 357417052 /nfs/dbraw/zinc/41/70/52/357417052.db2.gz SNUYWAILTLTUGO-GFCCVEGCSA-N 1 0 294.399 -0.427 20 30 CBEDRO C=CCn1cc(CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)nn1 ZINC000638362281 357462248 /nfs/dbraw/zinc/46/22/48/357462248.db2.gz DBHDRFAXCJYABW-DGCLKSJQSA-N 1 0 279.344 -0.153 20 30 CBEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)C[C@@]2(C)CO)C1=O ZINC000639848792 357606054 /nfs/dbraw/zinc/60/60/54/357606054.db2.gz IYBFVIIXOQIMFP-GVXVVHGQSA-N 1 0 254.330 -0.409 20 30 CBEDRO C=CCNC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639947829 357621197 /nfs/dbraw/zinc/62/11/97/357621197.db2.gz XXTMJXFEJZSCFI-STQMWFEESA-N 1 0 265.313 -0.727 20 30 CBEDRO C=CCN1CC[C@H]([NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)C1=O ZINC000639945523 357621374 /nfs/dbraw/zinc/62/13/74/357621374.db2.gz WZWDOFNIOYIYDY-LKTVYLICSA-N 1 0 291.351 -0.242 20 30 CBEDRO C=CCCCn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC000640935705 357669598 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C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000245999612 220238122 /nfs/dbraw/zinc/23/81/22/220238122.db2.gz IICRQHWTXAKMNI-NWDGAFQWSA-N 1 0 291.417 -0.181 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC000516277403 373806821 /nfs/dbraw/zinc/80/68/21/373806821.db2.gz DFNNKDHCFYRFPI-GFCCVEGCSA-N 1 0 268.361 -0.691 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H](O)C2)nc1 ZINC000521874967 373851377 /nfs/dbraw/zinc/85/13/77/373851377.db2.gz JNNDRZYMRFBYSE-PHIMTYICSA-N 1 0 281.337 -0.160 20 30 CBEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528605287 373960346 /nfs/dbraw/zinc/96/03/46/373960346.db2.gz IWVIKAINUCOQAI-ABHRYQDASA-N 1 0 297.399 -0.038 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000249250395 220240150 /nfs/dbraw/zinc/24/01/50/220240150.db2.gz XUBGYFSDMRLYLQ-VHSXEESVSA-N 1 0 255.318 -0.157 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1cc(C)no1 ZINC000261845804 220246375 /nfs/dbraw/zinc/24/63/75/220246375.db2.gz 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NC(=O)[C@H]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)O1 ZINC000262422153 220251147 /nfs/dbraw/zinc/25/11/47/220251147.db2.gz RDAAFOLIPKBCNU-VHSXEESVSA-N 1 0 254.334 -0.276 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2COC3(CCOCC3)O2)CCO1 ZINC000262428575 220251373 /nfs/dbraw/zinc/25/13/73/220251373.db2.gz DIWBEKNTHMFZKA-NWDGAFQWSA-N 1 0 299.371 -0.056 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCCS2(=O)=O)CCO1 ZINC000262435111 220251681 /nfs/dbraw/zinc/25/16/81/220251681.db2.gz GCCMSFCJMDAGKA-MNOVXSKESA-N 1 0 289.401 -0.011 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(N3CCOCC3)CC2)CCO1 ZINC000262471566 220251938 /nfs/dbraw/zinc/25/19/38/220251938.db2.gz PBCSKSBZWVSSDN-GFCCVEGCSA-N 1 0 282.388 -0.113 20 30 CBEDRO CN(C)C(=[NH2+])NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000262632491 220252272 /nfs/dbraw/zinc/25/22/72/220252272.db2.gz FYQQJNJFPGZHHN-UWVGGRQHSA-N 1 0 276.406 -0.029 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N1CCC(C(=O)OC)CC1 ZINC000262593412 220252992 /nfs/dbraw/zinc/25/29/92/220252992.db2.gz 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/nfs/dbraw/zinc/25/33/80/220253380.db2.gz YGXKZNWMRRURGL-ONGXEEELSA-N 1 0 259.375 -0.110 20 30 CBEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCN2S(C)(=O)=O)N1 ZINC000262627027 220253587 /nfs/dbraw/zinc/25/35/87/220253587.db2.gz DRZLIOXXBAWQED-DTWKUNHWSA-N 1 0 260.363 -0.652 20 30 CBEDRO N#Cc1ccc([C@H](NC[C@@H]2C[NH+]3CCN2CC3)C(N)=O)cc1 ZINC000533010149 374180687 /nfs/dbraw/zinc/18/06/87/374180687.db2.gz RYQJWKGEJDTGMS-CABCVRRESA-N 1 0 299.378 -0.326 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644225737 374504562 /nfs/dbraw/zinc/50/45/62/374504562.db2.gz VNTIDLFSSNYSJY-XQQFMLRXSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@H](CO)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000645202136 374649612 /nfs/dbraw/zinc/64/96/12/374649612.db2.gz SVOBTCXFEFGLJB-NSHDSACASA-N 1 0 262.375 -0.063 20 30 CBEDRO C=C(C)[C@@H](CO)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000645202135 374650520 /nfs/dbraw/zinc/65/05/20/374650520.db2.gz SVOBTCXFEFGLJB-LLVKDONJSA-N 1 0 262.375 -0.063 20 30 CBEDRO C=CCOCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645314347 374660603 /nfs/dbraw/zinc/66/06/03/374660603.db2.gz SPOOCFGQWDYIJE-LBPRGKRZSA-N 1 0 298.387 -0.050 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000645939761 374715923 /nfs/dbraw/zinc/71/59/23/374715923.db2.gz UCTVKESOTKOZEF-UHFFFAOYSA-N 1 0 291.355 -0.135 20 30 CBEDRO C=CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000646076300 374738309 /nfs/dbraw/zinc/73/83/09/374738309.db2.gz HNFOYEQCCZZQAY-YGRLFVJLSA-N 1 0 294.355 -0.272 20 30 CBEDRO C=C[C@H](O)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000646670680 374802122 /nfs/dbraw/zinc/80/21/22/374802122.db2.gz PIZJEFBAZJDRHI-LBPRGKRZSA-N 1 0 255.362 -0.323 20 30 CBEDRO C=C[C@H](O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000646682579 374803884 /nfs/dbraw/zinc/80/38/84/374803884.db2.gz DMAWKECKXAKBGC-ZDUSSCGKSA-N 1 0 290.367 -0.004 20 30 CBEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646870568 374833187 /nfs/dbraw/zinc/83/31/87/374833187.db2.gz YOZIEMVHLSTXHQ-RYUDHWBXSA-N 1 0 254.330 -0.286 20 30 CBEDRO C=C[C@H](O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000646894262 374834086 /nfs/dbraw/zinc/83/40/86/374834086.db2.gz RGLURVDWXZLPTQ-LBPRGKRZSA-N 1 0 254.330 -0.144 20 30 CBEDRO C=C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000646898281 374835679 /nfs/dbraw/zinc/83/56/79/374835679.db2.gz OPQCZXZGWPNEGB-VXGBXAGGSA-N 1 0 254.330 -0.286 20 30 CBEDRO CC[N@@H+]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000264654908 190125988 /nfs/dbraw/zinc/12/59/88/190125988.db2.gz PNKROQAEXDFVNA-UHFFFAOYSA-N 1 0 291.355 -0.512 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@H]2C[NH2+]CCO2)nn1 ZINC000574683706 335039004 /nfs/dbraw/zinc/03/90/04/335039004.db2.gz FCMXMWQMSPSYGU-SNVBAGLBSA-N 1 0 265.317 -0.428 20 30 CBEDRO NC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000262662525 220254680 /nfs/dbraw/zinc/25/46/80/220254680.db2.gz MGBXLSBDKYUJPO-UHFFFAOYSA-N 1 0 268.342 0.000 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CC[C@H](C(=O)N(C)C)O2)N1 ZINC000262644629 220255219 /nfs/dbraw/zinc/25/52/19/220255219.db2.gz ISYQTFIQJNDZNN-OPRDCNLKSA-N 1 0 254.334 -0.441 20 30 CBEDRO C[C@H]1C[NH+]=C(NCc2cccc(S(N)(=O)=O)c2)N1 ZINC000262653250 220255256 /nfs/dbraw/zinc/25/52/56/220255256.db2.gz KXCJVGSBZOBAJO-QMMMGPOBSA-N 1 0 268.342 -0.229 20 30 CBEDRO CN1CC[NH+]=C1NC[C@@H]1COC2(CCOCC2)O1 ZINC000262644651 220255321 /nfs/dbraw/zinc/25/53/21/220255321.db2.gz ITKQNZLLWIHMGC-SNVBAGLBSA-N 1 0 255.318 -0.201 20 30 CBEDRO C[C@H]1C[NH+]=C(NCC2CCN(S(C)(=O)=O)CC2)N1 ZINC000262636301 220255785 /nfs/dbraw/zinc/25/57/85/220255785.db2.gz GWUYVSBMWFTPRY-VIFPVBQESA-N 1 0 274.390 -0.405 20 30 CBEDRO CCCN1C[C@@H](CNC(=[NH2+])N2CCOCC2)CC1=O ZINC000263071308 220259818 /nfs/dbraw/zinc/25/98/18/220259818.db2.gz GSVCNEWQSSMJRO-LLVKDONJSA-N 1 0 268.361 -0.108 20 30 CBEDRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])NC1CCC1 ZINC000263193258 220259935 /nfs/dbraw/zinc/25/99/35/220259935.db2.gz WAVHUONIZBXJHO-UHFFFAOYSA-N 1 0 277.394 -0.724 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)N[C@H]1C[C@@H](O)C1 ZINC000263173345 220259965 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C#C[C@@H]([NH2+]CCc1cn(CC(=O)OC)nn1)[C@@H]1CCCO1 ZINC000775793154 656239397 /nfs/dbraw/zinc/23/93/97/656239397.db2.gz KGCCIGXKZLSFHB-OLZOCXBDSA-N 1 0 292.339 -0.236 20 30 CBEDRO C#CCCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000806915927 656241336 /nfs/dbraw/zinc/24/13/36/656241336.db2.gz QYIUSGZODCIFBI-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000877196203 656245604 /nfs/dbraw/zinc/24/56/04/656245604.db2.gz VNTUAYANPKYLKT-JTQLQIEISA-N 1 0 260.359 -0.155 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877196206 656245813 /nfs/dbraw/zinc/24/58/13/656245813.db2.gz VNTUAYANPKYLKT-SNVBAGLBSA-N 1 0 260.359 -0.155 20 30 CBEDRO CON=CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756579 656268806 /nfs/dbraw/zinc/26/88/06/656268806.db2.gz OPKOZTHFPWUHLN-WDEREUQCSA-N 1 0 255.318 -0.324 20 30 CBEDRO CON=CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756577 656268956 /nfs/dbraw/zinc/26/89/56/656268956.db2.gz OPKOZTHFPWUHLN-MNOVXSKESA-N 1 0 255.318 -0.324 20 30 CBEDRO C#CC1(O)CN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000895604351 656281931 /nfs/dbraw/zinc/28/19/31/656281931.db2.gz AOYXLTLYVXHJOB-RWMBFGLXSA-N 1 0 295.383 -0.126 20 30 CBEDRO C#CCSCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000897765592 656295063 /nfs/dbraw/zinc/29/50/63/656295063.db2.gz HSOWMAUUEBDNIZ-LLVKDONJSA-N 1 0 256.371 -0.074 20 30 CBEDRO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000903504276 656321999 /nfs/dbraw/zinc/32/19/99/656321999.db2.gz QUSZNEZMXIFWEI-QMMMGPOBSA-N 1 0 287.366 -0.114 20 30 CBEDRO C=CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000904986055 656331081 /nfs/dbraw/zinc/33/10/81/656331081.db2.gz FLNWZYVOLLAKQT-NSHDSACASA-N 1 0 269.345 -0.532 20 30 CBEDRO COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000904994461 656331736 /nfs/dbraw/zinc/33/17/36/656331736.db2.gz GVNCHGSVLGPDGV-NEPJUHHUSA-N 1 0 296.371 -0.559 20 30 CBEDRO COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000904994468 656331769 /nfs/dbraw/zinc/33/17/69/656331769.db2.gz GVNCHGSVLGPDGV-VXGBXAGGSA-N 1 0 296.371 -0.559 20 30 CBEDRO C=CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000905017768 656333958 /nfs/dbraw/zinc/33/39/58/656333958.db2.gz WIIKGVLFYXMHQZ-JTQLQIEISA-N 1 0 255.318 -0.922 20 30 CBEDRO CNC(NCc1cn(C(C)(C)C)c(=O)[nH]c1=O)=[NH+]C ZINC000905032400 656334791 /nfs/dbraw/zinc/33/47/91/656334791.db2.gz KIGLUUFXNFXQRO-UHFFFAOYSA-N 1 0 267.333 -0.001 20 30 CBEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905399633 656355899 /nfs/dbraw/zinc/35/58/99/656355899.db2.gz QEEWMGHASAJSAU-VXGBXAGGSA-N 1 0 257.330 -0.483 20 30 CBEDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905439471 656357580 /nfs/dbraw/zinc/35/75/80/656357580.db2.gz DVNUJCRDRFEOGZ-OLZOCXBDSA-N 1 0 254.378 -0.123 20 30 CBEDRO COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905530822 656360996 /nfs/dbraw/zinc/36/09/96/656360996.db2.gz JAOWFERWSGRKCD-JXDHDYMSSA-N 1 0 269.345 -0.098 20 30 CBEDRO C=CC[C@H](NC[C@H]1C[NH+]2CCN1CC2)C(=O)OC 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20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)CCn2cnnn2)CC1(C)C ZINC000996447460 656413604 /nfs/dbraw/zinc/41/36/04/656413604.db2.gz BSDDFJIYAIIFGT-NSHDSACASA-N 1 0 276.344 -0.477 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996470403 656415113 /nfs/dbraw/zinc/41/51/13/656415113.db2.gz SYHTYICUJITXPM-JTQLQIEISA-N 1 0 276.340 -0.431 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1(C)C ZINC000996741081 656455238 /nfs/dbraw/zinc/45/52/38/656455238.db2.gz YYSYZKCYVOQEQH-QWRGUYRKSA-N 1 0 291.351 -0.501 20 30 CBEDRO C=CC[NH2+]C1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000996741562 656455390 /nfs/dbraw/zinc/45/53/90/656455390.db2.gz WDNQGHIOJKCLDB-UHFFFAOYSA-N 1 0 279.344 -0.652 20 30 CBEDRO C=CC[NH2+]C1CCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000997236825 656470116 /nfs/dbraw/zinc/47/01/16/656470116.db2.gz NGLWLOWLQOQLHK-UHFFFAOYSA-N 1 0 293.371 -0.343 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC000997236181 656470609 /nfs/dbraw/zinc/47/06/09/656470609.db2.gz IAPWWGJRLWCMBI-AWEZNQCLSA-N 1 0 293.367 -0.553 20 30 CBEDRO C=CC[NH2+]C1CCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000997268117 656470823 /nfs/dbraw/zinc/47/08/23/656470823.db2.gz QJKJCALXOYPALX-UHFFFAOYSA-N 1 0 294.355 -0.353 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)Cc2nc3ncccn3n2)CC1 ZINC000997294517 656471886 /nfs/dbraw/zinc/47/18/86/656471886.db2.gz MPWJESPBWOODPB-UHFFFAOYSA-N 1 0 298.350 -0.119 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000997294550 656471932 /nfs/dbraw/zinc/47/19/32/656471932.db2.gz NLZUDAFSLFIDFN-UHFFFAOYSA-N 1 0 290.323 -0.687 20 30 CBEDRO C#CC[NH+]1CCC([C@H](C)NC(=O)c2nnn(C)n2)CC1 ZINC000997717940 656489345 /nfs/dbraw/zinc/48/93/45/656489345.db2.gz SGMPUZUEPPNRKB-JTQLQIEISA-N 1 0 276.344 -0.326 20 30 CBEDRO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000997707958 656489647 /nfs/dbraw/zinc/48/96/47/656489647.db2.gz DWZFNEKKPYUAKC-WCQYABFASA-N 1 0 292.383 -0.140 20 30 CBEDRO C#CCOCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907344820 656491584 /nfs/dbraw/zinc/49/15/84/656491584.db2.gz LBBQLTPTBRVQHK-UHFFFAOYSA-N 1 0 253.346 -0.754 20 30 CBEDRO C#CCn1cc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cn1 ZINC000907787810 656579877 /nfs/dbraw/zinc/57/98/77/656579877.db2.gz BIJNYNDDSIDLNW-HNNXBMFYSA-N 1 0 290.367 -0.021 20 30 CBEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2ncnn2)C1 ZINC000998771023 656580573 /nfs/dbraw/zinc/58/05/73/656580573.db2.gz RRTJBKODCIWVEQ-UHFFFAOYSA-N 1 0 250.306 -0.562 20 30 CBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CCc2nnc[nH]2)C1 ZINC000998857774 656590795 /nfs/dbraw/zinc/59/07/95/656590795.db2.gz KYBPRVJYUBAFCY-NSHDSACASA-N 1 0 261.329 -0.049 20 30 CBEDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1)C(N)=O ZINC000998968904 656599135 /nfs/dbraw/zinc/59/91/35/656599135.db2.gz HUMXMWSGKCIAJJ-KOLCDFICSA-N 1 0 289.339 -0.046 20 30 CBEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC000999016593 656601066 /nfs/dbraw/zinc/60/10/66/656601066.db2.gz SMWOMXVSDLGZSP-UHFFFAOYSA-N 1 0 279.344 -0.653 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCCN2CC)C1 ZINC000999016698 656601253 /nfs/dbraw/zinc/60/12/53/656601253.db2.gz UGQHZIAAJZFPIQ-JXQTWKCFSA-N 1 0 279.384 -0.081 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC000999022118 656602522 /nfs/dbraw/zinc/60/25/22/656602522.db2.gz UZVFYCZISPGDDH-SNVBAGLBSA-N 1 0 263.297 -0.194 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)CN2CCCNC2=O)C1 ZINC000999043744 656604741 /nfs/dbraw/zinc/60/47/41/656604741.db2.gz LGMAAASHXVCWHJ-UHFFFAOYSA-N 1 0 278.356 -0.386 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000999078972 656607854 /nfs/dbraw/zinc/60/78/54/656607854.db2.gz CGFPCMPCSVVHIX-PNESKVBLSA-N 1 0 292.383 -0.011 20 30 CBEDRO C=CCOC[C@H](NC(=O)Cc1c[nH]cn1)C(=O)OC ZINC000907927668 656610993 /nfs/dbraw/zinc/61/09/93/656610993.db2.gz IKQSXMXYPKNDLB-JTQLQIEISA-N 1 0 267.285 -0.187 20 30 CBEDRO O=C(C#CC1CC1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000999130709 656611181 /nfs/dbraw/zinc/61/11/81/656611181.db2.gz XPDHLGLQTMHEEO-STQMWFEESA-N 1 0 275.352 -0.131 20 30 CBEDRO C=CCOC[C@@H](NC(=O)Cc1c[nH]cn1)C(=O)OC ZINC000907927669 656611579 /nfs/dbraw/zinc/61/15/79/656611579.db2.gz IKQSXMXYPKNDLB-SNVBAGLBSA-N 1 0 267.285 -0.187 20 30 CBEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999164158 656613266 /nfs/dbraw/zinc/61/32/66/656613266.db2.gz QKMGTSDWMOBEDV-JTQLQIEISA-N 1 0 250.306 -0.560 20 30 CBEDRO C#CCC[C@H](O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907977734 656617056 /nfs/dbraw/zinc/61/70/56/656617056.db2.gz IWCSVBHNVAGLMV-LOWVWBTDSA-N 1 0 254.330 -0.668 20 30 CBEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000999309582 656620838 /nfs/dbraw/zinc/62/08/38/656620838.db2.gz UWNITPVYFZZMJX-LBPRGKRZSA-N 1 0 299.396 -0.764 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC000999300278 656621251 /nfs/dbraw/zinc/62/12/51/656621251.db2.gz XKMJAPSCEHVVKD-NWDGAFQWSA-N 1 0 291.351 -0.262 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000999392873 656628679 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C#CCOc1ncccc1C(=O)NCC[NH2+]C[C@H](C)O ZINC001148302651 814936888 /nfs/dbraw/zinc/93/68/88/814936888.db2.gz SNWNITQQQQGHOH-NSHDSACASA-N 1 0 277.324 -0.206 20 30 CBEDRO N#Cc1csc(CNC(=O)CN2CC[NH2+]CC2)n1 ZINC001122369164 813154611 /nfs/dbraw/zinc/15/46/11/813154611.db2.gz JYFZLBCRVVHUNZ-UHFFFAOYSA-N 1 0 265.342 -0.464 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(F)F)C1=O ZINC001122405307 813159940 /nfs/dbraw/zinc/15/99/40/813159940.db2.gz UEVYATHUTWLEMW-MRVPVSSYSA-N 1 0 261.272 -0.256 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC1 ZINC001122432121 813163724 /nfs/dbraw/zinc/16/37/24/813163724.db2.gz HVAKHURDPROEOW-UHFFFAOYSA-N 1 0 268.317 -0.886 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](S(=O)(=O)NC)C1 ZINC001122511438 813171854 /nfs/dbraw/zinc/17/18/54/813171854.db2.gz PSZJVJWUFAEPOQ-WDEREUQCSA-N 1 0 289.401 -0.180 20 30 CBEDRO CCO[C@H]1C[C@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001124147132 813410427 /nfs/dbraw/zinc/41/04/27/813410427.db2.gz HJTLCVXDBHTXJE-NEPJUHHUSA-N 1 0 254.330 -0.233 20 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WSSCVASIXRPEGU-LBPRGKRZSA-N 1 0 283.372 -0.497 20 30 CBEDRO CCCC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001133457489 814256182 /nfs/dbraw/zinc/25/61/82/814256182.db2.gz KJADWSFMRCSREN-UHFFFAOYSA-N 1 0 266.345 -0.088 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001134822363 814414444 /nfs/dbraw/zinc/41/44/44/814414444.db2.gz VCBVGJRREGLPNV-IUCAKERBSA-N 1 0 275.299 -0.126 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N2CCC2)c1 ZINC001133589573 814274640 /nfs/dbraw/zinc/27/46/40/814274640.db2.gz QCRRPKUYGFQHHE-UHFFFAOYSA-N 1 0 286.335 -0.385 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ocnc1CC ZINC001133589482 814274798 /nfs/dbraw/zinc/27/47/98/814274798.db2.gz MNIIPNDRXRZVGB-JTQLQIEISA-N 1 0 292.339 -0.306 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133843458 814304054 /nfs/dbraw/zinc/30/40/54/814304054.db2.gz CTWQHLGWAQNPBR-GHMZBOCLSA-N 1 0 274.386 -0.073 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426261 814384743 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C#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)nc1 ZINC001148370146 814941512 /nfs/dbraw/zinc/94/15/12/814941512.db2.gz KMIWVYIEBDVXKS-GFCCVEGCSA-N 1 0 272.308 -0.729 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CCS(C)(=O)=O)nc1 ZINC001148370122 814941759 /nfs/dbraw/zinc/94/17/59/814941759.db2.gz JMPMDRYBYFXHBP-UHFFFAOYSA-N 1 0 295.364 -0.573 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC2CC2)cn1 ZINC001148382812 814941891 /nfs/dbraw/zinc/94/18/91/814941891.db2.gz GCCJPWVIHRNEHH-UHFFFAOYSA-N 1 0 286.335 -0.339 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)CC(=O)N(C)C)C2)C1 ZINC001148402325 814943056 /nfs/dbraw/zinc/94/30/56/814943056.db2.gz LLKHMRRGBDQJQP-UHFFFAOYSA-N 1 0 263.341 -0.368 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001148389788 814943133 /nfs/dbraw/zinc/94/31/33/814943133.db2.gz UXESTNVOXMTWLN-ZDUSSCGKSA-N 1 0 286.335 -0.387 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148465666 814946184 /nfs/dbraw/zinc/94/61/84/814946184.db2.gz GQGVDMNEYDOCPF-CYBMUJFWSA-N 1 0 298.387 -0.845 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148557628 814949308 /nfs/dbraw/zinc/94/93/08/814949308.db2.gz ZSCDRNBXXNVKDD-UHFFFAOYSA-N 1 0 294.355 -0.540 20 30 CBEDRO C[NH+](C)CCOCC(=O)N1CC2(C1)CCN(CC#N)C2 ZINC001148604297 814953178 /nfs/dbraw/zinc/95/31/78/814953178.db2.gz CMFCKQILJMGKLF-UHFFFAOYSA-N 1 0 280.372 -0.378 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC001148677362 814956243 /nfs/dbraw/zinc/95/62/43/814956243.db2.gz XDPRTQRIXHFBRC-JTQLQIEISA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(Cl)no1 ZINC001148662140 814956627 /nfs/dbraw/zinc/95/66/27/814956627.db2.gz LQJKCOBNPRSYGV-QMMMGPOBSA-N 1 0 298.730 -0.215 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(OC)cc1 ZINC001148778582 814958470 /nfs/dbraw/zinc/95/84/70/814958470.db2.gz WFCDBLFPCISHRR-UHFFFAOYSA-N 1 0 289.335 -0.236 20 30 CBEDRO CC#CC[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)NC)C2)C1 ZINC001148783468 814959064 /nfs/dbraw/zinc/95/90/64/814959064.db2.gz HKWMMMOGZRFGIT-UHFFFAOYSA-N 1 0 299.396 -0.907 20 30 CBEDRO C=CCO[C@@H](C)C(=O)N1CC2(C1)CCN(CC(=O)NC)C2 ZINC001148874446 814959201 /nfs/dbraw/zinc/95/92/01/814959201.db2.gz WBJYZRFWGPYZKL-LBPRGKRZSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COc1ccccc1 ZINC001148859438 814959250 /nfs/dbraw/zinc/95/92/50/814959250.db2.gz MPCMUSOKXBUJQI-UHFFFAOYSA-N 1 0 289.335 -0.479 20 30 CBEDRO C[C@@H](C#N)OCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001321446666 803767979 /nfs/dbraw/zinc/76/79/79/803767979.db2.gz RTMMJVUJHLLDHG-VIFPVBQESA-N 1 0 266.301 -0.411 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccoc1 ZINC001321460032 803768586 /nfs/dbraw/zinc/76/85/86/803768586.db2.gz IBOIQKLENPBQPU-SECBINFHSA-N 1 0 264.285 -0.373 20 30 CBEDRO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CSCC#N ZINC001321464501 803769631 /nfs/dbraw/zinc/76/96/31/803769631.db2.gz PSEFLLONMKKJKQ-RKDXNWHRSA-N 1 0 298.368 -0.857 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CC ZINC001321464495 803770085 /nfs/dbraw/zinc/77/00/85/803770085.db2.gz PMQCOSJEUVYKKR-GHMZBOCLSA-N 1 0 253.346 -0.124 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001321478236 803771502 /nfs/dbraw/zinc/77/15/02/803771502.db2.gz FCOXQIZXTXAJHX-GHMZBOCLSA-N 1 0 266.345 -0.137 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccon1 ZINC001321479674 803771742 /nfs/dbraw/zinc/77/17/42/803771742.db2.gz UHTIOVYEZRZYGG-SNVBAGLBSA-N 1 0 280.328 -0.386 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cc(C#N)c[nH]1 ZINC001321490413 803774658 /nfs/dbraw/zinc/77/46/58/803774658.db2.gz LYNBQXNFXHAUPS-SECBINFHSA-N 1 0 288.311 -0.766 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nccn1CC ZINC001321499438 803775618 /nfs/dbraw/zinc/77/56/18/803775618.db2.gz FLULVGOIEUVQMC-LLVKDONJSA-N 1 0 293.371 -0.087 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001321500570 803776123 /nfs/dbraw/zinc/77/61/23/803776123.db2.gz WEQOLZYRCIQIRO-ZYHUDNBSSA-N 1 0 271.361 -0.600 20 30 CBEDRO 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C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC001119544889 812804836 /nfs/dbraw/zinc/80/48/36/812804836.db2.gz KESWCRZLPIUWPA-NWDGAFQWSA-N 1 0 281.356 -0.260 20 30 CBEDRO C=C(CO)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001119577488 812814102 /nfs/dbraw/zinc/81/41/02/812814102.db2.gz KTODGJXLFYCHIM-UHFFFAOYSA-N 1 0 269.345 -0.747 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC2CC(CO)(CO)C2)CC1 ZINC001119595500 812824963 /nfs/dbraw/zinc/82/49/63/812824963.db2.gz BEJBOHAAACQDLJ-UHFFFAOYSA-N 1 0 280.368 -0.419 20 30 CBEDRO Cn1cnnc1COCC(=O)NCC#CC[NH+](C)C ZINC001119596867 812826269 /nfs/dbraw/zinc/82/62/69/812826269.db2.gz YMXMYPKHKHPUTM-UHFFFAOYSA-N 1 0 265.317 -0.987 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C[C@H]1[NH3+] ZINC001119635673 812845412 /nfs/dbraw/zinc/84/54/12/812845412.db2.gz ZIYIOFWJPXIBMG-GYSYKLTISA-N 1 0 278.356 -0.056 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001119638225 812847796 /nfs/dbraw/zinc/84/77/96/812847796.db2.gz JBWJBQTXBOXFKD-CHWSQXEVSA-N 1 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812963408 /nfs/dbraw/zinc/96/34/08/812963408.db2.gz RWJBTLKFNYIMGB-LBPRGKRZSA-N 1 0 299.371 -0.858 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001120420622 812963500 /nfs/dbraw/zinc/96/35/00/812963500.db2.gz MGMHZQAKGLICMF-SMDDNHRTSA-N 1 0 295.408 -0.191 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001120437890 812965586 /nfs/dbraw/zinc/96/55/86/812965586.db2.gz JFISLAOMWMVDEK-AGIUHOORSA-N 1 0 295.383 -0.238 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CC(=O)Nc1cccnc1 ZINC001120487593 812973691 /nfs/dbraw/zinc/97/36/91/812973691.db2.gz BNMMJMNIKQSLAP-UHFFFAOYSA-N 1 0 260.297 -0.251 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CC1(C(N)=O)CCCC1 ZINC001120491952 812974995 /nfs/dbraw/zinc/97/49/95/812974995.db2.gz GHJMYFRIWWHOOV-UHFFFAOYSA-N 1 0 251.330 -0.239 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)CNC(C)=O)C2)C1 ZINC001120522367 812981812 /nfs/dbraw/zinc/98/18/12/812981812.db2.gz KFKAWPSTRJJYOQ-UHFFFAOYSA-N 1 0 263.341 -0.227 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001159302459 815568210 /nfs/dbraw/zinc/56/82/10/815568210.db2.gz IOTSWMOLFDGTDQ-LLVKDONJSA-N 1 0 279.340 -0.357 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159301936 815568392 /nfs/dbraw/zinc/56/83/92/815568392.db2.gz CKHUOQHXMAYRJI-JTQLQIEISA-N 1 0 265.313 -0.747 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001159303298 815568520 /nfs/dbraw/zinc/56/85/20/815568520.db2.gz XGFJAUNJGHCYSZ-JTQLQIEISA-N 1 0 267.329 -0.194 20 30 CBEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CN(C)CCN1C ZINC001120589930 812997422 /nfs/dbraw/zinc/99/74/22/812997422.db2.gz HJOMRFPCTDPGPR-SOUVJXGZSA-N 1 0 297.447 -0.583 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC12CC(O)C2 ZINC001120611272 813001197 /nfs/dbraw/zinc/00/11/97/813001197.db2.gz SVPVZUOGHUXHCC-ZFQMDJOTSA-N 1 0 253.346 -0.304 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC12CC(O)C2 ZINC001120611271 813001257 /nfs/dbraw/zinc/00/12/57/813001257.db2.gz SVPVZUOGHUXHCC-QZQSVVMZSA-N 1 0 253.346 -0.304 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001120637898 813004822 /nfs/dbraw/zinc/00/48/22/813004822.db2.gz BCEOAAPUVJKQKC-ZYHUDNBSSA-N 1 0 268.317 -0.701 20 30 CBEDRO C[NH+](C)C1(C(=O)N[C@H]2CCN(O)C2=O)CCCC1 ZINC001159331892 815569804 /nfs/dbraw/zinc/56/98/04/815569804.db2.gz XIZOVAGOVHBQJA-VIFPVBQESA-N 1 0 255.318 -0.033 20 30 CBEDRO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)C#N)C2)C1 ZINC001120834702 813022898 /nfs/dbraw/zinc/02/28/98/813022898.db2.gz MCBRNNZNKOKMIG-NJQQVTKISA-N 1 0 278.356 -0.091 20 30 CBEDRO C#CC[NH+]1CCC(Nc2cc(=O)n(C)c(=O)[nH]2)CC1 ZINC001120962974 813030204 /nfs/dbraw/zinc/03/02/04/813030204.db2.gz NDDUHVCVYMWDLE-UHFFFAOYSA-N 1 0 262.313 -0.005 20 30 CBEDRO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159382680 815571899 /nfs/dbraw/zinc/57/18/99/815571899.db2.gz UOCSEAHAYAFRSQ-NSHDSACASA-N 1 0 293.371 -0.707 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001121861619 813079492 /nfs/dbraw/zinc/07/94/92/813079492.db2.gz ANZDUNQMTXARLE-LLVKDONJSA-N 1 0 289.401 -0.178 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1nnc2n1CCCCC2 ZINC001121901347 813086191 /nfs/dbraw/zinc/08/61/91/813086191.db2.gz NYWLOEXTLMRTRR-UHFFFAOYSA-N 1 0 261.329 -0.157 20 30 CBEDRO N#Cc1c(N[C@@H](C#N)C(N)=O)ncc2c1CCC[NH2+]C2 ZINC001159469006 815576155 /nfs/dbraw/zinc/57/61/55/815576155.db2.gz RQQSENFMYXDYBG-NSHDSACASA-N 1 0 270.296 -0.222 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)OCC ZINC001122221413 813135621 /nfs/dbraw/zinc/13/56/21/813135621.db2.gz ZHHUEHWVDHUSKD-RYUDHWBXSA-N 1 0 282.340 -0.174 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC001122248219 813136957 /nfs/dbraw/zinc/13/69/57/813136957.db2.gz NCRSPDVLILWLSO-BXUZGUMPSA-N 1 0 279.340 -0.054 20 30 CBEDRO COC[C@H]1COCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001122256232 813138075 /nfs/dbraw/zinc/13/80/75/813138075.db2.gz NVVWQNUFAGNYLA-ZDUSSCGKSA-N 1 0 266.341 -0.137 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]cn1 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N#Cc1ccccc1C[NH2+]CCNC(=O)Cn1cnnn1 ZINC001123312239 813229093 /nfs/dbraw/zinc/22/90/93/813229093.db2.gz BRBDVMDZEFTIBK-UHFFFAOYSA-N 1 0 285.311 -0.549 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001159876986 815602787 /nfs/dbraw/zinc/60/27/87/815602787.db2.gz LZZWHZWOGXNSFD-AWEZNQCLSA-N 1 0 291.399 -0.068 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1C=CCC1 ZINC001123296516 813229759 /nfs/dbraw/zinc/22/97/59/813229759.db2.gz JOWXKVLJCRELNT-GFCCVEGCSA-N 1 0 263.341 -0.202 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn(C)c2)C1=O ZINC001123354164 813235033 /nfs/dbraw/zinc/23/50/33/813235033.db2.gz YUNORDNONORHPL-LBPRGKRZSA-N 1 0 291.355 -0.474 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)noc1C ZINC001123373831 813236367 /nfs/dbraw/zinc/23/63/67/813236367.db2.gz HYDNXPYDFGHSGO-SNVBAGLBSA-N 1 0 292.339 -0.251 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC=CCC1 ZINC001123381696 813237467 /nfs/dbraw/zinc/23/74/67/813237467.db2.gz OMJSNNPPDZKFHV-NSHDSACASA-N 1 0 264.329 -0.312 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1snnc1C ZINC001123392678 813238101 /nfs/dbraw/zinc/23/81/01/813238101.db2.gz RBMSUBDQFCDFDX-SECBINFHSA-N 1 0 297.384 -0.143 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCC(C)=O ZINC001123480501 813243477 /nfs/dbraw/zinc/24/34/77/813243477.db2.gz SAZGCHILUGMPLH-UHFFFAOYSA-N 1 0 269.345 -0.246 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccoc1 ZINC001123515436 813244641 /nfs/dbraw/zinc/24/46/41/813244641.db2.gz MSWGPADJXVLCRG-UHFFFAOYSA-N 1 0 294.311 -0.389 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1C ZINC001123611910 813252591 /nfs/dbraw/zinc/25/25/91/813252591.db2.gz OOTMEKRDSSIDDW-JTQLQIEISA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CC ZINC001123752069 813267457 /nfs/dbraw/zinc/26/74/57/813267457.db2.gz JFAJYRYPFKVUNA-GHMZBOCLSA-N 1 0 253.346 -0.124 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CSCC#N)C1=O ZINC001123792384 813273059 /nfs/dbraw/zinc/27/30/59/813273059.db2.gz 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298.383 -0.072 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+]CC#CCOC ZINC001127032110 813704003 /nfs/dbraw/zinc/70/40/03/813704003.db2.gz SXCMTIBZPWGSDB-UHFFFAOYSA-N 1 0 252.314 -0.618 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001127032216 813705068 /nfs/dbraw/zinc/70/50/68/813705068.db2.gz VRSUCAPVKPVNJY-CYBMUJFWSA-N 1 0 297.399 -0.107 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CNC(=O)N1CCCC1 ZINC001127035247 813705190 /nfs/dbraw/zinc/70/51/90/813705190.db2.gz GKIRZZXXMRFYAZ-UHFFFAOYSA-N 1 0 296.371 -0.853 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001127031453 813705306 /nfs/dbraw/zinc/70/53/06/813705306.db2.gz CHYCSKCDMZQRQW-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001127046337 813705535 /nfs/dbraw/zinc/70/55/35/813705535.db2.gz QCOVGSXJUFFTMS-GFCCVEGCSA-N 1 0 283.372 -0.401 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001127045438 813705753 /nfs/dbraw/zinc/70/57/53/813705753.db2.gz 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C#CCO[C@H](C)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001127052253 813707407 /nfs/dbraw/zinc/70/74/07/813707407.db2.gz SPRZQJXVGUBKBM-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001127051598 813707587 /nfs/dbraw/zinc/70/75/87/813707587.db2.gz JUUMUWJYGMVHHF-KGLIPLIRSA-N 1 0 298.383 -0.074 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](CCCC)C(N)=O ZINC001127052360 813707696 /nfs/dbraw/zinc/70/76/96/813707696.db2.gz VQDMDPSMSORGPQ-NWDGAFQWSA-N 1 0 283.372 -0.225 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001127052168 813707918 /nfs/dbraw/zinc/70/79/18/813707918.db2.gz SEIRRFKFAKAGSE-WDEREUQCSA-N 1 0 269.345 -0.793 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NCCC ZINC001127051739 813708013 /nfs/dbraw/zinc/70/80/13/813708013.db2.gz MAELCAISGGWXLJ-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001127052162 813708077 /nfs/dbraw/zinc/70/80/77/813708077.db2.gz SEIRRFKFAKAGSE-GHMZBOCLSA-N 1 0 269.345 -0.793 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001127051098 813708119 /nfs/dbraw/zinc/70/81/19/813708119.db2.gz BVCIYGLUPFPMBD-ZIAGYGMSSA-N 1 0 298.383 -0.074 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CCOCCOC ZINC001127046946 813708127 /nfs/dbraw/zinc/70/81/27/813708127.db2.gz WPFTYRCUJOFNJC-LBPRGKRZSA-N 1 0 272.345 -0.607 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn(CCOC)nn1 ZINC001127056684 813709955 /nfs/dbraw/zinc/70/99/55/813709955.db2.gz FYESQOWHFWEWDH-UHFFFAOYSA-N 1 0 265.317 -0.733 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCC1CC1 ZINC001127092563 813711719 /nfs/dbraw/zinc/71/17/19/813711719.db2.gz LINCPJVCJSBMIE-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127082280 813712027 /nfs/dbraw/zinc/71/20/27/813712027.db2.gz OGNYDMTTYLFDRW-LLVKDONJSA-N 1 0 291.417 -0.014 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CO[C@H]1CCOC1 ZINC001127148369 813716958 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ZINC001127438765 813729980 /nfs/dbraw/zinc/72/99/80/813729980.db2.gz UZJWRGXZOWKSHG-SNVBAGLBSA-N 1 0 252.322 -0.266 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)ncn1 ZINC001127458355 813731798 /nfs/dbraw/zinc/73/17/98/813731798.db2.gz FREOUXRYLQXSLL-UHFFFAOYSA-N 1 0 293.327 -0.893 20 30 CBEDRO CC(C)[C@@H]1CCO[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127528748 813733988 /nfs/dbraw/zinc/73/39/88/813733988.db2.gz NATVWPKJVCYRDL-AAEUAGOBSA-N 1 0 296.371 -0.607 20 30 CBEDRO C[NH+](C)CCn1ccc(C(=O)NCCNCC#N)n1 ZINC001127575889 813735583 /nfs/dbraw/zinc/73/55/83/813735583.db2.gz DFKUIGGOWOURDD-UHFFFAOYSA-N 1 0 264.333 -0.712 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001127604628 813737448 /nfs/dbraw/zinc/73/74/48/813737448.db2.gz HYQVMWVNJGEMRS-ZJUUUORDSA-N 1 0 255.318 -0.841 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001127609191 813737477 /nfs/dbraw/zinc/73/74/77/813737477.db2.gz OSEZAQBTTMNNMG-OLZOCXBDSA-N 1 0 293.371 -0.035 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001127604749 813737922 /nfs/dbraw/zinc/73/79/22/813737922.db2.gz MGDQBAJIVQFHKP-XQQFMLRXSA-N 1 0 286.372 -0.319 20 30 CBEDRO CCn1ccc(CC(=O)NCC[NH2+]CC#CCOC)n1 ZINC001127725732 813744404 /nfs/dbraw/zinc/74/44/04/813744404.db2.gz FNIVBGROLRMEMR-UHFFFAOYSA-N 1 0 278.356 -0.199 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@]12C[C@H]1COC2 ZINC001127747882 813746265 /nfs/dbraw/zinc/74/62/65/813746265.db2.gz KEOLVKIHRLOOSF-AAEUAGOBSA-N 1 0 254.330 -0.069 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127765909 813746704 /nfs/dbraw/zinc/74/67/04/813746704.db2.gz OLCUPKLSOCLZQY-UHFFFAOYSA-N 1 0 264.333 -0.229 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127956693 813755051 /nfs/dbraw/zinc/75/50/51/813755051.db2.gz FLPULBIFSLWINC-UHFFFAOYSA-N 1 0 263.297 -0.262 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CNC(=O)c1ccoc1 ZINC001127952675 813755305 /nfs/dbraw/zinc/75/53/05/813755305.db2.gz XZZRCHSBYRAHFH-UHFFFAOYSA-N 1 0 295.339 -0.082 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H](C)NC(=O)CC(F)(F)F ZINC001127984444 813756832 /nfs/dbraw/zinc/75/68/32/813756832.db2.gz GKOOMIGKTMDDIM-QMMMGPOBSA-N 1 0 279.262 -0.218 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)C1CS(=O)(=O)C1 ZINC001128098413 813759702 /nfs/dbraw/zinc/75/97/02/813759702.db2.gz IXGNHVCCEHTGBC-UHFFFAOYSA-N 1 0 260.359 -0.297 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)cc1Cl ZINC001128093945 813760357 /nfs/dbraw/zinc/76/03/57/813760357.db2.gz PDHAHYAYHKGUKO-UHFFFAOYSA-N 1 0 297.746 -0.858 20 30 CBEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001128246419 813765194 /nfs/dbraw/zinc/76/51/94/813765194.db2.gz YLTHMVAPWPJBCE-UHFFFAOYSA-N 1 0 284.360 -0.250 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c(F)cncc1F ZINC001128345509 813771573 /nfs/dbraw/zinc/77/15/73/813771573.db2.gz KVBSQUPOTHEMLY-UHFFFAOYSA-N 1 0 298.293 -0.019 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CCc1cc(OC)no1 ZINC001128373821 813774007 /nfs/dbraw/zinc/77/40/07/813774007.db2.gz AAWPOMYFFOCKGW-UHFFFAOYSA-N 1 0 251.286 -0.045 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCc1ccncn1 ZINC001128428077 813774768 /nfs/dbraw/zinc/77/47/68/813774768.db2.gz MBIUVNGSBVQIAB-UHFFFAOYSA-N 1 0 276.340 -0.235 20 30 CBEDRO C=C(C)[C@H](CC(=O)NCC[NH2+]CC(N)=O)OCC ZINC001128528674 813779038 /nfs/dbraw/zinc/77/90/38/813779038.db2.gz RLJWSNHCTOMJAG-JTQLQIEISA-N 1 0 257.334 -0.451 20 30 CBEDRO C=C(C)[C@@H](CC(=O)NCC[NH2+][C@H](C)C(N)=O)OCC ZINC001128529132 813780268 /nfs/dbraw/zinc/78/02/68/813780268.db2.gz YZUODVSKCAVLTA-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001128543996 813780826 /nfs/dbraw/zinc/78/08/26/813780826.db2.gz GVCQMTHKACICLM-NEPJUHHUSA-N 1 0 281.356 -0.601 20 30 CBEDRO CC[C@@H]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001128543067 813781160 /nfs/dbraw/zinc/78/11/60/813781160.db2.gz BJUFBAINDRKNSG-MNOVXSKESA-N 1 0 282.344 -0.710 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CN(C)C(=O)C(C)C ZINC001128585209 813783592 /nfs/dbraw/zinc/78/35/92/813783592.db2.gz RMYIXFJKTNWQJL-UHFFFAOYSA-N 1 0 298.387 -0.891 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001128645212 813788464 /nfs/dbraw/zinc/78/84/64/813788464.db2.gz YIMXYOLYGFLNPJ-GFCCVEGCSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001128657409 813789778 /nfs/dbraw/zinc/78/97/78/813789778.db2.gz KZDVLNUCABDDDL-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128680647 813794720 /nfs/dbraw/zinc/79/47/20/813794720.db2.gz XDDBFBLRJGUWJQ-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128728182 813796558 /nfs/dbraw/zinc/79/65/58/813796558.db2.gz MNZXURRNPCHUQK-SECBINFHSA-N 1 0 287.747 -0.018 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128879723 813805959 /nfs/dbraw/zinc/80/59/59/813805959.db2.gz LBMHLEWJAUZDNG-UHFFFAOYSA-N 1 0 288.311 -0.678 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc2n(n1)CCC2 ZINC001128905529 813807942 /nfs/dbraw/zinc/80/79/42/813807942.db2.gz 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C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001132569264 814164025 /nfs/dbraw/zinc/16/40/25/814164025.db2.gz NRUZUHOOMRCRCQ-GHMZBOCLSA-N 1 0 298.387 -0.004 20 30 CBEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132569607 814164566 /nfs/dbraw/zinc/16/45/66/814164566.db2.gz VCVOOIOCFIPBDH-RKDXNWHRSA-N 1 0 270.333 -0.655 20 30 CBEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132569566 814165064 /nfs/dbraw/zinc/16/50/64/814165064.db2.gz ULYOSODJWUVOMP-VHSXEESVSA-N 1 0 284.360 -0.394 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001132591013 814166783 /nfs/dbraw/zinc/16/67/83/814166783.db2.gz CYORAWXNNVMTPI-UHFFFAOYSA-N 1 0 253.346 -0.026 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608958 814170125 /nfs/dbraw/zinc/17/01/25/814170125.db2.gz NEAUOVSUQVMFDL-SECBINFHSA-N 1 0 259.737 -0.077 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616073 814173207 /nfs/dbraw/zinc/17/32/07/814173207.db2.gz 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JUKXSWBFIAPWGM-UHFFFAOYSA-N 1 0 299.334 -0.368 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133037391 814210073 /nfs/dbraw/zinc/21/00/73/814210073.db2.gz WICHPHYWNHNXHP-NWDGAFQWSA-N 1 0 290.371 -0.079 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133037858 814210640 /nfs/dbraw/zinc/21/06/40/814210640.db2.gz XWSQEWNIQQVFIG-QWRGUYRKSA-N 1 0 276.344 -0.469 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccnc1C ZINC001133106168 814215064 /nfs/dbraw/zinc/21/50/64/814215064.db2.gz JZXRDQITAFWJNE-UHFFFAOYSA-N 1 0 274.324 -0.541 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)s1 ZINC001133111526 814215287 /nfs/dbraw/zinc/21/52/87/814215287.db2.gz FSAAUVCQVQDLRK-JTQLQIEISA-N 1 0 293.352 -0.493 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC001133083837 814215466 /nfs/dbraw/zinc/21/54/66/814215466.db2.gz WAQSQTKERDGVET-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001133154331 814220090 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COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133515547 814268312 /nfs/dbraw/zinc/26/83/12/814268312.db2.gz QZAOGXDNMPMCCM-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](COC)OC)C1=O ZINC001133517385 814268898 /nfs/dbraw/zinc/26/88/98/814268898.db2.gz NATNBCBASHHJGH-VXGBXAGGSA-N 1 0 299.371 -0.860 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133517970 814270642 /nfs/dbraw/zinc/27/06/42/814270642.db2.gz YIKNRSFQVHEJTJ-NSHDSACASA-N 1 0 260.334 -0.444 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001133548148 814272548 /nfs/dbraw/zinc/27/25/48/814272548.db2.gz XKVXHRHEEGTXPI-BXUZGUMPSA-N 1 0 278.356 -0.088 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001133565434 814272960 /nfs/dbraw/zinc/27/29/60/814272960.db2.gz BMFCICGAWQRZKE-SECBINFHSA-N 1 0 282.344 -0.368 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC001133596941 814276796 /nfs/dbraw/zinc/27/67/96/814276796.db2.gz FOQGAIMVYYTBNP-LLVKDONJSA-N 1 0 288.351 -0.141 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133614708 814277119 /nfs/dbraw/zinc/27/71/19/814277119.db2.gz JJGWCZCZOOKSQP-NXEZZACHSA-N 1 0 252.322 -0.268 20 30 CBEDRO CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133622537 814278863 /nfs/dbraw/zinc/27/88/63/814278863.db2.gz HKRKZMRFODXONH-MNOVXSKESA-N 1 0 284.360 -0.464 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133632087 814279818 /nfs/dbraw/zinc/27/98/18/814279818.db2.gz NYAMTKWTBANCMT-UHFFFAOYSA-N 1 0 255.293 -0.809 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133633444 814280589 /nfs/dbraw/zinc/28/05/89/814280589.db2.gz SHGSKXZYXUPQKT-WDEREUQCSA-N 1 0 264.333 -0.431 20 30 CBEDRO CSCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133641688 814281786 /nfs/dbraw/zinc/28/17/86/814281786.db2.gz XBJRNYHTOGNEPG-UWVGGRQHSA-N 1 0 286.401 -0.138 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cc1C ZINC001133656558 814283426 /nfs/dbraw/zinc/28/34/26/814283426.db2.gz GYJQJVADUDXPBG-UHFFFAOYSA-N 1 0 290.323 -0.836 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133680881 814286282 /nfs/dbraw/zinc/28/62/82/814286282.db2.gz FDKYBSFUXBVMRM-NSHDSACASA-N 1 0 251.330 -0.226 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133694631 814289757 /nfs/dbraw/zinc/28/97/57/814289757.db2.gz UOANKMMZPWWDSW-NSHDSACASA-N 1 0 251.330 -0.226 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CSCC#N ZINC001133736168 814291284 /nfs/dbraw/zinc/29/12/84/814291284.db2.gz LLAMEUXDGWNAEK-RKDXNWHRSA-N 1 0 272.374 -0.399 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753714 814293629 /nfs/dbraw/zinc/29/36/29/814293629.db2.gz KZYJVPLTZKICKN-NSHDSACASA-N 1 0 259.737 -0.029 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133849397 814306841 /nfs/dbraw/zinc/30/68/41/814306841.db2.gz WVINTODSYPXGPQ-QWRGUYRKSA-N 1 0 274.386 -0.073 20 30 CBEDRO CC(C)OCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133853020 814309085 /nfs/dbraw/zinc/30/90/85/814309085.db2.gz KPEFSNXGOBXKOY-NEPJUHHUSA-N 1 0 298.387 -0.076 20 30 CBEDRO CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133900130 814321016 /nfs/dbraw/zinc/32/10/16/814321016.db2.gz DPYDXBVXOKEMFF-NEPJUHHUSA-N 1 0 298.387 -0.074 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133909894 814321810 /nfs/dbraw/zinc/32/18/10/814321810.db2.gz SITMWRGHLDFKPA-NEPJUHHUSA-N 1 0 296.371 -0.298 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133908499 814322077 /nfs/dbraw/zinc/32/20/77/814322077.db2.gz UOBRZWMWWSOMBB-ZJUUUORDSA-N 1 0 255.318 -0.984 20 30 CBEDRO CCCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133900922 814323194 /nfs/dbraw/zinc/32/31/94/814323194.db2.gz OVXGAPRERLSLFN-NEPJUHHUSA-N 1 0 298.387 -0.074 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC=C ZINC001133910082 814323707 /nfs/dbraw/zinc/32/37/07/814323707.db2.gz VOBPMYYRLYNCPK-CHWSQXEVSA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921838 814325604 /nfs/dbraw/zinc/32/56/04/814325604.db2.gz NKGFIUGNYPAXHE-WDEREUQCSA-N 1 0 251.330 -0.560 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001133920857 814325933 /nfs/dbraw/zinc/32/59/33/814325933.db2.gz KUWPVJYTZZYZJP-QWRGUYRKSA-N 1 0 296.375 -0.214 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnnn1C ZINC001133920855 814326406 /nfs/dbraw/zinc/32/64/06/814326406.db2.gz KUWPVJYTZZYZJP-GHMZBOCLSA-N 1 0 296.375 -0.214 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921116 814326565 /nfs/dbraw/zinc/32/65/65/814326565.db2.gz BXXJZBBNAGNVSC-NWDGAFQWSA-N 1 0 281.356 -0.934 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(C)(F)F)CC1 ZINC001133952965 814329125 /nfs/dbraw/zinc/32/91/25/814329125.db2.gz MQAXCLICMIEVDN-UHFFFAOYSA-N 1 0 287.310 -0.123 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133992460 814335009 /nfs/dbraw/zinc/33/50/09/814335009.db2.gz SMUPJWDXYTVGEN-UHFFFAOYSA-N 1 0 264.329 -0.004 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022333 814342147 /nfs/dbraw/zinc/34/21/47/814342147.db2.gz PGFAKAQPFMVOOP-ZJUUUORDSA-N 1 0 284.360 -0.963 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134037190 814343899 /nfs/dbraw/zinc/34/38/99/814343899.db2.gz VQPXSJNKUALSPK-NEPJUHHUSA-N 1 0 254.330 -0.233 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001134052729 814345465 /nfs/dbraw/zinc/34/54/65/814345465.db2.gz AJIZHCIDCMRBNF-UTUOFQBUSA-N 1 0 281.356 -0.438 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001134054959 814347144 /nfs/dbraw/zinc/34/71/44/814347144.db2.gz XEPMJBQLUZVDBJ-UTUOFQBUSA-N 1 0 281.356 -0.486 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134098215 814350565 /nfs/dbraw/zinc/35/05/65/814350565.db2.gz AJXLCCPAONRQGU-NSHDSACASA-N 1 0 276.344 -0.645 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134105965 814353082 /nfs/dbraw/zinc/35/30/82/814353082.db2.gz NLPLCHLNFDRCNW-UPJWGTAASA-N 1 0 266.341 -0.091 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134111141 814353860 /nfs/dbraw/zinc/35/38/60/814353860.db2.gz QWPZJGSNSNFTMK-RYUDHWBXSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#C ZINC001134130742 814355430 /nfs/dbraw/zinc/35/54/30/814355430.db2.gz LVJOACHNEOJDTG-NEPJUHHUSA-N 1 0 263.341 -0.368 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC ZINC001134130486 814355879 /nfs/dbraw/zinc/35/58/79/814355879.db2.gz IOFNCDDFZPYPRZ-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCO ZINC001134131222 814356148 /nfs/dbraw/zinc/35/61/48/814356148.db2.gz SHWONESXGAOOPW-NEPJUHHUSA-N 1 0 283.372 -0.619 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134134408 814356173 /nfs/dbraw/zinc/35/61/73/814356173.db2.gz HGHHAUYUVPLDHI-QWRGUYRKSA-N 1 0 279.344 -0.120 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(C)(C)O ZINC001134227069 814364872 /nfs/dbraw/zinc/36/48/72/814364872.db2.gz AVBGUVOBNVZRKI-GHMZBOCLSA-N 1 0 298.387 -0.340 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134262151 814365680 /nfs/dbraw/zinc/36/56/80/814365680.db2.gz WBOWRBREGPOFPJ-NWDGAFQWSA-N 1 0 293.371 -0.049 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001134260512 814366902 /nfs/dbraw/zinc/36/69/02/814366902.db2.gz KMCGBOKCOQXZNM-GHMZBOCLSA-N 1 0 268.361 -0.188 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncc[nH]1 ZINC001134294507 814371719 /nfs/dbraw/zinc/37/17/19/814371719.db2.gz SFFOMBXCBPGBMM-MNOVXSKESA-N 1 0 291.355 -0.354 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C#CC1CC1 ZINC001134317988 814373485 /nfs/dbraw/zinc/37/34/85/814373485.db2.gz PFLXBRQNIDPFKH-VHSXEESVSA-N 1 0 251.330 -0.242 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134317586 814373907 /nfs/dbraw/zinc/37/39/07/814373907.db2.gz LBBBKWGQLSYOFN-GHMZBOCLSA-N 1 0 296.371 -0.286 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]CC(N)=O ZINC001134317989 814374273 /nfs/dbraw/zinc/37/42/73/814374273.db2.gz PFLXBRQNIDPFKH-ZJUUUORDSA-N 1 0 251.330 -0.242 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001134317744 814374318 /nfs/dbraw/zinc/37/43/18/814374318.db2.gz NMZSQALLGRVZED-VHSXEESVSA-N 1 0 294.355 -0.532 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001134326318 814374911 /nfs/dbraw/zinc/37/49/11/814374911.db2.gz PCDMTHXROQVJRD-QWRGUYRKSA-N 1 0 290.371 -0.004 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134352784 814374972 /nfs/dbraw/zinc/37/49/72/814374972.db2.gz NUSDOFQTKRCXEI-QMMMGPOBSA-N 1 0 283.781 -0.618 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353039 814375286 /nfs/dbraw/zinc/37/52/86/814375286.db2.gz QUHXXSOACIJHLP-SNVBAGLBSA-N 1 0 277.390 -0.404 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353038 814375435 /nfs/dbraw/zinc/37/54/35/814375435.db2.gz QUHXXSOACIJHLP-JTQLQIEISA-N 1 0 277.390 -0.404 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO ZINC001134357382 814376724 /nfs/dbraw/zinc/37/67/24/814376724.db2.gz WMLCGVLDYANRRC-RYUDHWBXSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCO ZINC001134357380 814376998 /nfs/dbraw/zinc/37/69/98/814376998.db2.gz WMLCGVLDYANRRC-NWDGAFQWSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001134353246 814377380 /nfs/dbraw/zinc/37/73/80/814377380.db2.gz XQASKXVSGVLVTH-GHMZBOCLSA-N 1 0 269.345 -0.616 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH]cn2)C1=O ZINC001134394301 814379680 /nfs/dbraw/zinc/37/96/80/814379680.db2.gz YNVWNHXBDDIGNL-LBPRGKRZSA-N 1 0 291.355 -0.555 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398418 814381547 /nfs/dbraw/zinc/38/15/47/814381547.db2.gz AUCCDXAYTKVJCP-NXEZZACHSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456182 814386479 /nfs/dbraw/zinc/38/64/79/814386479.db2.gz PKHZCQOKRRQYTC-ZJUUUORDSA-N 1 0 282.344 -0.355 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499663 814388972 /nfs/dbraw/zinc/38/89/72/814388972.db2.gz GZDJKQVXSKREHX-QWRGUYRKSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505246 814389702 /nfs/dbraw/zinc/38/97/02/814389702.db2.gz OBXOWFRCBIQRTB-QWRGUYRKSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134508811 814390684 /nfs/dbraw/zinc/39/06/84/814390684.db2.gz IMHXKNVMVXUNIZ-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C)n1 ZINC001134521683 814391885 /nfs/dbraw/zinc/39/18/85/814391885.db2.gz NEYVOJHHXMULBI-UHFFFAOYSA-N 1 0 292.343 -0.829 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134524989 814394829 /nfs/dbraw/zinc/39/48/29/814394829.db2.gz UPFKEKVPLCYQSH-NXEZZACHSA-N 1 0 256.350 -0.026 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001134601799 814399448 /nfs/dbraw/zinc/39/94/48/814399448.db2.gz IDCNBXTXSPGPOV-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001134618916 814399925 /nfs/dbraw/zinc/39/99/25/814399925.db2.gz QGZIOJZUMYMMOD-QWHCGFSZSA-N 1 0 295.383 -0.366 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001134612618 814400347 /nfs/dbraw/zinc/40/03/47/814400347.db2.gz ARJDXVVTDSAYES-GHMZBOCLSA-N 1 0 251.330 -0.383 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001134666718 814405931 /nfs/dbraw/zinc/40/59/31/814405931.db2.gz RKNAYRCYBMZKFO-MNOVXSKESA-N 1 0 276.340 -0.100 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134696793 814407172 /nfs/dbraw/zinc/40/71/72/814407172.db2.gz MDSMJGLRUYFTJS-UHFFFAOYSA-N 1 0 296.327 -0.921 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCC1CCOCC1 ZINC001134726541 814409700 /nfs/dbraw/zinc/40/97/00/814409700.db2.gz YDOBLSRQGLYMNN-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134768268 814411316 /nfs/dbraw/zinc/41/13/16/814411316.db2.gz AOAWTOSDHBEIKC-NSHDSACASA-N 1 0 293.371 -0.087 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787396 814412467 /nfs/dbraw/zinc/41/24/67/814412467.db2.gz KFBJFELTAJQKTL-QWHCGFSZSA-N 1 0 294.399 -0.734 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787579 814412587 /nfs/dbraw/zinc/41/25/87/814412587.db2.gz MTLCOMSSEBBKKF-STQMWFEESA-N 1 0 296.415 -0.181 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786653 814412699 /nfs/dbraw/zinc/41/26/99/814412699.db2.gz DWVMVHGBCUSROY-WDEREUQCSA-N 1 0 279.344 -0.912 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134875026 814419345 /nfs/dbraw/zinc/41/93/45/814419345.db2.gz OKKYFTIIDXFKIU-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134871726 814419356 /nfs/dbraw/zinc/41/93/56/814419356.db2.gz NZPGSQYBMPTVKS-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cscn1 ZINC001134865960 814420206 /nfs/dbraw/zinc/42/02/06/814420206.db2.gz LJMXTAWRAZKKRM-JTQLQIEISA-N 1 0 294.380 -0.471 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134899354 814421134 /nfs/dbraw/zinc/42/11/34/814421134.db2.gz WLNXUYCIMNHSFY-WDEREUQCSA-N 1 0 292.339 -0.545 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)nn1 ZINC001134973510 814427906 /nfs/dbraw/zinc/42/79/06/814427906.db2.gz VJBUEKRBOJQEPJ-JTQLQIEISA-N 1 0 294.359 -0.740 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963582 814428208 /nfs/dbraw/zinc/42/82/08/814428208.db2.gz PKVKCMLUHRGFMJ-UHFFFAOYSA-N 1 0 275.374 -0.957 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)nn1 ZINC001135075258 814435536 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C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215037 814447044 /nfs/dbraw/zinc/44/70/44/814447044.db2.gz USCBQAZVIUVUQL-RKDXNWHRSA-N 1 0 252.322 -0.117 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135352473 814469115 /nfs/dbraw/zinc/46/91/15/814469115.db2.gz FKJQADFHWUPIQR-UHFFFAOYSA-N 1 0 285.388 -0.383 20 30 CBEDRO CC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001135357021 814469875 /nfs/dbraw/zinc/46/98/75/814469875.db2.gz QTHVNNZPZVHBGN-UHFFFAOYSA-N 1 0 282.344 -0.851 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)n[nH]c1C ZINC001135428573 814475941 /nfs/dbraw/zinc/47/59/41/814475941.db2.gz DOSNEXYRSZPCTI-LLVKDONJSA-N 1 0 291.355 -0.516 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1cc2n(n1)CCO2 ZINC001160024466 815607696 /nfs/dbraw/zinc/60/76/96/815607696.db2.gz MBUPVODCXRVQPO-UHFFFAOYSA-N 1 0 292.339 -0.365 20 30 CBEDRO C=CCN1CCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160432419 815621304 /nfs/dbraw/zinc/62/13/04/815621304.db2.gz VWPTYSVOIJPBTA-GFCCVEGCSA-N 1 0 263.345 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277.324 -0.334 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccco1 ZINC001135587061 814498126 /nfs/dbraw/zinc/49/81/26/814498126.db2.gz KHRWVQBEOYEIEG-UHFFFAOYSA-N 1 0 263.297 -0.723 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ncccn1 ZINC001135599361 814498161 /nfs/dbraw/zinc/49/81/61/814498161.db2.gz DMOGLWXBFHPKSD-UHFFFAOYSA-N 1 0 263.301 -0.902 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cccnn1 ZINC001135643748 814503008 /nfs/dbraw/zinc/50/30/08/814503008.db2.gz VPSAOPJDXCODIJ-UHFFFAOYSA-N 1 0 250.302 -0.001 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001160237946 815614329 /nfs/dbraw/zinc/61/43/29/815614329.db2.gz JLKNWASILDTJBE-RYUDHWBXSA-N 1 0 254.330 -0.091 20 30 CBEDRO COc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001135660662 814504522 /nfs/dbraw/zinc/50/45/22/814504522.db2.gz TZKNKRKPVWBTAZ-UHFFFAOYSA-N 1 0 280.284 -0.753 20 30 CBEDRO C#CC[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135667831 814506314 /nfs/dbraw/zinc/50/63/14/814506314.db2.gz AFUHCMXXIZYBHY-UHFFFAOYSA-N 1 0 264.285 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCOC1 ZINC001135801308 814529424 /nfs/dbraw/zinc/52/94/24/814529424.db2.gz JGDXDOUZUXMPFZ-FZMZJTMJSA-N 1 0 283.372 -0.191 20 30 CBEDRO CCC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001135947540 814539336 /nfs/dbraw/zinc/53/93/36/814539336.db2.gz CTJGNNWDKPPTKR-UHFFFAOYSA-N 1 0 296.371 -0.461 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CC)CCOCC1 ZINC001135950562 814539827 /nfs/dbraw/zinc/53/98/27/814539827.db2.gz VKWHDQVJBLCYMI-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCCOC1 ZINC001135956866 814541071 /nfs/dbraw/zinc/54/10/71/814541071.db2.gz WFTCCWLDTGYHIG-SWLSCSKDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])CC1 ZINC001160431865 815620620 /nfs/dbraw/zinc/62/06/20/815620620.db2.gz GYKGDKGVPMKDJN-ZDUSSCGKSA-N 1 0 296.415 -0.194 20 30 CBEDRO CCn1cc(C(=O)NCC[NH2+]CC#CCOC)nn1 ZINC001135994020 814543246 /nfs/dbraw/zinc/54/32/46/814543246.db2.gz BIUZLGNEMWEBHD-UHFFFAOYSA-N 1 0 265.317 -0.733 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCCOC1 ZINC001136008229 814546517 /nfs/dbraw/zinc/54/65/17/814546517.db2.gz NVZVQIMMKAJJAG-CYBMUJFWSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136022309 814548766 /nfs/dbraw/zinc/54/87/66/814548766.db2.gz XNNHEJRTJJOIDM-UHFFFAOYSA-N 1 0 262.313 -0.638 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]cc1C1CC1 ZINC001136071966 814550271 /nfs/dbraw/zinc/55/02/71/814550271.db2.gz QILNHXVQVOBMCY-UHFFFAOYSA-N 1 0 289.339 -0.149 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127044 814554497 /nfs/dbraw/zinc/55/44/97/814554497.db2.gz KFYQWXIQQKWTCY-GHMZBOCLSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127045 814554704 /nfs/dbraw/zinc/55/47/04/814554704.db2.gz KFYQWXIQQKWTCY-MNOVXSKESA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127762 814556284 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815584294 /nfs/dbraw/zinc/58/42/94/815584294.db2.gz UJJBNNNUGXEICZ-SFYZADRCSA-N 1 0 253.693 -0.584 20 30 CBEDRO CCOC(=O)[C@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001143316283 814769428 /nfs/dbraw/zinc/76/94/28/814769428.db2.gz CZAUVPQNTJFQRG-JTQLQIEISA-N 1 0 253.302 -0.100 20 30 CBEDRO CN(CC(=O)NC1(C#N)Cc2ccccc2C1)C(N)=[NH2+] ZINC001144149113 814773702 /nfs/dbraw/zinc/77/37/02/814773702.db2.gz FJOQRUATAANKPL-UHFFFAOYSA-N 1 0 271.324 -0.011 20 30 CBEDRO C=CC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146190776 814779284 /nfs/dbraw/zinc/77/92/84/814779284.db2.gz LZFCVLLYVIIYPD-UHFFFAOYSA-N 1 0 253.306 -0.777 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194138 814779636 /nfs/dbraw/zinc/77/96/36/814779636.db2.gz UDIAAIDAGMJEGH-UWVGGRQHSA-N 1 0 289.339 -0.305 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225200 814779886 /nfs/dbraw/zinc/77/98/86/814779886.db2.gz OTTGJOYILAVDBZ-RYUDHWBXSA-N 1 0 298.387 -0.433 20 30 CBEDRO 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C#C[C@](C)([NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601655 815774875 /nfs/dbraw/zinc/77/48/75/815774875.db2.gz IRZSXDHQOSKNKC-SCRDCRAPSA-N 1 0 283.347 -0.392 20 30 CBEDRO CCc1n[nH]cc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161663936 815777671 /nfs/dbraw/zinc/77/76/71/815777671.db2.gz UEBIIGBWQFGAGN-UHFFFAOYSA-N 1 0 292.343 -0.679 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)c1cn[nH]n1 ZINC001161706450 815779408 /nfs/dbraw/zinc/77/94/08/815779408.db2.gz CVSJWYLHEONNDU-UHFFFAOYSA-N 1 0 253.306 -0.283 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CN1CCCNC1=O ZINC001161760996 815785294 /nfs/dbraw/zinc/78/52/94/815785294.db2.gz QCQYSQYUQDYODZ-UHFFFAOYSA-N 1 0 266.345 -0.479 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CN1CCCNC1=O ZINC001161766511 815785429 /nfs/dbraw/zinc/78/54/29/815785429.db2.gz KXAXQAXFIKXTPW-UHFFFAOYSA-N 1 0 252.318 -0.869 20 30 CBEDRO C#CC[N@H+]1CC=C(CCNC(=O)CCNC(N)=O)CC1 ZINC001161834201 815788677 /nfs/dbraw/zinc/78/86/77/815788677.db2.gz BRGVXZVXDVZOQJ-UHFFFAOYSA-N 1 0 278.356 -0.184 20 30 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292.339 -0.387 20 30 CBEDRO C#CCN1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001293715850 816525084 /nfs/dbraw/zinc/52/50/84/816525084.db2.gz MJNYJCWKKTXTJU-OAHLLOKOSA-N 1 0 291.395 -0.125 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001294931970 816552083 /nfs/dbraw/zinc/55/20/83/816552083.db2.gz HRHOFMGPUYROKQ-VHSXEESVSA-N 1 0 255.318 -0.747 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001294931969 816552416 /nfs/dbraw/zinc/55/24/16/816552416.db2.gz HRHOFMGPUYROKQ-UWVGGRQHSA-N 1 0 255.318 -0.747 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001295471459 816571789 /nfs/dbraw/zinc/57/17/89/816571789.db2.gz IFNMWEGVTLJGGD-FZMZJTMJSA-N 1 0 285.388 -0.114 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001295529955 816575190 /nfs/dbraw/zinc/57/51/90/816575190.db2.gz VMJQCLVQCSZVMR-STQMWFEESA-N 1 0 297.399 -0.014 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001295529952 816575838 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C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001305891177 816789494 /nfs/dbraw/zinc/78/94/94/816789494.db2.gz APOSDTRJJLVFIJ-WDEREUQCSA-N 1 0 289.401 -0.322 20 30 CBEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2nnn(C)n2)c1C#N ZINC001306286741 816791680 /nfs/dbraw/zinc/79/16/80/816791680.db2.gz VVTGFHZEZCUQTJ-UHFFFAOYSA-N 1 0 289.303 -0.791 20 30 CBEDRO C#CCOCCC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC001306827777 816792328 /nfs/dbraw/zinc/79/23/28/816792328.db2.gz ZVPVFCKLMMAKNH-CYBMUJFWSA-N 1 0 256.346 -0.155 20 30 CBEDRO C[C@@H](O)[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC001307653810 816806544 /nfs/dbraw/zinc/80/65/44/816806544.db2.gz AEFZRXBWUALCOI-KCJUWKMLSA-N 1 0 267.333 -0.530 20 30 CBEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)C(C)(C)O)C1=O ZINC001307724723 816808065 /nfs/dbraw/zinc/80/80/65/816808065.db2.gz IYPQNCLFGIPUPZ-MNOVXSKESA-N 1 0 256.346 -0.163 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C(=O)NC)C1 ZINC001312789118 816855500 /nfs/dbraw/zinc/85/55/00/816855500.db2.gz 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C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccon1 ZINC001319430930 817203024 /nfs/dbraw/zinc/20/30/24/817203024.db2.gz XCQDNSRJQZWHIO-VIFPVBQESA-N 1 0 279.300 -0.636 20 30 CBEDRO C=CCOCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001319431737 817203121 /nfs/dbraw/zinc/20/31/21/817203121.db2.gz WBJSVDLBZGSRPK-ZJUUUORDSA-N 1 0 257.334 -0.501 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CC1(O)CCC1 ZINC001319454051 817206422 /nfs/dbraw/zinc/20/64/22/817206422.db2.gz MLIJQUCYTNFVOL-LLVKDONJSA-N 1 0 296.371 -0.632 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001319454038 817206561 /nfs/dbraw/zinc/20/65/61/817206561.db2.gz LZBLFPKZAWODPM-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001319455325 817206819 /nfs/dbraw/zinc/20/68/19/817206819.db2.gz QXIOMHULGKBMFE-UONOGXRCSA-N 1 0 298.383 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001319465234 817207785 /nfs/dbraw/zinc/20/77/85/817207785.db2.gz 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C[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC001319960925 817259849 /nfs/dbraw/zinc/25/98/49/817259849.db2.gz PGKPIZKBOCRUIZ-VIFPVBQESA-N 1 0 278.316 -0.589 20 30 CBEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001320019846 817268791 /nfs/dbraw/zinc/26/87/91/817268791.db2.gz DYEBNAZQBIVACZ-UHFFFAOYSA-N 1 0 295.387 -0.062 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)C ZINC001320198543 817288302 /nfs/dbraw/zinc/28/83/02/817288302.db2.gz DGYQOLRBOFJOKL-MNOVXSKESA-N 1 0 271.361 -0.600 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)n[nH]1 ZINC001320199848 817288434 /nfs/dbraw/zinc/28/84/34/817288434.db2.gz MNHIUORITPZODB-SNVBAGLBSA-N 1 0 252.318 -0.162 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)C ZINC001320198542 817289157 /nfs/dbraw/zinc/28/91/57/817289157.db2.gz DGYQOLRBOFJOKL-GHMZBOCLSA-N 1 0 271.361 -0.600 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1occc1C ZINC001320198832 817289181 /nfs/dbraw/zinc/28/91/81/817289181.db2.gz GFJFBNTZZAKVAJ-LBPRGKRZSA-N 1 0 280.324 -0.082 20 30 CBEDRO CCc1cc(C(=O)NC[C@H](O)C[NH2+]CC#CCOC)[nH]n1 ZINC001320198885 817289223 /nfs/dbraw/zinc/28/92/23/817289223.db2.gz HFUXAVWIBFECGT-GFCCVEGCSA-N 1 0 294.355 -0.698 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC=CC1 ZINC001320199544 817289367 /nfs/dbraw/zinc/28/93/67/817289367.db2.gz ASCBDUBDOYSMTF-CYBMUJFWSA-N 1 0 266.341 -0.331 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncoc1CC ZINC001320200449 817290092 /nfs/dbraw/zinc/29/00/92/817290092.db2.gz GJPAMXATWNPVRI-SNVBAGLBSA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001320201761 817290263 /nfs/dbraw/zinc/29/02/63/817290263.db2.gz LJBOMFPHWXQOQY-SNVBAGLBSA-N 1 0 252.318 -0.405 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1occc1C ZINC001320201887 817290339 /nfs/dbraw/zinc/29/03/39/817290339.db2.gz QMEUTOHRFMTINQ-NSHDSACASA-N 1 0 293.323 -0.982 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nn(C)cc1C ZINC001320214843 817294560 /nfs/dbraw/zinc/29/45/60/817294560.db2.gz AYIVWMKAGCXMHP-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C)nn1 ZINC001320214788 817294746 /nfs/dbraw/zinc/29/47/46/817294746.db2.gz AIJQTHTZLDKJCW-SNVBAGLBSA-N 1 0 250.302 -0.349 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001320214698 817294921 /nfs/dbraw/zinc/29/49/21/817294921.db2.gz OPQUMHQTWWDDOJ-ZDUSSCGKSA-N 1 0 292.339 -0.885 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C=C1CCC1 ZINC001320214325 817295147 /nfs/dbraw/zinc/29/51/47/817295147.db2.gz CAXCUAGIUGVRPA-ZDUSSCGKSA-N 1 0 266.341 -0.187 20 30 CBEDRO CN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1)C1CC1 ZINC001320218717 817295566 /nfs/dbraw/zinc/29/55/66/817295566.db2.gz UIIBECPKEBKXRI-CYBMUJFWSA-N 1 0 293.367 -0.913 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)o1 ZINC001320218745 817295945 /nfs/dbraw/zinc/29/59/45/817295945.db2.gz UPOAFIGTQZRUMX-LBPRGKRZSA-N 1 0 277.324 -0.037 20 30 CBEDRO COCCCC[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001320216509 817296275 /nfs/dbraw/zinc/29/62/75/817296275.db2.gz LGOVXUQPEYCAMH-ZDUSSCGKSA-N 1 0 268.357 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001320219341 817296883 /nfs/dbraw/zinc/29/68/83/817296883.db2.gz XBMMWZWESYPTAB-GFCCVEGCSA-N 1 0 264.329 -0.947 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001320219706 817297117 /nfs/dbraw/zinc/29/71/17/817297117.db2.gz ZTELDGNNPWRVOO-MNOVXSKESA-N 1 0 297.380 -0.252 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OCC)C(C)C ZINC001320219433 817297325 /nfs/dbraw/zinc/29/73/25/817297325.db2.gz YBUBQUZIBKAXEN-NEPJUHHUSA-N 1 0 256.346 -0.253 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001320235699 817301006 /nfs/dbraw/zinc/30/10/06/817301006.db2.gz QDPMRRRJBIQLAR-MRVPVSSYSA-N 1 0 277.752 -0.683 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1nc(C)cc1C ZINC001320244800 817302869 /nfs/dbraw/zinc/30/28/69/817302869.db2.gz JTGFCNRKHDIPQB-LBPRGKRZSA-N 1 0 266.345 -0.247 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CCF)c1 ZINC001320244262 817303029 /nfs/dbraw/zinc/30/30/29/817303029.db2.gz ZJBYHEHIXPCGRF-GFCCVEGCSA-N 1 0 282.319 -0.444 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nnc2ccccc2n1 ZINC001320249327 817303751 /nfs/dbraw/zinc/30/37/51/817303751.db2.gz JWVJLTLAVMCPFN-SNVBAGLBSA-N 1 0 285.307 -0.662 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001320247612 817304548 /nfs/dbraw/zinc/30/45/48/817304548.db2.gz RZGROQLNAWHLJT-MRVPVSSYSA-N 1 0 270.720 -0.613 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)C=CCC1 ZINC001320256394 817305516 /nfs/dbraw/zinc/30/55/16/817305516.db2.gz HGZSJWCPWBOUGB-WFASDCNBSA-N 1 0 295.383 -0.288 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1c(C)nn(C)c1C ZINC001320257361 817305550 /nfs/dbraw/zinc/30/55/50/817305550.db2.gz HXYGHGBWWDKSCQ-CYBMUJFWSA-N 1 0 292.383 -0.331 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C)CCCC1 ZINC001320262208 817306872 /nfs/dbraw/zinc/30/68/72/817306872.db2.gz WIZYULWFJNSUSY-LBPRGKRZSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](CC)C(N)=O ZINC001320259048 817306997 /nfs/dbraw/zinc/30/69/97/817306997.db2.gz OKPPSFSJBVTSKO-NXEZZACHSA-N 1 0 271.361 -0.471 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001320270372 817309527 /nfs/dbraw/zinc/30/95/27/817309527.db2.gz LMAPSMYHRNZYDF-VIFPVBQESA-N 1 0 268.317 -0.618 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)C1 ZINC001320272220 817309898 /nfs/dbraw/zinc/30/98/98/817309898.db2.gz HDARTBYPTSHMJY-WDEREUQCSA-N 1 0 256.346 -0.210 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001320271142 817309918 /nfs/dbraw/zinc/30/99/18/817309918.db2.gz BKMDDCPNVXTECG-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(F)F ZINC001320271672 817310229 /nfs/dbraw/zinc/31/02/29/817310229.db2.gz DTBLDLUARVKRTR-JTQLQIEISA-N 1 0 292.326 -0.006 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl)nn1 ZINC001320281922 817312414 /nfs/dbraw/zinc/31/24/14/817312414.db2.gz DZOBVTQPLAHRTN-HMDXOVGESA-N 1 0 299.762 -0.103 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001320282458 817312856 /nfs/dbraw/zinc/31/28/56/817312856.db2.gz HXFSPZXQOSAHFW-CHWSQXEVSA-N 1 0 278.356 -0.076 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001320279710 817313009 /nfs/dbraw/zinc/31/30/09/817313009.db2.gz FVXTWRQBHKBPIR-HZSPNIEDSA-N 1 0 290.367 -0.386 20 30 CBEDRO CO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001320364254 817328005 /nfs/dbraw/zinc/32/80/05/817328005.db2.gz ZHGZFGBEYPMHIH-ZJUUUORDSA-N 1 0 270.333 -0.855 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@H](O)C[NH2+]CC)nn1 ZINC001320284500 817314298 /nfs/dbraw/zinc/31/42/98/817314298.db2.gz UUBNMQVETJQQKO-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OC)o1 ZINC001320293630 817316805 /nfs/dbraw/zinc/31/68/05/817316805.db2.gz XPCAEUMZTKZTEV-SNVBAGLBSA-N 1 0 266.297 -0.008 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001320294475 817317001 /nfs/dbraw/zinc/31/70/01/817317001.db2.gz CDYWEHXXWSPMKZ-UKRRQHHQSA-N 1 0 295.383 -0.665 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1noc2c1COCC2 ZINC001320310759 817319229 /nfs/dbraw/zinc/31/92/29/817319229.db2.gz ASTRNPFEWFCEOV-JTQLQIEISA-N 1 0 293.323 -0.549 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001320304067 817320104 /nfs/dbraw/zinc/32/01/04/817320104.db2.gz OYKUFBSNMFQSBI-QWRGUYRKSA-N 1 0 269.345 -0.750 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ccccn1 ZINC001320327890 817322538 /nfs/dbraw/zinc/32/25/38/817322538.db2.gz JWVBYNFHHVLZIK-LLVKDONJSA-N 1 0 289.339 -0.181 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001320372366 817328809 /nfs/dbraw/zinc/32/88/09/817328809.db2.gz PASBFOYQFWMUEZ-WDEREUQCSA-N 1 0 296.371 -0.948 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001320384840 817330466 /nfs/dbraw/zinc/33/04/66/817330466.db2.gz 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291.351 -0.220 20 30 CBEDRO N#CCC1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001173333094 820400116 /nfs/dbraw/zinc/40/01/16/820400116.db2.gz XVBAISIEELXLPD-UHFFFAOYSA-N 1 0 252.318 -0.350 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174694620 820414916 /nfs/dbraw/zinc/41/49/16/820414916.db2.gz UGNOMUCQTNICBC-RYUDHWBXSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001174694619 820416081 /nfs/dbraw/zinc/41/60/81/820416081.db2.gz UGNOMUCQTNICBC-NWDGAFQWSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cnn(CCOC)c1 ZINC001174836667 820417533 /nfs/dbraw/zinc/41/75/33/820417533.db2.gz YWVWXTDIVPUHAZ-UHFFFAOYSA-N 1 0 264.329 -0.128 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174835090 820417592 /nfs/dbraw/zinc/41/75/92/820417592.db2.gz DNBXALZIZJDJGU-CYBMUJFWSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccn(C)n1 ZINC001176089324 820439998 /nfs/dbraw/zinc/43/99/98/820439998.db2.gz XSXPMIGSXCWLRX-NSHDSACASA-N 1 0 293.371 -0.180 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCCOC1 ZINC001176241325 820443419 /nfs/dbraw/zinc/44/34/19/820443419.db2.gz WMXCFPUYGRPQDW-LBPRGKRZSA-N 1 0 296.371 -0.461 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)C(C)C ZINC001176361660 820448556 /nfs/dbraw/zinc/44/85/56/820448556.db2.gz LIANFAAACFOYHY-UHFFFAOYSA-N 1 0 260.359 -0.461 20 30 CBEDRO CCN1CCO[C@@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001176644520 820454910 /nfs/dbraw/zinc/45/49/10/820454910.db2.gz UQGIWNRGIOZRJI-CQSZACIVSA-N 1 0 297.399 -0.547 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C(C)(C)NC(=O)NC ZINC001176898226 820477296 /nfs/dbraw/zinc/47/72/96/820477296.db2.gz PHLAMIQERMUVIQ-UHFFFAOYSA-N 1 0 268.361 -0.187 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCCCNCC#N)CC1 ZINC001176925978 820479859 /nfs/dbraw/zinc/47/98/59/820479859.db2.gz FPADUZJCJZYAMO-UHFFFAOYSA-N 1 0 262.357 -0.049 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001176965763 820483504 /nfs/dbraw/zinc/48/35/04/820483504.db2.gz QVZZBZNRTSSKKA-NWDGAFQWSA-N 1 0 254.330 -0.951 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001177007563 820487281 /nfs/dbraw/zinc/48/72/81/820487281.db2.gz GWQXZCHWLCSDIT-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)CCCC ZINC001177064789 820490957 /nfs/dbraw/zinc/49/09/57/820490957.db2.gz RLEJTRGUHAWYOQ-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001177273024 820500699 /nfs/dbraw/zinc/50/06/99/820500699.db2.gz FJJVKJVFAMHIOV-GFCCVEGCSA-N 1 0 298.387 -0.301 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001177269943 820501051 /nfs/dbraw/zinc/50/10/51/820501051.db2.gz ZOWHBEJRDLHWGL-LLVKDONJSA-N 1 0 296.375 -0.040 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001177273775 820501226 /nfs/dbraw/zinc/50/12/26/820501226.db2.gz YQYQGEGZVUMTKW-RYUDHWBXSA-N 1 0 274.361 -0.319 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001177269234 820501398 /nfs/dbraw/zinc/50/13/98/820501398.db2.gz IFIWTYZXBWJKHK-NSHDSACASA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CC(=O)NCC=C ZINC001177264539 820501464 /nfs/dbraw/zinc/50/14/64/820501464.db2.gz NQVODMQQMDLAKR-UHFFFAOYSA-N 1 0 283.372 -0.023 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001177260399 820501823 /nfs/dbraw/zinc/50/18/23/820501823.db2.gz LCSWTZWNUQWECP-UHFFFAOYSA-N 1 0 281.360 -0.033 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001177277451 820503182 /nfs/dbraw/zinc/50/31/82/820503182.db2.gz SDTRJAYINGEBEN-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)OCC=C ZINC001177277230 820503244 /nfs/dbraw/zinc/50/32/44/820503244.db2.gz PTOPVXOENVYTSW-OLZOCXBDSA-N 1 0 295.383 -0.189 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001177277668 820503415 /nfs/dbraw/zinc/50/34/15/820503415.db2.gz UXIASJAOSLJNPL-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO CO/N=C(\C(=O)NCC[NH2+]CCO)c1ccco1 ZINC001177353406 820506507 /nfs/dbraw/zinc/50/65/07/820506507.db2.gz LUIOCWXAVDLUHT-UVTDQMKNSA-N 1 0 255.274 -0.672 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177400183 820510566 /nfs/dbraw/zinc/51/05/66/820510566.db2.gz FAEGLJYXIPZOBR-LLVKDONJSA-N 1 0 298.387 -0.571 20 30 CBEDRO CC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001177697258 820532631 /nfs/dbraw/zinc/53/26/31/820532631.db2.gz ZBDXKYPMHFXHGE-UHFFFAOYSA-N 1 0 254.334 -0.088 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177405313 820512822 /nfs/dbraw/zinc/51/28/22/820512822.db2.gz MRSLMOGLPSNIEI-UHFFFAOYSA-N 1 0 264.329 -0.371 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)COC[C@H]1CCCO1 ZINC001177478345 820522251 /nfs/dbraw/zinc/52/22/51/820522251.db2.gz SEKFCQUERXLWSM-GFCCVEGCSA-N 1 0 254.330 -0.089 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177601413 820527531 /nfs/dbraw/zinc/52/75/31/820527531.db2.gz VUSRDDKYKLLCER-LLVKDONJSA-N 1 0 297.355 -0.662 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177601414 820527588 /nfs/dbraw/zinc/52/75/88/820527588.db2.gz VUSRDDKYKLLCER-NSHDSACASA-N 1 0 297.355 -0.662 20 30 CBEDRO C#CCC[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177877871 820547137 /nfs/dbraw/zinc/54/71/37/820547137.db2.gz RIUNCFPOFFAFJP-UHFFFAOYSA-N 1 0 278.360 -0.037 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC001177982601 820550582 /nfs/dbraw/zinc/55/05/82/820550582.db2.gz DKDXSOHKBILQPG-SRVKXCTJSA-N 1 0 283.372 -0.098 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OCC)[C@H]1C ZINC001178179357 820567790 /nfs/dbraw/zinc/56/77/90/820567790.db2.gz PVTQLDGLJSZWAB-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178216105 820569492 /nfs/dbraw/zinc/56/94/92/820569492.db2.gz HUWGYFGEBXLMJF-QWRGUYRKSA-N 1 0 267.329 -0.055 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)[C@H]1C ZINC001178226686 820570100 /nfs/dbraw/zinc/57/01/00/820570100.db2.gz SEZXMZDLFJBVGK-SRVKXCTJSA-N 1 0 283.372 -0.098 20 30 CBEDRO CO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178225358 820570383 /nfs/dbraw/zinc/57/03/83/820570383.db2.gz KLVJSGLSHQETEA-DCAQKATOSA-N 1 0 282.344 -0.760 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+]C[C@@H](C)O ZINC001178262544 820571315 /nfs/dbraw/zinc/57/13/15/820571315.db2.gz NWTPYPUVCWDSPM-CYBMUJFWSA-N 1 0 297.399 -0.227 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178338596 820575568 /nfs/dbraw/zinc/57/55/68/820575568.db2.gz FKARLBWDQANIPT-UWVGGRQHSA-N 1 0 255.318 -0.747 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178339161 820575969 /nfs/dbraw/zinc/57/59/69/820575969.db2.gz WQOYKEPQEUXHCB-RYUDHWBXSA-N 1 0 283.372 -0.144 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178351843 820577713 /nfs/dbraw/zinc/57/77/13/820577713.db2.gz YLESXXMIQABZGZ-SRVKXCTJSA-N 1 0 269.345 -0.266 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178396097 820580998 /nfs/dbraw/zinc/58/09/98/820580998.db2.gz SRAXYCXQEBVRCU-DCAQKATOSA-N 1 0 296.371 -0.869 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H]1C ZINC001178488802 820583347 /nfs/dbraw/zinc/58/33/47/820583347.db2.gz GFQGJOIICIKYCS-IHRRRGAJSA-N 1 0 279.384 -0.081 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178487045 820583624 /nfs/dbraw/zinc/58/36/24/820583624.db2.gz LYFNIKIMDRLSNI-UHFFFAOYSA-N 1 0 264.333 -0.428 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178547794 820590636 /nfs/dbraw/zinc/59/06/36/820590636.db2.gz FTOQUMWDDSEPIY-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178572592 820591267 /nfs/dbraw/zinc/59/12/67/820591267.db2.gz MKROJXDMWFOTGX-MJVIPROJSA-N 1 0 283.372 -0.362 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C ZINC001178610906 820592348 /nfs/dbraw/zinc/59/23/48/820592348.db2.gz BUWHUJIMRRHEGW-SGMGOOAPSA-N 1 0 297.399 -0.116 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC2(F)F)[C@H]1C ZINC001178632077 820593365 /nfs/dbraw/zinc/59/33/65/820593365.db2.gz DLCIVNZLMZVPDY-AXFHLTTASA-N 1 0 299.321 -0.030 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ncc[nH]1 ZINC001178645446 820594105 /nfs/dbraw/zinc/59/41/05/820594105.db2.gz MCPUZPKSTGTNQN-UWVGGRQHSA-N 1 0 290.327 -0.758 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC)[C@@H]1C ZINC001178678347 820594277 /nfs/dbraw/zinc/59/42/77/820594277.db2.gz HNERZXGRYOSGPJ-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H]1C ZINC001178684937 820595287 /nfs/dbraw/zinc/59/52/87/820595287.db2.gz MKXZWLWULOZWAF-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178681725 820595545 /nfs/dbraw/zinc/59/55/45/820595545.db2.gz KARGZYPBECQEGQ-RYUDHWBXSA-N 1 0 281.356 -0.649 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)[C@H]1C ZINC001178772498 820599738 /nfs/dbraw/zinc/59/97/38/820599738.db2.gz ZURXDRNIGXJZNK-JQWIXIFHSA-N 1 0 284.381 -0.367 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178788573 820601259 /nfs/dbraw/zinc/60/12/59/820601259.db2.gz JYRARTNSVLTAFV-RYUDHWBXSA-N 1 0 261.329 -0.120 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C ZINC001178826219 820603086 /nfs/dbraw/zinc/60/30/86/820603086.db2.gz WURQKTFOOIBURG-QWRGUYRKSA-N 1 0 287.385 -0.862 20 30 CBEDRO CNC(=O)NCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001178850352 820604897 /nfs/dbraw/zinc/60/48/97/820604897.db2.gz WJBDXRQZSNNZKJ-RYUDHWBXSA-N 1 0 296.371 -0.856 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178835857 820604902 /nfs/dbraw/zinc/60/49/02/820604902.db2.gz YJFXFZNQCVIYLV-UWVGGRQHSA-N 1 0 252.318 -0.872 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178849904 820604911 /nfs/dbraw/zinc/60/49/11/820604911.db2.gz SISWVIGFQQMCFF-RYUDHWBXSA-N 1 0 298.387 -0.303 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300761 820623268 /nfs/dbraw/zinc/62/32/68/820623268.db2.gz XJTBHPMMZGDNCP-SRVKXCTJSA-N 1 0 263.341 -0.275 20 30 CBEDRO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179322710 820625523 /nfs/dbraw/zinc/62/55/23/820625523.db2.gz XOMMGNZADCWIEE-BJDJZHNGSA-N 1 0 278.356 -0.139 20 30 CBEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001179438752 820627244 /nfs/dbraw/zinc/62/72/44/820627244.db2.gz ZYRSTXPQWMAJIA-SECBINFHSA-N 1 0 253.306 -0.820 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431380 820627462 /nfs/dbraw/zinc/62/74/62/820627462.db2.gz XNQJYSAQHWHDQE-SRVKXCTJSA-N 1 0 296.371 -0.551 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543941 820631991 /nfs/dbraw/zinc/63/19/91/820631991.db2.gz LXKZTJPJSXRALH-RNJOBUHISA-N 1 0 295.383 -0.111 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001180088585 820650192 /nfs/dbraw/zinc/65/01/92/820650192.db2.gz LWEDBKCVZYKRMY-RYUDHWBXSA-N 1 0 291.351 -0.262 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096575 820650602 /nfs/dbraw/zinc/65/06/02/820650602.db2.gz VGVYKTOLZFYVFC-UWVGGRQHSA-N 1 0 254.334 -0.190 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001180069733 820650638 /nfs/dbraw/zinc/65/06/38/820650638.db2.gz FIFJOSGVLWBQDM-RYUDHWBXSA-N 1 0 288.351 -0.004 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180143710 820652594 /nfs/dbraw/zinc/65/25/94/820652594.db2.gz RGLZGFGVLKCTFF-SDDRHHMPSA-N 1 0 299.396 -0.720 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001180431148 820678280 /nfs/dbraw/zinc/67/82/80/820678280.db2.gz SJJRCFXYAISGIS-BXUZGUMPSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC)C1 ZINC001180546958 820684371 /nfs/dbraw/zinc/68/43/71/820684371.db2.gz JIPOAAQMZUJHRR-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180547283 820684658 /nfs/dbraw/zinc/68/46/58/820684658.db2.gz MQCCRAKRFMQOMJ-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC)C1 ZINC001180546957 820684816 /nfs/dbraw/zinc/68/48/16/820684816.db2.gz JIPOAAQMZUJHRR-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC001180571156 820694990 /nfs/dbraw/zinc/69/49/90/820694990.db2.gz ZUMGGTJRZPSACW-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC2)C1 ZINC001180587681 820696564 /nfs/dbraw/zinc/69/65/64/820696564.db2.gz PYOORZDBDFBKBT-LLVKDONJSA-N 1 0 251.330 -0.111 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001180633409 820703846 /nfs/dbraw/zinc/70/38/46/820703846.db2.gz DKMVKRCMUYWEAL-CYBMUJFWSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180828267 820728159 /nfs/dbraw/zinc/72/81/59/820728159.db2.gz 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CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)COC)C1 ZINC001181550641 820796191 /nfs/dbraw/zinc/79/61/91/820796191.db2.gz NWGPFKQRZUDLHL-VXGBXAGGSA-N 1 0 283.372 -0.238 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181617368 820804673 /nfs/dbraw/zinc/80/46/73/820804673.db2.gz AXEKPYBPJLSUPD-GFCCVEGCSA-N 1 0 272.345 -0.612 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001181617410 820805661 /nfs/dbraw/zinc/80/56/61/820805661.db2.gz CAFFCSDVJBVXAZ-VXGBXAGGSA-N 1 0 281.356 -0.390 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001181617409 820805722 /nfs/dbraw/zinc/80/57/22/820805722.db2.gz CAFFCSDVJBVXAZ-NEPJUHHUSA-N 1 0 281.356 -0.390 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181644251 820806351 /nfs/dbraw/zinc/80/63/51/820806351.db2.gz KHZCOWSPWBEOPU-GFCCVEGCSA-N 1 0 281.356 -0.342 20 30 CBEDRO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181652694 820806475 /nfs/dbraw/zinc/80/64/75/820806475.db2.gz OPILIBPAZLZXQC-WCQYABFASA-N 1 0 296.371 -0.511 20 30 CBEDRO CSC[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181660679 820808967 /nfs/dbraw/zinc/80/89/67/820808967.db2.gz CCNUIULZBMUUGG-WDEREUQCSA-N 1 0 298.412 -0.184 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181723943 820816399 /nfs/dbraw/zinc/81/63/99/820816399.db2.gz ZNGDSMOHYJCJNS-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181878047 820835597 /nfs/dbraw/zinc/83/55/97/820835597.db2.gz DRJIDUSXVHDRLN-MWLCHTKSSA-N 1 0 289.339 -0.175 20 30 CBEDRO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181878036 820836356 /nfs/dbraw/zinc/83/63/56/820836356.db2.gz DJTMUHMRYYVRNO-LLVKDONJSA-N 1 0 289.339 -0.173 20 30 CBEDRO Cc1ncoc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181879113 820836478 /nfs/dbraw/zinc/83/64/78/820836478.db2.gz OIYALWOMQLREQL-SNVBAGLBSA-N 1 0 291.311 -0.573 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001181920298 820840260 /nfs/dbraw/zinc/84/02/60/820840260.db2.gz FMXGTSZAGJCBFE-GFCCVEGCSA-N 1 0 288.351 -0.123 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001181906516 820840676 /nfs/dbraw/zinc/84/06/76/820840676.db2.gz GYRGOHXFFUWHJF-DKRCXCIFSA-N 1 0 263.341 -0.108 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001181978990 820842852 /nfs/dbraw/zinc/84/28/52/820842852.db2.gz KQMUEDBAZIUYDG-CHWSQXEVSA-N 1 0 295.383 -0.094 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001182014241 820848068 /nfs/dbraw/zinc/84/80/68/820848068.db2.gz DUDUYTJSYTYMNJ-GFCCVEGCSA-N 1 0 276.340 -0.126 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001182073703 820860486 /nfs/dbraw/zinc/86/04/86/820860486.db2.gz HQQQFURKOHBOJL-UPJWGTAASA-N 1 0 293.367 -0.506 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001182068291 820860920 /nfs/dbraw/zinc/86/09/20/820860920.db2.gz XXOADFVYSDCQAM-OLZOCXBDSA-N 1 0 265.357 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/nfs/dbraw/zinc/89/70/98/820897098.db2.gz FQTFEJDNJUHYFE-GFCCVEGCSA-N 1 0 291.355 -0.248 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182389686 820911654 /nfs/dbraw/zinc/91/16/54/820911654.db2.gz VEXUXKPEAMBSDF-GFCCVEGCSA-N 1 0 274.324 -0.770 20 30 CBEDRO CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182415030 820914356 /nfs/dbraw/zinc/91/43/56/820914356.db2.gz SYWZLTMIPCVPSW-GFCCVEGCSA-N 1 0 299.396 -0.861 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182423127 820916181 /nfs/dbraw/zinc/91/61/81/820916181.db2.gz RQCRCLHMOYKZRP-CYBMUJFWSA-N 1 0 268.357 -0.155 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182432232 820917203 /nfs/dbraw/zinc/91/72/03/820917203.db2.gz UALJCKNECLACRA-NWDGAFQWSA-N 1 0 265.357 -0.029 20 30 CBEDRO CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001182437831 820918721 /nfs/dbraw/zinc/91/87/21/820918721.db2.gz SOHHHLOIFIXMGH-TYNCELHUSA-N 1 0 292.383 -0.235 20 30 CBEDRO C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(N)=O)C[C@H]1C ZINC001182446676 820918898 /nfs/dbraw/zinc/91/88/98/820918898.db2.gz LAEHUEUIENXEEZ-ZWNOBZJWSA-N 1 0 251.330 -0.431 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001182513305 820926023 /nfs/dbraw/zinc/92/60/23/820926023.db2.gz DBXXEWHESCBLEJ-OLZOCXBDSA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccncc2)C1 ZINC001182766232 820942869 /nfs/dbraw/zinc/94/28/69/820942869.db2.gz WCKREVAVKYPFHM-CYBMUJFWSA-N 1 0 286.335 -0.365 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001182802912 820944343 /nfs/dbraw/zinc/94/43/43/820944343.db2.gz OMHYGYZYEFHUOA-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001182803803 820945192 /nfs/dbraw/zinc/94/51/92/820945192.db2.gz WUVOMTPRRYJRIE-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182878810 820953603 /nfs/dbraw/zinc/95/36/03/820953603.db2.gz ANTAGVMGPYKMPK-GFCCVEGCSA-N 1 0 279.344 -0.329 20 30 CBEDRO N#Cc1ccc(OCC(=O)NCC[NH2+]CCO)cc1 ZINC001182916594 820955693 /nfs/dbraw/zinc/95/56/93/820955693.db2.gz DVFQLZJFTNIUIC-UHFFFAOYSA-N 1 0 263.297 -0.365 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001182992493 820958693 /nfs/dbraw/zinc/95/86/93/820958693.db2.gz RXJPKHNGDOTZMA-SNVBAGLBSA-N 1 0 275.374 -0.698 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001183032246 820967372 /nfs/dbraw/zinc/96/73/72/820967372.db2.gz CIGBARGYEYRDOD-NWDGAFQWSA-N 1 0 291.351 -0.262 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001183055261 820968926 /nfs/dbraw/zinc/96/89/26/820968926.db2.gz XXNRPABYASQDOL-GFCCVEGCSA-N 1 0 299.396 -0.764 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183059305 820969155 /nfs/dbraw/zinc/96/91/55/820969155.db2.gz BOTIKVOFPUARHW-SNVBAGLBSA-N 1 0 254.334 -0.318 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001183045192 820969284 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269.341 -0.387 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001251836244 825792511 /nfs/dbraw/zinc/79/25/11/825792511.db2.gz WVCPXQPUSLMHLK-JHJVBQTASA-N 1 0 257.330 -0.938 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001251843273 825793687 /nfs/dbraw/zinc/79/36/87/825793687.db2.gz ILXRVMVTDKDJKD-MJBXVCDLSA-N 1 0 296.367 -0.966 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCc2ncnc(OC)c2CC1 ZINC001251843860 825794098 /nfs/dbraw/zinc/79/40/98/825794098.db2.gz MWXPYFRONGJPLT-GFCCVEGCSA-N 1 0 291.351 -0.104 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC(n2cnnc2)CC1 ZINC001251851367 825794846 /nfs/dbraw/zinc/79/48/46/825794846.db2.gz JRMCFWUNIMWYGW-CYBMUJFWSA-N 1 0 264.329 -0.074 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC001251851283 825795141 /nfs/dbraw/zinc/79/51/41/825795141.db2.gz IDVYHYNCZXRGMR-RYUDHWBXSA-N 1 0 255.314 -0.118 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC(O)=C(C(=O)OCC)CC1 ZINC001251848238 825795905 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C#CCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001251893457 825803989 /nfs/dbraw/zinc/80/39/89/825803989.db2.gz DZVFIONFOGUJPS-OLZOCXBDSA-N 1 0 283.372 -0.267 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CC1CC(C(=O)OC)C1 ZINC001251894621 825804013 /nfs/dbraw/zinc/80/40/13/825804013.db2.gz YFEXZJCICUHBMV-MCIGGMRASA-N 1 0 255.314 -0.214 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCOc1ccccc1C(N)=O ZINC001251893398 825804533 /nfs/dbraw/zinc/80/45/33/825804533.db2.gz CTQPLVOWZJZXNX-GFCCVEGCSA-N 1 0 292.335 -0.235 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001251900211 825805118 /nfs/dbraw/zinc/80/51/18/825805118.db2.gz LJWFBWLDYVSDFH-QWHCGFSZSA-N 1 0 254.330 -0.545 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1cncc(C(N)=O)c1 ZINC001251902992 825805222 /nfs/dbraw/zinc/80/52/22/825805222.db2.gz BYLQVVDBFXGKRD-LBPRGKRZSA-N 1 0 263.297 -0.719 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1C[C@H](C(=O)OCC)CC[C@@H]1O ZINC001251903188 825806000 /nfs/dbraw/zinc/80/60/00/825806000.db2.gz 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C=CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001252486110 825870728 /nfs/dbraw/zinc/87/07/28/825870728.db2.gz SWLFYZMLDZKGBD-ZDUSSCGKSA-N 1 0 257.378 -0.613 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC001252486126 825870978 /nfs/dbraw/zinc/87/09/78/825870978.db2.gz TVWITWUYORJMNI-NSHDSACASA-N 1 0 272.345 -0.578 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001252490503 825872355 /nfs/dbraw/zinc/87/23/55/825872355.db2.gz IRSSUWODDFWFGJ-MNOVXSKESA-N 1 0 278.374 -0.827 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001252488511 825872524 /nfs/dbraw/zinc/87/25/24/825872524.db2.gz OQCQIBZCKBMODV-SNVBAGLBSA-N 1 0 258.318 -0.826 20 30 CBEDRO CCCCOC[C@@H](O)C[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001252534368 825874633 /nfs/dbraw/zinc/87/46/33/825874633.db2.gz QYVCNKQVCVEVJG-DCAQKATOSA-N 1 0 260.334 -0.010 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001252549933 825874914 /nfs/dbraw/zinc/87/49/14/825874914.db2.gz 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CBEDRO CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001267678844 827196927 /nfs/dbraw/zinc/19/69/27/827196927.db2.gz KHJSOSXSPCBXMZ-NSHDSACASA-N 1 0 296.371 -0.653 20 30 CBEDRO COCC#CCN1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001267698777 827200440 /nfs/dbraw/zinc/20/04/40/827200440.db2.gz HFWCBFUWXRAKPY-UHFFFAOYSA-N 1 0 279.384 -0.220 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](COC)OC ZINC001267711828 827203211 /nfs/dbraw/zinc/20/32/11/827203211.db2.gz GBWQYVDYDQKKSP-RWMBFGLXSA-N 1 0 266.341 -0.044 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)C1 ZINC001267731453 827210355 /nfs/dbraw/zinc/21/03/55/827210355.db2.gz CXVSSIBFFCLUJU-LBPRGKRZSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CC[N@H+]1CC[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001267735856 827211569 /nfs/dbraw/zinc/21/15/69/827211569.db2.gz KETKCBCAQNPZBR-NSHDSACASA-N 1 0 261.329 -0.429 20 30 CBEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001267741466 827212374 /nfs/dbraw/zinc/21/23/74/827212374.db2.gz ZRTCFPLDILJZSD-LLVKDONJSA-N 1 0 266.345 -0.481 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CO[C@@H]2CCOC2)C1 ZINC001267762117 827217718 /nfs/dbraw/zinc/21/77/18/827217718.db2.gz DAGGVCCJAFQYSE-QWHCGFSZSA-N 1 0 266.341 -0.042 20 30 CBEDRO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CN(C)C(=O)COC)C1 ZINC001267764715 827218566 /nfs/dbraw/zinc/21/85/66/827218566.db2.gz YAJXFASWNRQIHA-CYBMUJFWSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)CN2C(=O)CNC2=O)C1 ZINC001267791462 827220154 /nfs/dbraw/zinc/22/01/54/827220154.db2.gz XWUWTIZPYHVZQQ-LLVKDONJSA-N 1 0 292.339 -0.906 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)C#N ZINC001267800461 827222186 /nfs/dbraw/zinc/22/21/86/827222186.db2.gz OEAOBDRWYYVNTA-QWRGUYRKSA-N 1 0 264.329 -0.620 20 30 CBEDRO CC[C@H](CNC(=O)c1cncnc1)[NH2+]CC(=O)NCC#N ZINC001267800659 827222404 /nfs/dbraw/zinc/22/24/04/827222404.db2.gz UUTCRQCXKQIZDI-LLVKDONJSA-N 1 0 290.327 -0.786 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cscn1 ZINC001267798729 827222742 /nfs/dbraw/zinc/22/27/42/827222742.db2.gz UPIKBVPQUORBGE-JTQLQIEISA-N 1 0 294.380 -0.010 20 30 CBEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)C1CS(=O)(=O)C1 ZINC001267808062 827224806 /nfs/dbraw/zinc/22/48/06/827224806.db2.gz JWGNYMUXWXPYMS-NSHDSACASA-N 1 0 272.370 -0.461 20 30 CBEDRO CC[C@@H](CNC(=O)Cc1cnoc1)[NH2+]CC(=O)NCC#N ZINC001267814881 827226372 /nfs/dbraw/zinc/22/63/72/827226372.db2.gz JGMNHIRDYSXTKV-NSHDSACASA-N 1 0 293.327 -0.659 20 30 CBEDRO CC[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)[NH2+]CC#CCOC ZINC001267822930 827226825 /nfs/dbraw/zinc/22/68/25/827226825.db2.gz XVYNWGXWAROTOA-OLZOCXBDSA-N 1 0 295.383 -0.211 20 30 CBEDRO CC[C@H](CNC(=O)Cc1c[nH]cn1)[NH2+]CC(=O)NCC#N ZINC001267821594 827227043 /nfs/dbraw/zinc/22/70/43/827227043.db2.gz PNXXWNTWEFYQKM-SNVBAGLBSA-N 1 0 292.343 -0.924 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)COCc1nncn1C ZINC001267826825 827227613 /nfs/dbraw/zinc/22/76/13/827227613.db2.gz MYTCCHSNJSOVLR-LLVKDONJSA-N 1 0 279.344 -0.551 20 30 CBEDRO CC#CC[NH2+]CC1(NC(=O)Cn2cnnn2)CCCC1 ZINC001267832044 827228871 /nfs/dbraw/zinc/22/88/71/827228871.db2.gz LENYQXTWEKJBKM-UHFFFAOYSA-N 1 0 276.344 -0.285 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)c2cn(C)c(=O)n2C)CCCC1 ZINC001267846427 827229102 /nfs/dbraw/zinc/22/91/02/827229102.db2.gz FUNZNVASEXKHOT-UHFFFAOYSA-N 1 0 290.367 -0.011 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001267923502 827232315 /nfs/dbraw/zinc/23/23/15/827232315.db2.gz XRZLQVHJAVGOFI-DCAQKATOSA-N 1 0 266.345 -0.091 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001267949768 827233303 /nfs/dbraw/zinc/23/33/03/827233303.db2.gz APGQYJDOHXCNSG-SNVBAGLBSA-N 1 0 250.306 -0.560 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1nc(C)n(C)c1=O ZINC001267971590 827234650 /nfs/dbraw/zinc/23/46/50/827234650.db2.gz YGIDEQCTSKBTDP-GFCCVEGCSA-N 1 0 291.355 -0.896 20 30 CBEDRO C=CCOCC(=O)N1CCC2(CC[N@@H+](CC(N)=O)C2)CC1 ZINC001267972328 827235479 /nfs/dbraw/zinc/23/54/79/827235479.db2.gz ATLDMHWNRGRRPT-UHFFFAOYSA-N 1 0 295.383 -0.011 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001267978157 827236090 /nfs/dbraw/zinc/23/60/90/827236090.db2.gz AJFPWZQIVRKPSX-GXFFZTMASA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccon1 ZINC001267980807 827236067 /nfs/dbraw/zinc/23/60/67/827236067.db2.gz DLKQXXUGBRTQLZ-QWRGUYRKSA-N 1 0 292.339 -0.232 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001267979215 827236198 /nfs/dbraw/zinc/23/61/98/827236198.db2.gz DJIIRDDDTKVQCO-OLZOCXBDSA-N 1 0 296.367 -0.069 20 30 CBEDRO C[C@@H](CNC(=O)CSCC#N)C[NH2+]Cc1nncn1C ZINC001267977819 827236291 /nfs/dbraw/zinc/23/62/91/827236291.db2.gz TZBLZABEHOETDO-SNVBAGLBSA-N 1 0 296.400 -0.086 20 30 CBEDRO C[C@@H](CNC(=O)c1cocn1)C[NH2+]CC(=O)NCC#N ZINC001267978252 827236363 /nfs/dbraw/zinc/23/63/63/827236363.db2.gz ADKDKBLBELWFDR-SECBINFHSA-N 1 0 279.300 -0.730 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC ZINC001267978158 827236872 /nfs/dbraw/zinc/23/68/72/827236872.db2.gz AJFPWZQIVRKPSX-MFKMUULPSA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCNC1=O ZINC001268248798 827272724 /nfs/dbraw/zinc/27/27/24/827272724.db2.gz KKUVHMMRGOXBAN-CYBMUJFWSA-N 1 0 251.330 -0.464 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001267988962 827237870 /nfs/dbraw/zinc/23/78/70/827237870.db2.gz CTLIRTISMNGJLR-MNOVXSKESA-N 1 0 296.371 -0.107 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001267987374 827238168 /nfs/dbraw/zinc/23/81/68/827238168.db2.gz UYVQNPLVVOUSFF-LLVKDONJSA-N 1 0 266.349 -0.019 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001267991163 827238866 /nfs/dbraw/zinc/23/88/66/827238866.db2.gz KROARNIFGXNKSN-GHMZBOCLSA-N 1 0 251.330 -0.512 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc2nnnn2c1 ZINC001267994165 827239171 /nfs/dbraw/zinc/23/91/71/827239171.db2.gz SHJWLWATWPCDNJ-SNVBAGLBSA-N 1 0 272.312 -0.287 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1n[nH]cc1F ZINC001268002565 827239947 /nfs/dbraw/zinc/23/99/47/827239947.db2.gz ZLJKKAUEAXWGOU-SECBINFHSA-N 1 0 297.334 -0.194 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001267998211 827240334 /nfs/dbraw/zinc/24/03/34/827240334.db2.gz IQOSPKHSKMPHOF-GHMZBOCLSA-N 1 0 253.346 -0.137 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1nnc[nH]1 ZINC001268010085 827240663 /nfs/dbraw/zinc/24/06/63/827240663.db2.gz ZKQBKYNIGYFINM-UWVGGRQHSA-N 1 0 294.359 -0.549 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001268006632 827241202 /nfs/dbraw/zinc/24/12/02/827241202.db2.gz GYSDGLCIOYDGAO-LLVKDONJSA-N 1 0 265.357 -0.122 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCO1 ZINC001268049662 827247270 /nfs/dbraw/zinc/24/72/70/827247270.db2.gz KKXUFVXVLLCLEI-QWRGUYRKSA-N 1 0 282.344 -0.758 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cnn(C)c1 ZINC001268047751 827247452 /nfs/dbraw/zinc/24/74/52/827247452.db2.gz 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ZINC001268090056 827255199 /nfs/dbraw/zinc/25/51/99/827255199.db2.gz QHCXIUIZEINWEI-NXEZZACHSA-N 1 0 295.343 -0.190 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268085564 827255502 /nfs/dbraw/zinc/25/55/02/827255502.db2.gz NHYGVIPMMPQXQM-UWVGGRQHSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1ccnc1 ZINC001268097720 827256271 /nfs/dbraw/zinc/25/62/71/827256271.db2.gz JANFCDOOBZUGTI-GFCCVEGCSA-N 1 0 291.355 -0.931 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccncn1 ZINC001268090091 827256325 /nfs/dbraw/zinc/25/63/25/827256325.db2.gz QPDOFGUNYGYKNF-NSHDSACASA-N 1 0 291.355 -0.171 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C(N)=O ZINC001268110321 827257808 /nfs/dbraw/zinc/25/78/08/827257808.db2.gz DWUFECONBCDWLA-QWRGUYRKSA-N 1 0 298.387 -0.717 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001268138049 827259482 /nfs/dbraw/zinc/25/94/82/827259482.db2.gz OZJUHCCDIAAIDO-RYUDHWBXSA-N 1 0 291.355 -0.105 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001268143396 827259505 /nfs/dbraw/zinc/25/95/05/827259505.db2.gz VCFWUHBVHQTKKA-VXGBXAGGSA-N 1 0 283.372 -0.109 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC001268214239 827261300 /nfs/dbraw/zinc/26/13/00/827261300.db2.gz VJIIEPDHMZAVEJ-QWRGUYRKSA-N 1 0 296.371 -0.109 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001268209103 827261653 /nfs/dbraw/zinc/26/16/53/827261653.db2.gz PXMJAJRSZJYFEE-WDEREUQCSA-N 1 0 269.345 -0.760 20 30 CBEDRO C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC001268214240 827261860 /nfs/dbraw/zinc/26/18/60/827261860.db2.gz VJIIEPDHMZAVEJ-WDEREUQCSA-N 1 0 296.371 -0.109 20 30 CBEDRO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001268220354 827263991 /nfs/dbraw/zinc/26/39/91/827263991.db2.gz PAHVNOLNTOPRFF-NEPJUHHUSA-N 1 0 265.357 -0.124 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001268234617 827265104 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C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC ZINC001268295839 827280082 /nfs/dbraw/zinc/28/00/82/827280082.db2.gz VSDIIEVVCCZOMD-NEPJUHHUSA-N 1 0 286.397 -0.071 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cccn1C ZINC001268299044 827281975 /nfs/dbraw/zinc/28/19/75/827281975.db2.gz KPYCMEKPFRXNCJ-LBPRGKRZSA-N 1 0 279.340 -0.645 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1nnc[nH]1 ZINC001268300198 827283577 /nfs/dbraw/zinc/28/35/77/827283577.db2.gz GUTQUCDQMMRXBS-JTQLQIEISA-N 1 0 267.333 -0.620 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1C ZINC001268299412 827283634 /nfs/dbraw/zinc/28/36/34/827283634.db2.gz CZYDQVJJQANGKZ-LLVKDONJSA-N 1 0 294.355 -0.694 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001268299831 827283674 /nfs/dbraw/zinc/28/36/74/827283674.db2.gz FTOQFOAQZWUVJA-NWDGAFQWSA-N 1 0 254.330 -0.497 20 30 CBEDRO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001268303501 827286612 /nfs/dbraw/zinc/28/66/12/827286612.db2.gz AQLLHDOLNUSTIK-DGCLKSJQSA-N 1 0 295.383 -0.619 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccncc1C ZINC001268303531 827287122 /nfs/dbraw/zinc/28/71/22/827287122.db2.gz AVFIIZHDXOSBEJ-ZDUSSCGKSA-N 1 0 291.351 -0.280 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnnn1C ZINC001268303261 827287274 /nfs/dbraw/zinc/28/72/74/827287274.db2.gz AOHZBLALYFUXGH-QWRGUYRKSA-N 1 0 281.360 -0.150 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)COC(C)(C)C ZINC001268303383 827287283 /nfs/dbraw/zinc/28/72/83/827287283.db2.gz DBLOFGHQJLAKQW-LLVKDONJSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC(=C)Cl ZINC001268304755 827288066 /nfs/dbraw/zinc/28/80/66/827288066.db2.gz NZPHKZJMYHUQFL-QWRGUYRKSA-N 1 0 274.748 -0.156 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001268307159 827290229 /nfs/dbraw/zinc/29/02/29/827290229.db2.gz DUKGZJBKUFSCQP-RYUDHWBXSA-N 1 0 271.336 -0.880 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001268308348 827290896 /nfs/dbraw/zinc/29/08/96/827290896.db2.gz LWBBEEJZQNSRBP-YPMHNXCESA-N 1 0 288.351 -0.719 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](OCC)C1CC1 ZINC001268308619 827291297 /nfs/dbraw/zinc/29/12/97/827291297.db2.gz QYMVSZHXAWJBNE-QWHCGFSZSA-N 1 0 268.357 -0.109 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001268309095 827291716 /nfs/dbraw/zinc/29/17/16/827291716.db2.gz SGHQBMWZDMGMHV-JTQLQIEISA-N 1 0 290.327 -0.391 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn2ncccc12 ZINC001268309390 827291723 /nfs/dbraw/zinc/29/17/23/827291723.db2.gz UWCWLVDMEPUUJT-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)c1C ZINC001268307807 827291867 /nfs/dbraw/zinc/29/18/67/827291867.db2.gz VVTRZYMMMXCWLS-CQSZACIVSA-N 1 0 292.383 -0.249 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(CCOC)n1 ZINC001268312653 827292559 /nfs/dbraw/zinc/29/25/59/827292559.db2.gz HHJJWRGIFCYRHG-GFCCVEGCSA-N 1 0 294.355 -0.767 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268311602 827292744 /nfs/dbraw/zinc/29/27/44/827292744.db2.gz LSEOXHULYJWMGV-QWRGUYRKSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001268312423 827293160 /nfs/dbraw/zinc/29/31/60/827293160.db2.gz FMBVMFWXFVNPKD-KBPBESRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001268313824 827293906 /nfs/dbraw/zinc/29/39/06/827293906.db2.gz SUPNNOOBSGDZCX-MRVPVSSYSA-N 1 0 272.736 -0.060 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268313812 827294196 /nfs/dbraw/zinc/29/41/96/827294196.db2.gz GDKTYKFAPNKKMG-FQIARQCESA-N 1 0 266.341 -0.338 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)nnn2C ZINC001268313394 827294523 /nfs/dbraw/zinc/29/45/23/827294523.db2.gz CTNRJMKUILXMKT-NSHDSACASA-N 1 0 289.339 -0.165 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001268316496 827295079 /nfs/dbraw/zinc/29/50/79/827295079.db2.gz UCXXORLXAGEEFF-LLVKDONJSA-N 1 0 294.355 -0.324 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C2CC2)cn1 ZINC001268315182 827296020 /nfs/dbraw/zinc/29/60/20/827296020.db2.gz MXXCXZRECFPTSR-CQSZACIVSA-N 1 0 290.367 -0.150 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001268316279 827296096 /nfs/dbraw/zinc/29/60/96/827296096.db2.gz GDLPCUUWHRKLMS-STQMWFEESA-N 1 0 297.399 -0.064 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001268315102 827296129 /nfs/dbraw/zinc/29/61/29/827296129.db2.gz MMNKBTMHGJAMGK-ZJUUUORDSA-N 1 0 278.374 -0.938 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001268318391 827296810 /nfs/dbraw/zinc/29/68/10/827296810.db2.gz PTXYBHHBQFLVAG-NSHDSACASA-N 1 0 277.324 -0.282 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c(n1)OCCO2 ZINC001268317455 827297038 /nfs/dbraw/zinc/29/70/38/827297038.db2.gz XYEJFSYHMOOHDC-JTQLQIEISA-N 1 0 293.323 -0.281 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(CC)cn1 ZINC001268319817 827298704 /nfs/dbraw/zinc/29/87/04/827298704.db2.gz AQLPBLRUJQMITK-CQSZACIVSA-N 1 0 275.352 -0.114 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001268322691 827299296 /nfs/dbraw/zinc/29/92/96/827299296.db2.gz ZCNIKOSKIKZWSY-WCQYABFASA-N 1 0 292.383 -0.222 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001268322450 827299828 /nfs/dbraw/zinc/29/98/28/827299828.db2.gz DXZWKUOPAUECPE-ZDUSSCGKSA-N 1 0 295.383 -0.665 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)oc1C ZINC001268325886 827300806 /nfs/dbraw/zinc/30/08/06/827300806.db2.gz HONVGANTRVRBDX-GFCCVEGCSA-N 1 0 295.339 -0.378 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001268325939 827300907 /nfs/dbraw/zinc/30/09/07/827300907.db2.gz BQYSCFSYADLIQU-VIFPVBQESA-N 1 0 253.306 -0.929 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)CCC1 ZINC001268325397 827301089 /nfs/dbraw/zinc/30/10/89/827301089.db2.gz ZGWBAIJNSKAPIE-NSHDSACASA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001268326094 827301195 /nfs/dbraw/zinc/30/11/95/827301195.db2.gz ISYPRRWLZSBRKH-LLVKDONJSA-N 1 0 264.329 -0.338 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC ZINC001268326627 827302961 /nfs/dbraw/zinc/30/29/61/827302961.db2.gz YGNDZODWASUWMB-VXGBXAGGSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001268328788 827302973 /nfs/dbraw/zinc/30/29/73/827302973.db2.gz PIBCCTUIMFJWDK-CYBMUJFWSA-N 1 0 297.399 -0.813 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001268327056 827303528 /nfs/dbraw/zinc/30/35/28/827303528.db2.gz PFLPMMQVQMVBRE-SECBINFHSA-N 1 0 253.306 -0.836 20 30 CBEDRO N#CCNC[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268329232 827304146 /nfs/dbraw/zinc/30/41/46/827304146.db2.gz RWZRLZRFUIWLID-AWEZNQCLSA-N 1 0 294.399 -0.301 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(OC)n1 ZINC001268329665 827304639 /nfs/dbraw/zinc/30/46/39/827304639.db2.gz WMDUUERTUSTEOY-LLVKDONJSA-N 1 0 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ZINC001277966930 828224547 /nfs/dbraw/zinc/22/45/47/828224547.db2.gz YCFMCLAFPHUYPS-LLVKDONJSA-N 1 0 277.328 -0.351 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001277973013 828224703 /nfs/dbraw/zinc/22/47/03/828224703.db2.gz LHBOVRRBTPICQN-GFCCVEGCSA-N 1 0 291.355 -0.422 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001277996134 828227691 /nfs/dbraw/zinc/22/76/91/828227691.db2.gz ZPVRFVHRAOROFQ-QWRGUYRKSA-N 1 0 296.371 -0.996 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CCc1cn(C)nn1 ZINC001278015575 828231959 /nfs/dbraw/zinc/23/19/59/828231959.db2.gz IYPXSFZNDASCNX-CYBMUJFWSA-N 1 0 275.356 -0.039 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C)o1 ZINC001278042120 828236166 /nfs/dbraw/zinc/23/61/66/828236166.db2.gz XUWQXZAHOHNQNS-GFCCVEGCSA-N 1 0 280.324 -0.082 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccsc1 ZINC001278041458 828236182 /nfs/dbraw/zinc/23/61/82/828236182.db2.gz NYUDSSJSMDBFPQ-JTQLQIEISA-N 1 0 296.352 -0.932 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(C)nn1C ZINC001278047269 828237017 /nfs/dbraw/zinc/23/70/17/828237017.db2.gz BLOQLMJGPVDGAE-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C#CCOCCC(=O)NC1(C)CC[NH+](CCO)CC1 ZINC001278052512 828237867 /nfs/dbraw/zinc/23/78/67/828237867.db2.gz XEOJVTXPOKRCGV-UHFFFAOYSA-N 1 0 268.357 -0.011 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccoc1 ZINC001278049310 828238013 /nfs/dbraw/zinc/23/80/13/828238013.db2.gz XMSIDDFVKDDRTG-CMPLNLGQSA-N 1 0 293.323 -0.902 20 30 CBEDRO CC[C@@H](OC)C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278052916 828238359 /nfs/dbraw/zinc/23/83/59/828238359.db2.gz AFXUXSBRSXATMO-VXGBXAGGSA-N 1 0 272.345 -0.872 20 30 CBEDRO CC[C@H](OC)C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278052914 828238371 /nfs/dbraw/zinc/23/83/71/828238371.db2.gz AFXUXSBRSXATMO-RYUDHWBXSA-N 1 0 272.345 -0.872 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccncc1F ZINC001278062155 828240357 /nfs/dbraw/zinc/24/03/57/828240357.db2.gz PZIBELGDHOLIIH-SNVBAGLBSA-N 1 0 265.288 -0.076 20 30 CBEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1ccnn1C ZINC001278070927 828240458 /nfs/dbraw/zinc/24/04/58/828240458.db2.gz LHFGNRYZLGLDLI-GFCCVEGCSA-N 1 0 278.356 -0.210 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001278071916 828241768 /nfs/dbraw/zinc/24/17/68/828241768.db2.gz RGZZGMGUUBMTCW-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@](C)(O)C1CC1 ZINC001278072943 828241989 /nfs/dbraw/zinc/24/19/89/828241989.db2.gz WQSQRZKMAFWLFM-JSGCOSHPSA-N 1 0 268.357 -0.373 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(F)cn1 ZINC001278072983 828242430 /nfs/dbraw/zinc/24/24/30/828242430.db2.gz XYZVPJLEZPHMRV-NSHDSACASA-N 1 0 265.288 -0.076 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001278077726 828242679 /nfs/dbraw/zinc/24/26/79/828242679.db2.gz NOFLRZXZXRXJPC-OLZOCXBDSA-N 1 0 295.383 -0.597 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC(=C)C ZINC001278077233 828242710 /nfs/dbraw/zinc/24/27/10/828242710.db2.gz HDTTWGXYFDETNW-NWDGAFQWSA-N 1 0 254.330 -0.333 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1cnc(C)o1 ZINC001278092786 828244836 /nfs/dbraw/zinc/24/48/36/828244836.db2.gz CGNXPVVRFYOFCT-LLVKDONJSA-N 1 0 265.313 -0.384 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cc1cnc(C)o1 ZINC001278092787 828244919 /nfs/dbraw/zinc/24/49/19/828244919.db2.gz CGNXPVVRFYOFCT-NSHDSACASA-N 1 0 265.313 -0.384 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001278094305 828244967 /nfs/dbraw/zinc/24/49/67/828244967.db2.gz VUUVXWHEMWGXMZ-OLZOCXBDSA-N 1 0 267.373 -0.441 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCc1ccnn1C ZINC001278093632 828245302 /nfs/dbraw/zinc/24/53/02/828245302.db2.gz OISSFIADUJJBOO-NSHDSACASA-N 1 0 264.329 -0.947 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001278094802 828245404 /nfs/dbraw/zinc/24/54/04/828245404.db2.gz ZSSILTJTIPCWPJ-ZDUSSCGKSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001278099240 828246025 /nfs/dbraw/zinc/24/60/25/828246025.db2.gz GZKCQXIATFXPPM-IUODEOHRSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001278104796 828247533 /nfs/dbraw/zinc/24/75/33/828247533.db2.gz AFDGQALEFYHPNM-ZJUUUORDSA-N 1 0 267.333 -0.160 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001278106002 828247706 /nfs/dbraw/zinc/24/77/06/828247706.db2.gz RASLWZFYKBPUMW-STQMWFEESA-N 1 0 267.373 -0.439 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(Cl)n(C)n1 ZINC001278113162 828249151 /nfs/dbraw/zinc/24/91/51/828249151.db2.gz SMEWYPKUYKVWNL-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001278113596 828249278 /nfs/dbraw/zinc/24/92/78/828249278.db2.gz YVEVTXWNJAUHJL-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001278106152 828249291 /nfs/dbraw/zinc/24/92/91/828249291.db2.gz VBLVVOZWFBEIFO-STQMWFEESA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001278106375 828249457 /nfs/dbraw/zinc/24/94/57/828249457.db2.gz XYYCWIXGYHLPTL-QWHCGFSZSA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001278106373 828249554 /nfs/dbraw/zinc/24/95/54/828249554.db2.gz XYYCWIXGYHLPTL-CHWSQXEVSA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(CC)nnc1C ZINC001278118838 828249972 /nfs/dbraw/zinc/24/99/72/828249972.db2.gz DKWRTYUZIGZOTM-GFCCVEGCSA-N 1 0 276.340 -0.339 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001278127571 828250274 /nfs/dbraw/zinc/25/02/74/828250274.db2.gz ASAUAPYGSJGBMN-VIFPVBQESA-N 1 0 253.306 -0.630 20 30 CBEDRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278119802 828250883 /nfs/dbraw/zinc/25/08/83/828250883.db2.gz PGMQQBRZQMOJRQ-MCIONIFRSA-N 1 0 298.383 -0.482 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)o1 ZINC001278171100 828254382 /nfs/dbraw/zinc/25/43/82/828254382.db2.gz BCYSWVJRTCRFLO-VIFPVBQESA-N 1 0 252.270 -0.398 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001278165690 828254465 /nfs/dbraw/zinc/25/44/65/828254465.db2.gz YZBZJWUBQNPIDT-STQMWFEESA-N 1 0 293.367 -0.913 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nc(C)oc1C ZINC001278171707 828255037 /nfs/dbraw/zinc/25/50/37/828255037.db2.gz KSDOFFMXRWQEMF-LLVKDONJSA-N 1 0 265.313 -0.005 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001278178582 828255639 /nfs/dbraw/zinc/25/56/39/828255639.db2.gz JFZUWKHWKWRQDT-JTQLQIEISA-N 1 0 278.312 -0.811 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001278178408 828255707 /nfs/dbraw/zinc/25/57/07/828255707.db2.gz GBJFAHOCJGTDOF-JTQLQIEISA-N 1 0 280.328 -0.630 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001278179747 828256649 /nfs/dbraw/zinc/25/66/49/828256649.db2.gz VCVSNDGEMXRGHC-ZDUSSCGKSA-N 1 0 299.334 -0.419 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1OC ZINC001278187459 828256667 /nfs/dbraw/zinc/25/66/67/828256667.db2.gz QQEFETIQXVEOBL-JTQLQIEISA-N 1 0 280.328 -0.868 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1cncn1C ZINC001278179706 828257032 /nfs/dbraw/zinc/25/70/32/828257032.db2.gz TXILBJFGNGYBEF-GFCCVEGCSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001278186902 828257111 /nfs/dbraw/zinc/25/71/11/828257111.db2.gz KPMXHZQEDCPTJT-NEPJUHHUSA-N 1 0 290.367 -0.221 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001278202432 828257830 /nfs/dbraw/zinc/25/78/30/828257830.db2.gz QRJIBGOMLTVPQS-SECBINFHSA-N 1 0 278.312 -0.953 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001278202921 828258911 /nfs/dbraw/zinc/25/89/11/828258911.db2.gz WYGBSEOTPLYEAY-IIEFLBBWSA-N 1 0 262.353 -0.022 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001278214374 828259181 /nfs/dbraw/zinc/25/91/81/828259181.db2.gz SLZKMSRFANCWGR-PWSUYJOCSA-N 1 0 264.329 -0.777 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001278212101 828259516 /nfs/dbraw/zinc/25/95/16/828259516.db2.gz HYSGBCQQGJABDS-ZWNOBZJWSA-N 1 0 292.383 -0.160 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCCC1 ZINC001278211299 828259735 /nfs/dbraw/zinc/25/97/35/828259735.db2.gz FAHOBYZZGUZISY-NSHDSACASA-N 1 0 283.372 -0.325 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001278214388 828259892 /nfs/dbraw/zinc/25/98/92/828259892.db2.gz SQZYNFGXOKOBNO-SWLSCSKDSA-N 1 0 295.383 -0.475 20 30 CBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C#CC1CC1 ZINC001278250590 828261064 /nfs/dbraw/zinc/26/10/64/828261064.db2.gz JEZSZWYXCLGMTE-DGCLKSJQSA-N 1 0 288.351 -0.381 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001278265614 828262127 /nfs/dbraw/zinc/26/21/27/828262127.db2.gz YJFXFZNQCVIYLV-VHSXEESVSA-N 1 0 252.318 -0.872 20 30 CBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278355354 828265469 /nfs/dbraw/zinc/26/54/69/828265469.db2.gz 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264.329 -0.825 20 30 CBEDRO C=CCC[NH2+]CC1CC(NC(=O)CN2CCNC(=O)C2)C1 ZINC001328898443 885844694 /nfs/dbraw/zinc/84/46/94/885844694.db2.gz WDTRGVPYIJCOFY-UHFFFAOYSA-N 1 0 294.399 -0.521 20 30 CBEDRO CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001328940132 885852595 /nfs/dbraw/zinc/85/25/95/885852595.db2.gz DUCKNUIHDQLYRQ-MCIGGMRASA-N 1 0 263.341 -0.227 20 30 CBEDRO C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)c1cn[nH]c1 ZINC001328989448 885871784 /nfs/dbraw/zinc/87/17/84/885871784.db2.gz MTGGOOYAVATLSG-BDAKNGLRSA-N 1 0 278.316 -0.854 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001329044015 885896626 /nfs/dbraw/zinc/89/66/26/885896626.db2.gz DXJRDEVHCPQXCA-VHSXEESVSA-N 1 0 254.334 -0.579 20 30 CBEDRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCC#N)C[NH2+]1 ZINC001329013518 885882172 /nfs/dbraw/zinc/88/21/72/885882172.db2.gz GILXXLZUTQEEKS-ZJUUUORDSA-N 1 0 252.318 -0.337 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001329040342 885893810 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C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC001331506607 886826222 /nfs/dbraw/zinc/82/62/22/886826222.db2.gz SUZJAYUQWMRMSL-IEBDPFPHSA-N 1 0 278.312 -0.064 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001331528330 886833136 /nfs/dbraw/zinc/83/31/36/886833136.db2.gz CTSSYKCPLBOBOJ-FZMZJTMJSA-N 1 0 299.346 -0.699 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001331532289 886834933 /nfs/dbraw/zinc/83/49/33/886834933.db2.gz HKOAGTMHGHPPQQ-MNOVXSKESA-N 1 0 266.345 -0.530 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001331532287 886836066 /nfs/dbraw/zinc/83/60/66/886836066.db2.gz HKOAGTMHGHPPQQ-GHMZBOCLSA-N 1 0 266.345 -0.530 20 30 CBEDRO N#CCC1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001331551398 886840789 /nfs/dbraw/zinc/84/07/89/886840789.db2.gz SPGYBVHQQKOQPA-PHIMTYICSA-N 1 0 276.340 -0.241 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001331581490 886856577 /nfs/dbraw/zinc/85/65/77/886856577.db2.gz CPPGAXBEOKZWFE-VIFPVBQESA-N 1 0 257.359 -0.725 20 30 CBEDRO Cc1cnoc1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331600173 886863133 /nfs/dbraw/zinc/86/31/33/886863133.db2.gz PERFORAHSVLEGY-JTQLQIEISA-N 1 0 293.327 -0.327 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC001331614644 886864942 /nfs/dbraw/zinc/86/49/42/886864942.db2.gz KTCBQQHSVLIPQQ-NEPJUHHUSA-N 1 0 293.367 -0.554 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331617831 886868212 /nfs/dbraw/zinc/86/82/12/886868212.db2.gz NJNDLMCQJQOXLN-SWLSCSKDSA-N 1 0 295.383 -0.237 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001331631956 886872185 /nfs/dbraw/zinc/87/21/85/886872185.db2.gz VAOUVQGFJUKLIT-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)NCC#N ZINC001331633812 886874582 /nfs/dbraw/zinc/87/45/82/886874582.db2.gz YCVXLPWSTPRATM-QWHCGFSZSA-N 1 0 282.388 -0.085 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001331644563 886879526 /nfs/dbraw/zinc/87/95/26/886879526.db2.gz ONKGVWDVUHZLDP-WDEREUQCSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC001331667573 886892957 /nfs/dbraw/zinc/89/29/57/886892957.db2.gz UVVMQQJVGITSRE-LBPRGKRZSA-N 1 0 266.341 -0.402 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CC(C)C ZINC001331668753 886895126 /nfs/dbraw/zinc/89/51/26/886895126.db2.gz SYFZNHIGFDTYFG-LBPRGKRZSA-N 1 0 256.346 -0.251 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CC(C)C ZINC001331668732 886895910 /nfs/dbraw/zinc/89/59/10/886895910.db2.gz SYFZNHIGFDTYFG-GFCCVEGCSA-N 1 0 256.346 -0.251 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnccn1 ZINC001331667245 886895935 /nfs/dbraw/zinc/89/59/35/886895935.db2.gz QNYBAHJOTFMLQW-SNVBAGLBSA-N 1 0 250.302 -0.267 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)n1cccn1 ZINC001331683998 886903637 /nfs/dbraw/zinc/90/36/37/886903637.db2.gz NCPLTGYIXMVXBW-QWRGUYRKSA-N 1 0 250.302 -0.856 20 30 CBEDRO C=CCCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001331686677 886909100 /nfs/dbraw/zinc/90/91/00/886909100.db2.gz XSVXLJAKLBGANR-RYUDHWBXSA-N 1 0 293.371 -0.202 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001331699232 886917687 /nfs/dbraw/zinc/91/76/87/886917687.db2.gz ZLHNRWCTVIRHSW-GHMZBOCLSA-N 1 0 268.313 -0.970 20 30 CBEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001331709535 886926890 /nfs/dbraw/zinc/92/68/90/886926890.db2.gz YCBXCQWELOXJJZ-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO CCN(CC[NH3+])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001331721902 886935661 /nfs/dbraw/zinc/93/56/61/886935661.db2.gz RHSODILMZXFXCE-VAWYXSNFSA-N 1 0 295.343 -0.497 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1(COC)CCOCC1 ZINC001331726474 886940157 /nfs/dbraw/zinc/94/01/57/886940157.db2.gz SVIYBZFBVGCQBJ-ZDUSSCGKSA-N 1 0 298.383 -0.480 20 30 CBEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331732289 886943940 /nfs/dbraw/zinc/94/39/40/886943940.db2.gz WHOYOUAYEBHCOX-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001331741163 886948504 /nfs/dbraw/zinc/94/85/04/886948504.db2.gz SPZAWBNKAQQULY-WDEREUQCSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1csc(NC(C)=O)n1 ZINC001331740038 886948570 /nfs/dbraw/zinc/94/85/70/886948570.db2.gz OBJUSUWTLPCDTC-VIFPVBQESA-N 1 0 298.368 -0.032 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001331741516 886949537 /nfs/dbraw/zinc/94/95/37/886949537.db2.gz VIBHLJFNLLUVBS-CHWSQXEVSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001331756416 886957634 /nfs/dbraw/zinc/95/76/34/886957634.db2.gz IGPUCVLXSHZCNX-NEPJUHHUSA-N 1 0 282.344 -0.640 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(CCC)n[nH]1 ZINC001331755520 886958071 /nfs/dbraw/zinc/95/80/71/886958071.db2.gz DABKOQODUOFOQR-NSHDSACASA-N 1 0 264.329 -0.324 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001331756033 886959987 /nfs/dbraw/zinc/95/99/87/886959987.db2.gz HGFFXFWCSDJYAB-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001331769580 886967912 /nfs/dbraw/zinc/96/79/12/886967912.db2.gz CNCOHWOWRCGGQQ-DGAVXFQQSA-N 1 0 280.368 -0.251 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001331773240 886970600 /nfs/dbraw/zinc/97/06/00/886970600.db2.gz DCOSSEZQDDOJSR-JTQLQIEISA-N 1 0 280.328 -0.584 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001331787435 886980620 /nfs/dbraw/zinc/98/06/20/886980620.db2.gz JDAWJLMSYGFYIP-QMMMGPOBSA-N 1 0 256.281 -0.195 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001331789989 886980818 /nfs/dbraw/zinc/98/08/18/886980818.db2.gz LXZPBBJGWPKZJD-HZSPNIEDSA-N 1 0 273.336 -0.115 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1cccnc1C ZINC001331788302 886983162 /nfs/dbraw/zinc/98/31/62/886983162.db2.gz SCPBYTJKKYETBI-ZDUSSCGKSA-N 1 0 261.325 -0.368 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCc1cnn(C)n1 ZINC001331787968 886983424 /nfs/dbraw/zinc/98/34/24/886983424.db2.gz NTGUJSGXOZKGFH-LLVKDONJSA-N 1 0 267.333 -1.000 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001331803260 886987492 /nfs/dbraw/zinc/98/74/92/886987492.db2.gz GLTKEYNUCOVLAH-AGIUHOORSA-N 1 0 286.372 -0.583 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccc2nncn2c1 ZINC001331803661 886988782 /nfs/dbraw/zinc/98/87/82/886988782.db2.gz IFDUQESRLMDUSM-GFCCVEGCSA-N 1 0 289.339 -0.014 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](CO)[NH2+]CCO)CCOCC1 ZINC001331819012 886997070 /nfs/dbraw/zinc/99/70/70/886997070.db2.gz KIALFWHTMWZNJE-GFCCVEGCSA-N 1 0 286.372 -0.582 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001331818492 886998275 /nfs/dbraw/zinc/99/82/75/886998275.db2.gz HBWNPADLXFDNNU-JTQLQIEISA-N 1 0 277.328 -0.081 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nccn2cc(C)nc12 ZINC001331823289 886998813 /nfs/dbraw/zinc/99/88/13/886998813.db2.gz DUYMPRUSIVFPQV-NSHDSACASA-N 1 0 287.323 -0.649 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c2c(nn1C)CCC2 ZINC001331826173 887000863 /nfs/dbraw/zinc/00/08/63/887000863.db2.gz SIXRFXVOYKVLFF-SNVBAGLBSA-N 1 0 276.340 -0.778 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001331824954 887002071 /nfs/dbraw/zinc/00/20/71/887002071.db2.gz KQKGAKRMSWDZCM-DGCLKSJQSA-N 1 0 290.367 -0.395 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001331839085 887008390 /nfs/dbraw/zinc/00/83/90/887008390.db2.gz AZDUMHVBIFNRLF-SNVBAGLBSA-N 1 0 278.312 -0.953 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001331849504 887013322 /nfs/dbraw/zinc/01/33/22/887013322.db2.gz CARRHTZNRVKESO-NEPJUHHUSA-N 1 0 294.359 -0.545 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)[C@@H]1C ZINC001331860386 887015110 /nfs/dbraw/zinc/01/51/10/887015110.db2.gz NLRWSYLMDOBNTR-ZYHUDNBSSA-N 1 0 251.330 -0.323 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@H]1C ZINC001331897756 887035351 /nfs/dbraw/zinc/03/53/51/887035351.db2.gz SAXBAGYEXMMHLK-WDEREUQCSA-N 1 0 289.401 -0.309 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001331941636 887055399 /nfs/dbraw/zinc/05/53/99/887055399.db2.gz WUFRJIWREOSPCB-OLZOCXBDSA-N 1 0 291.355 -0.493 20 30 CBEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001331957473 887060934 /nfs/dbraw/zinc/06/09/34/887060934.db2.gz KZZZUJSZFOKQRT-CMPLNLGQSA-N 1 0 293.371 -0.961 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC001331966589 887067779 /nfs/dbraw/zinc/06/77/79/887067779.db2.gz XGVGTMYWLYKETA-LBPRGKRZSA-N 1 0 261.325 -0.579 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001331971562 887071478 /nfs/dbraw/zinc/07/14/78/887071478.db2.gz PPXFQJRUTDOJGB-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975194 887072240 /nfs/dbraw/zinc/07/22/40/887072240.db2.gz GTDXXTGUICTJFV-VXGBXAGGSA-N 1 0 265.357 -0.029 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC001331970226 887072898 /nfs/dbraw/zinc/07/28/98/887072898.db2.gz HWMALULNNAIOFY-GFCCVEGCSA-N 1 0 258.281 -0.179 20 30 CBEDRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC001331980182 887075650 /nfs/dbraw/zinc/07/56/50/887075650.db2.gz FZXDGVCHCCCBRW-NSHDSACASA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001331992709 887077822 /nfs/dbraw/zinc/07/78/22/887077822.db2.gz BYFLWUJODIYTRW-NXEZZACHSA-N 1 0 252.318 -0.872 20 30 CBEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 ZINC001332001867 887082026 /nfs/dbraw/zinc/08/20/26/887082026.db2.gz YFZMVDGAJSGVCQ-QWRGUYRKSA-N 1 0 264.329 -0.431 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC001332000959 887081821 /nfs/dbraw/zinc/08/18/21/887081821.db2.gz OXFVHIGGGIRNKU-GHMZBOCLSA-N 1 0 264.329 -0.431 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001332016237 887084673 /nfs/dbraw/zinc/08/46/73/887084673.db2.gz RYCDMAZNMYYHBF-UWVGGRQHSA-N 1 0 262.317 -0.574 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001332016238 887085301 /nfs/dbraw/zinc/08/53/01/887085301.db2.gz RYCDMAZNMYYHBF-VHSXEESVSA-N 1 0 262.317 -0.574 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001332028713 887086511 /nfs/dbraw/zinc/08/65/11/887086511.db2.gz CRJZMMWCESLYRJ-NEPJUHHUSA-N 1 0 276.344 -0.335 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(F)F)C1 ZINC001332221933 887159660 /nfs/dbraw/zinc/15/96/60/887159660.db2.gz QBPZJMSUOTWHTD-ZJUUUORDSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)COCC)C1 ZINC001332234596 887164342 /nfs/dbraw/zinc/16/43/42/887164342.db2.gz DIRFYCGWERJVDV-STQMWFEESA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001332279694 887181292 /nfs/dbraw/zinc/18/12/92/887181292.db2.gz IPEJBHKINBVJSO-VXGBXAGGSA-N 1 0 293.371 -0.358 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC001332288364 887185985 /nfs/dbraw/zinc/18/59/85/887185985.db2.gz PGESLNZMIKTWFJ-BJDJZHNGSA-N 1 0 279.340 -0.863 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001332290090 887186929 /nfs/dbraw/zinc/18/69/29/887186929.db2.gz ZJOLKLZHOUECCR-NSHDSACASA-N 1 0 267.329 -0.908 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC001332288366 887187458 /nfs/dbraw/zinc/18/74/58/887187458.db2.gz PGESLNZMIKTWFJ-DDHJBXDOSA-N 1 0 279.340 -0.863 20 30 CBEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)C2 ZINC001332302869 887191771 /nfs/dbraw/zinc/19/17/71/887191771.db2.gz BLOKSGIOLURIBU-UUIJZJDISA-N 1 0 290.367 -0.137 20 30 CBEDRO C[N@H+](CCO)CCNC(=O)C1(C#N)CCOCC1 ZINC001332309038 887194428 /nfs/dbraw/zinc/19/44/28/887194428.db2.gz LIRCEKQSQOFYQE-UHFFFAOYSA-N 1 0 255.318 -0.653 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001332307043 887194625 /nfs/dbraw/zinc/19/46/25/887194625.db2.gz FMALIWKAXMTZRR-RYUDHWBXSA-N 1 0 291.355 -0.057 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001332343080 887215921 /nfs/dbraw/zinc/21/59/21/887215921.db2.gz XNJKUXBUQLKPIV-GHMZBOCLSA-N 1 0 287.385 -0.957 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC001332376111 887239284 /nfs/dbraw/zinc/23/92/84/887239284.db2.gz HAKFFXPJDGVTAP-LBPRGKRZSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001332414205 887267856 /nfs/dbraw/zinc/26/78/56/887267856.db2.gz VLDVCAPKGPLWAV-JTQLQIEISA-N 1 0 269.345 -0.499 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CN(C(=O)C(N)=O)CC1(C)C ZINC001332414206 887268782 /nfs/dbraw/zinc/26/87/82/887268782.db2.gz VLDVCAPKGPLWAV-SNVBAGLBSA-N 1 0 269.345 -0.499 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC001332447213 887284175 /nfs/dbraw/zinc/28/41/75/887284175.db2.gz SIWLWGOBLXTZPK-VXGBXAGGSA-N 1 0 278.356 -0.054 20 30 CBEDRO C=CCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001332452574 887287481 /nfs/dbraw/zinc/28/74/81/887287481.db2.gz IDOLPAKFXNYNMK-LLVKDONJSA-N 1 0 283.372 -0.109 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001332461398 887295660 /nfs/dbraw/zinc/29/56/60/887295660.db2.gz YNDGMLQSJMWVPE-RKDXNWHRSA-N 1 0 291.273 -0.279 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001332472248 887302409 /nfs/dbraw/zinc/30/24/09/887302409.db2.gz PHAGDPYVHDOKHS-NSHDSACASA-N 1 0 257.334 -0.893 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001332488863 887315982 /nfs/dbraw/zinc/31/59/82/887315982.db2.gz FXXQIOQZOOULPS-MRVPVSSYSA-N 1 0 256.331 -0.253 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001332504099 887325182 /nfs/dbraw/zinc/32/51/82/887325182.db2.gz KHIRSOSJQIABGG-SNVBAGLBSA-N 1 0 281.360 -0.399 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001332503721 887327571 /nfs/dbraw/zinc/32/75/71/887327571.db2.gz KLFSQKGAGJPJHF-OLZOCXBDSA-N 1 0 297.399 -0.469 20 30 CBEDRO COCC[NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C ZINC001332504354 887327735 /nfs/dbraw/zinc/32/77/35/887327735.db2.gz PTTUJYXQELDBNR-GFCCVEGCSA-N 1 0 256.346 -0.299 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001332506580 887330399 /nfs/dbraw/zinc/33/03/99/887330399.db2.gz XWEFUEFJMDFBFP-VXGBXAGGSA-N 1 0 281.356 -0.913 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@](C)(O)C1CC1 ZINC001332506047 887330430 /nfs/dbraw/zinc/33/04/30/887330430.db2.gz VGNKLQSKESMYLJ-HIFRSBDPSA-N 1 0 282.384 -0.030 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001332529210 887338615 /nfs/dbraw/zinc/33/86/15/887338615.db2.gz NSYWXVZEWKIXJI-CHWSQXEVSA-N 1 0 295.383 -0.713 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001332529213 887339548 /nfs/dbraw/zinc/33/95/48/887339548.db2.gz NSYWXVZEWKIXJI-STQMWFEESA-N 1 0 295.383 -0.713 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)NC(C)=O 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20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)on1 ZINC001332616977 887377185 /nfs/dbraw/zinc/37/71/85/887377185.db2.gz QFZAZHDHZUMYNC-NSHDSACASA-N 1 0 265.313 -0.019 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001332615920 887377871 /nfs/dbraw/zinc/37/78/71/887377871.db2.gz HOGDUCQDMFIEOU-NSHDSACASA-N 1 0 264.329 -0.236 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001332615504 887378214 /nfs/dbraw/zinc/37/82/14/887378214.db2.gz CVTGOWDUBNBDTQ-OLZOCXBDSA-N 1 0 268.357 -0.060 20 30 CBEDRO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001332621393 887382172 /nfs/dbraw/zinc/38/21/72/887382172.db2.gz UONYNZXRJAHKOG-RYUDHWBXSA-N 1 0 256.346 -0.204 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001332632712 887384657 /nfs/dbraw/zinc/38/46/57/887384657.db2.gz OUGALKHBTOUBMB-STQMWFEESA-N 1 0 297.399 -0.208 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001332646090 887390635 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C=C(C)C[N@@H+](CCNC(=O)[C@H]1CNC(=O)N1)CCOC ZINC001332923582 887479326 /nfs/dbraw/zinc/47/93/26/887479326.db2.gz VXNHMAXZSCRXPA-LLVKDONJSA-N 1 0 284.360 -0.692 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC([C@H](C)NC(=O)COC)CC1 ZINC001332972669 887490994 /nfs/dbraw/zinc/49/09/94/887490994.db2.gz PQWMDOLMMGJOEU-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO N#Cc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCO2)cn1 ZINC001332977014 887493345 /nfs/dbraw/zinc/49/33/45/887493345.db2.gz VJYQNXKQUANBKE-LBPRGKRZSA-N 1 0 260.297 -0.400 20 30 CBEDRO C#CC1(O)CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001332980338 887495756 /nfs/dbraw/zinc/49/57/56/887495756.db2.gz MRQOTOYAPLPYQN-UHFFFAOYSA-N 1 0 277.328 -0.344 20 30 CBEDRO C#C[C@@H]1CCCN(C(=O)C(=O)NCCn2ccnc2)C1 ZINC001332983382 887496356 /nfs/dbraw/zinc/49/63/56/887496356.db2.gz FLYLLGGQRWDQQN-GFCCVEGCSA-N 1 0 274.324 -0.129 20 30 CBEDRO C#CCn1ccc(CN(CCOC)C[C@@H](O)[C@H](C)O)n1 ZINC001333017654 887500383 /nfs/dbraw/zinc/50/03/83/887500383.db2.gz PEGRJHXLJWUAOO-GXTWGEPZSA-N 1 0 281.356 -0.294 20 30 CBEDRO CO[C@H](C)CC(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001333043280 887510908 /nfs/dbraw/zinc/51/09/08/887510908.db2.gz SFIUHMYHWIXZMS-VOMCLLRMSA-N 1 0 296.371 -0.370 20 30 CBEDRO COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001333102496 887529025 /nfs/dbraw/zinc/52/90/25/887529025.db2.gz HOBFPWSVVRKYNU-WXRRBKDZSA-N 1 0 293.367 -0.649 20 30 CBEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 ZINC001333169670 887548754 /nfs/dbraw/zinc/54/87/54/887548754.db2.gz LOKHEMYGSTUCFO-VXGBXAGGSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001333169373 887549246 /nfs/dbraw/zinc/54/92/46/887549246.db2.gz LEOMZWHYLAHBLS-NEPJUHHUSA-N 1 0 278.356 -0.041 20 30 CBEDRO C=CCN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H](C)COC ZINC001333170370 887550056 /nfs/dbraw/zinc/55/00/56/887550056.db2.gz NLJCWKNJTPOHIN-RYUDHWBXSA-N 1 0 283.372 -0.014 20 30 CBEDRO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001333171740 887550345 /nfs/dbraw/zinc/55/03/45/887550345.db2.gz UOJFRISGXDALIP-NWDGAFQWSA-N 1 0 294.355 -0.662 20 30 CBEDRO C[C@@H](C(=O)N(C)CCC#N)N1CCN(C)[C@@H](CO)C1 ZINC001333183822 887556548 /nfs/dbraw/zinc/55/65/48/887556548.db2.gz OCLBHHBBTRWEGN-NWDGAFQWSA-N 1 0 268.361 -0.645 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)c1cnn(CC)n1 ZINC001333218051 887565302 /nfs/dbraw/zinc/56/53/02/887565302.db2.gz OKUGFKHYCSMTJN-UHFFFAOYSA-N 1 0 293.371 -0.001 20 30 CBEDRO C[C@@H]([NH2+]CCOCCN(C)C(=O)C#CC(C)(C)C)C(N)=O ZINC001333219074 887565490 /nfs/dbraw/zinc/56/54/90/887565490.db2.gz SSKXBYBUXKCRGK-GFCCVEGCSA-N 1 0 297.399 -0.026 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001333232324 887566792 /nfs/dbraw/zinc/56/67/92/887566792.db2.gz OSKQTZRCRSPJAL-UHFFFAOYSA-N 1 0 292.339 -0.116 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001333231371 887567676 /nfs/dbraw/zinc/56/76/76/887567676.db2.gz IQLIVPXPDCTLAL-UHFFFAOYSA-N 1 0 278.312 -0.506 20 30 CBEDRO C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001333230533 887567860 /nfs/dbraw/zinc/56/78/60/887567860.db2.gz BMGOVHUJLNCWKJ-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO CN(CCOCCNCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001333243938 887568995 /nfs/dbraw/zinc/56/89/95/887568995.db2.gz CVOLLTXFISMDND-GFCCVEGCSA-N 1 0 268.361 -0.331 20 30 CBEDRO C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001333245309 887570046 /nfs/dbraw/zinc/57/00/46/887570046.db2.gz LRDFGYFICXCMAG-LBPRGKRZSA-N 1 0 296.371 -0.902 20 30 CBEDRO C[C@H](C#N)OCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001333365199 887609801 /nfs/dbraw/zinc/60/98/01/887609801.db2.gz IFQZUFJNOCUJOZ-MNOVXSKESA-N 1 0 267.329 -0.200 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001333360751 887610086 /nfs/dbraw/zinc/61/00/86/887610086.db2.gz LOZRLPVQWSYIOZ-NXEZZACHSA-N 1 0 255.318 -0.747 20 30 CBEDRO CCNC(NCc1nnc2c(=O)[nH]ccn12)=[NH+]CC ZINC001333476960 887653777 /nfs/dbraw/zinc/65/37/77/887653777.db2.gz DXHMPHULSGXLRG-UHFFFAOYSA-N 1 0 263.305 -0.507 20 30 CBEDRO C=CCN1CC[C@@H](n2cc(COCC[NH3+])nn2)C1=O ZINC001333536356 887682505 /nfs/dbraw/zinc/68/25/05/887682505.db2.gz JLFRRLKXTVAPHN-LLVKDONJSA-N 1 0 265.317 -0.287 20 30 CBEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001333626188 887724199 /nfs/dbraw/zinc/72/41/99/887724199.db2.gz QBRBQBLKWUGDQH-SDDRHHMPSA-N 1 0 283.372 -0.063 20 30 CBEDRO CC(=O)NCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC001333629454 887725279 /nfs/dbraw/zinc/72/52/79/887725279.db2.gz JQFUGZDGZIBCJE-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO NC(=O)N1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001333634994 887730422 /nfs/dbraw/zinc/73/04/22/887730422.db2.gz CZSXBBFGLGRCAF-UHFFFAOYSA-N 1 0 278.356 -0.398 20 30 CBEDRO N#CCNC(=O)CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001333835769 887784972 /nfs/dbraw/zinc/78/49/72/887784972.db2.gz WYGDBZAGZZBRIX-UHFFFAOYSA-N 1 0 293.371 -0.058 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC001333859865 887792095 /nfs/dbraw/zinc/79/20/95/887792095.db2.gz YJHSOCKPVYLYAI-LLVKDONJSA-N 1 0 286.339 -0.075 20 30 CBEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001334054123 887858668 /nfs/dbraw/zinc/85/86/68/887858668.db2.gz FMWACXQOYGYVFC-JTQLQIEISA-N 1 0 252.318 -0.444 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001334055465 887859576 /nfs/dbraw/zinc/85/95/76/887859576.db2.gz NJHBCRZFCZLURN-TUAOUCFPSA-N 1 0 276.340 -0.431 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC001334385591 887945416 /nfs/dbraw/zinc/94/54/16/887945416.db2.gz CTBVLZWMULZWMM-GRYCIOLGSA-N 1 0 281.356 -0.405 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)Cn2cnc(C#N)n2)CC1 ZINC001334440037 888234363 /nfs/dbraw/zinc/23/43/63/888234363.db2.gz XNXSDAVBRNDRHA-UHFFFAOYSA-N 1 0 272.312 -0.636 20 30 CBEDRO C[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC1 ZINC001334757605 888312644 /nfs/dbraw/zinc/31/26/44/888312644.db2.gz PJJJVNWZAXQYLY-CQSZACIVSA-N 1 0 294.355 -0.662 20 30 CBEDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 ZINC001334828448 888339347 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ZINC001482464307 917148016 /nfs/dbraw/zinc/14/80/16/917148016.db2.gz RCHAUOMMZWEOEK-AAEUAGOBSA-N 1 0 265.357 -0.028 20 30 CBEDRO CNC(=O)C[NH2+][C@H](CNC(=O)c1cc(C#N)c[nH]1)C(C)C ZINC001482521240 917152926 /nfs/dbraw/zinc/15/29/26/917152926.db2.gz VUDGZTWXIKOPMX-GFCCVEGCSA-N 1 0 291.355 -0.024 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cocn1)C(C)C ZINC001482521144 917153542 /nfs/dbraw/zinc/15/35/42/917153542.db2.gz DQKWULCGEPBPOV-LLVKDONJSA-N 1 0 292.339 -0.232 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC001482535660 917153790 /nfs/dbraw/zinc/15/37/90/917153790.db2.gz CEIGPTNVHBMIOJ-QWRGUYRKSA-N 1 0 294.355 -0.662 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)Cn1cnnn1 ZINC001482578105 917162021 /nfs/dbraw/zinc/16/20/21/917162021.db2.gz JUKRNFIJYUPVDH-UHFFFAOYSA-N 1 0 252.322 -0.361 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001482611025 917180030 /nfs/dbraw/zinc/18/00/30/917180030.db2.gz NSTPMTKKKGWSRH-GFCCVEGCSA-N 1 0 280.372 -0.200 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001482676013 917200406 /nfs/dbraw/zinc/20/04/06/917200406.db2.gz ILSDKPAQPANPGI-YPMHNXCESA-N 1 0 298.408 -0.071 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(C)=O ZINC001482666380 917202879 /nfs/dbraw/zinc/20/28/79/917202879.db2.gz KKBMQKVIRXOWHH-RYUDHWBXSA-N 1 0 296.371 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1C ZINC001482711049 917213297 /nfs/dbraw/zinc/21/32/97/917213297.db2.gz JSMLBTZQXWCPGU-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)/C(C)=C/CC ZINC001482711127 917213413 /nfs/dbraw/zinc/21/34/13/917213413.db2.gz CKGPMUYJPCJGRQ-BCMYLCSRSA-N 1 0 281.356 -0.841 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)o1 ZINC001482715879 917221747 /nfs/dbraw/zinc/22/17/47/917221747.db2.gz JQOQCLWTIBBLKN-SCZZXKLOSA-N 1 0 266.301 -0.291 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001482714408 917224198 /nfs/dbraw/zinc/22/41/98/917224198.db2.gz VXIFWWPBYIBZAB-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001482722237 917226319 /nfs/dbraw/zinc/22/63/19/917226319.db2.gz QKIRAXKEBWQSFH-SNVBAGLBSA-N 1 0 251.286 -0.313 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1coc(C)n1 ZINC001482722236 917226847 /nfs/dbraw/zinc/22/68/47/917226847.db2.gz QKIRAXKEBWQSFH-JTQLQIEISA-N 1 0 251.286 -0.313 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001482725942 917231762 /nfs/dbraw/zinc/23/17/62/917231762.db2.gz OAVRKMYUWYRISM-GFCCVEGCSA-N 1 0 297.399 -0.229 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1nccc(C)n1 ZINC001482723933 917232133 /nfs/dbraw/zinc/23/21/33/917232133.db2.gz AFSBXQKFWOCURJ-SNVBAGLBSA-N 1 0 250.302 -0.349 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001482726111 917234509 /nfs/dbraw/zinc/23/45/09/917234509.db2.gz BOVFMPZDWNAJNY-DTWKUNHWSA-N 1 0 291.298 -0.990 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001482726106 917236160 /nfs/dbraw/zinc/23/61/60/917236160.db2.gz BOVFMPZDWNAJNY-BDAKNGLRSA-N 1 0 291.298 -0.990 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482730378 917238360 /nfs/dbraw/zinc/23/83/60/917238360.db2.gz XQHIKHRNEFGRPZ-QWRGUYRKSA-N 1 0 292.763 -0.389 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001482730376 917239265 /nfs/dbraw/zinc/23/92/65/917239265.db2.gz XQHIKHRNEFGRPZ-GHMZBOCLSA-N 1 0 292.763 -0.389 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001482744039 917248168 /nfs/dbraw/zinc/24/81/68/917248168.db2.gz OPABSLLWIUSCKQ-DGCLKSJQSA-N 1 0 278.356 -0.302 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCN1CC ZINC001482744817 917248649 /nfs/dbraw/zinc/24/86/49/917248649.db2.gz CUMCCNHIJIJREJ-STQMWFEESA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001482744343 917248683 /nfs/dbraw/zinc/24/86/83/917248683.db2.gz SXUFDTTVOMVZQF-MNOVXSKESA-N 1 0 269.345 -0.893 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001482755321 917250230 /nfs/dbraw/zinc/25/02/30/917250230.db2.gz FKMJEDWFKLOZAX-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001482753096 917252017 /nfs/dbraw/zinc/25/20/17/917252017.db2.gz QALFWYIROXCVKQ-UPJWGTAASA-N 1 0 268.357 -0.109 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O)cc1 ZINC001482755335 917252786 /nfs/dbraw/zinc/25/27/86/917252786.db2.gz FTVMORSEHYNKRX-GXFFZTMASA-N 1 0 289.335 -0.778 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001482759072 917254348 /nfs/dbraw/zinc/25/43/48/917254348.db2.gz PNSGXPKTWSGQDZ-NXEZZACHSA-N 1 0 282.348 -0.755 20 30 CBEDRO CC[C@H](F)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001482757829 917254443 /nfs/dbraw/zinc/25/44/43/917254443.db2.gz RFBYJQUMQXDBFX-MNOVXSKESA-N 1 0 260.309 -0.549 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn2cccnc12 ZINC001482756733 917257114 /nfs/dbraw/zinc/25/71/14/917257114.db2.gz UVMOFJVROZWGIH-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1ncn2C ZINC001482766600 917264782 /nfs/dbraw/zinc/26/47/82/917264782.db2.gz IDQYYOGZEORVJO-JTQLQIEISA-N 1 0 289.339 -0.165 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1nccn2ccnc12 ZINC001482770782 917268180 /nfs/dbraw/zinc/26/81/80/917268180.db2.gz VEHKIKIUPSYOKS-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1c(C)nn(C)c1OC ZINC001482773154 917268622 /nfs/dbraw/zinc/26/86/22/917268622.db2.gz MMXKRRKNEMALQD-LLVKDONJSA-N 1 0 296.371 -0.006 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(CC)n1 ZINC001482773362 917269598 /nfs/dbraw/zinc/26/95/98/917269598.db2.gz AXIBWSRNSURALU-SNVBAGLBSA-N 1 0 252.318 -0.231 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC(=C)C)nn1 ZINC001482777655 917270970 /nfs/dbraw/zinc/27/09/70/917270970.db2.gz VQNNMGMYMKPOLO-LLVKDONJSA-N 1 0 279.344 -0.280 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(N(C)C)c1 ZINC001482776258 917270985 /nfs/dbraw/zinc/27/09/85/917270985.db2.gz WOZVLYLEAGVHEX-CYBMUJFWSA-N 1 0 290.367 -0.149 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)c1cnon1 ZINC001482779699 917276647 /nfs/dbraw/zinc/27/66/47/917276647.db2.gz OUXGXAJVVZARAQ-VIFPVBQESA-N 1 0 254.290 -0.284 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1C(C)C ZINC001482791213 917287189 /nfs/dbraw/zinc/28/71/89/917287189.db2.gz RIBHCCBNNTWXAP-NSHDSACASA-N 1 0 278.356 -0.143 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001482798917 917290781 /nfs/dbraw/zinc/29/07/81/917290781.db2.gz ISSBIEQXTGUREZ-NEPJUHHUSA-N 1 0 298.387 -0.438 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001482803312 917294932 /nfs/dbraw/zinc/29/49/32/917294932.db2.gz DIPHNWPOKKVENK-PWSUYJOCSA-N 1 0 264.329 -0.777 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CCOCC1 ZINC001482803679 917296006 /nfs/dbraw/zinc/29/60/06/917296006.db2.gz BPKYOMJXCLOYDL-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001482802465 917296699 /nfs/dbraw/zinc/29/66/99/917296699.db2.gz SPBXMKBWHREDKL-HIFRSBDPSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001482832011 917307184 /nfs/dbraw/zinc/30/71/84/917307184.db2.gz RPXBPJMWAGQFDW-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001482836880 917309708 /nfs/dbraw/zinc/30/97/08/917309708.db2.gz BFJSXQKCLNGRMA-SNVBAGLBSA-N 1 0 277.390 -0.452 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001482849697 917313866 /nfs/dbraw/zinc/31/38/66/917313866.db2.gz NLDQMTVBEWSIIE-VXGBXAGGSA-N 1 0 286.397 -0.071 20 30 CBEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001482875969 917321821 /nfs/dbraw/zinc/32/18/21/917321821.db2.gz DSAGFCJDZZYNQV-VIFPVBQESA-N 1 0 296.327 -0.923 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001482897322 917323660 /nfs/dbraw/zinc/32/36/60/917323660.db2.gz YASTVSZZJFHWHG-SECBINFHSA-N 1 0 268.317 -0.791 20 30 CBEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001482892450 917325443 /nfs/dbraw/zinc/32/54/43/917325443.db2.gz XHMWYTNZBQRWIJ-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1ccnc1 ZINC001482905853 917330287 /nfs/dbraw/zinc/33/02/87/917330287.db2.gz PYADTWWAOPBTJZ-GFCCVEGCSA-N 1 0 291.355 -0.883 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001482903898 917330721 /nfs/dbraw/zinc/33/07/21/917330721.db2.gz ACUUPSYFELZFRK-GHMZBOCLSA-N 1 0 279.340 -0.453 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O ZINC001482923733 917340087 /nfs/dbraw/zinc/34/00/87/917340087.db2.gz DDRIMRPVPSDLGV-WDEREUQCSA-N 1 0 269.345 -0.663 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCN(C)C1=O ZINC001482944659 917346153 /nfs/dbraw/zinc/34/61/53/917346153.db2.gz LQHZWTJFUNZJDK-GFCCVEGCSA-N 1 0 265.357 -0.074 20 30 CBEDRO C[C@H]([NH2+]C/C=C\CNC(=O)CSCC#N)C(=O)N(C)C ZINC001482980400 917356347 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CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)OC)C1 ZINC001485676686 918167410 /nfs/dbraw/zinc/16/74/10/918167410.db2.gz JTIMYUOECZBAOS-JHJVBQTASA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001485706594 918170287 /nfs/dbraw/zinc/17/02/87/918170287.db2.gz CVUOBXBZBLHGPH-UMSPYCQHSA-N 1 0 286.335 -0.088 20 30 CBEDRO C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001485710057 918174789 /nfs/dbraw/zinc/17/47/89/918174789.db2.gz GIVPOESJZQHHEO-SNVBAGLBSA-N 1 0 293.327 -0.198 20 30 CBEDRO COCC#CC[NH2+]CCC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001485711931 918175139 /nfs/dbraw/zinc/17/51/39/918175139.db2.gz WILBHTXQSMCSBG-ZDUSSCGKSA-N 1 0 297.399 -0.011 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001485725911 918178776 /nfs/dbraw/zinc/17/87/76/918178776.db2.gz FNGNOVKAYXMRBS-MNOVXSKESA-N 1 0 294.355 -0.518 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CCNC(N)=O ZINC001485748216 918181227 /nfs/dbraw/zinc/18/12/27/918181227.db2.gz 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C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001485891604 918217302 /nfs/dbraw/zinc/21/73/02/918217302.db2.gz WYODVWMJORASJK-ZJUUUORDSA-N 1 0 260.359 -0.511 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1cnc[nH]c1=O ZINC001485888949 918219052 /nfs/dbraw/zinc/21/90/52/918219052.db2.gz LEJHLCPYNJBUMY-LLVKDONJSA-N 1 0 292.339 -0.118 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001485894778 918219906 /nfs/dbraw/zinc/21/99/06/918219906.db2.gz VMCJMHJQKKYRFW-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001485911675 918224670 /nfs/dbraw/zinc/22/46/70/918224670.db2.gz FNBAQYMORZLZHR-GHMZBOCLSA-N 1 0 251.330 -0.466 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001485916226 918225554 /nfs/dbraw/zinc/22/55/54/918225554.db2.gz MEUTXKNQIBKFGO-SNVBAGLBSA-N 1 0 262.313 -0.157 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cnon1 ZINC001485935107 918234568 /nfs/dbraw/zinc/23/45/68/918234568.db2.gz 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COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)CSC ZINC001485979951 918273008 /nfs/dbraw/zinc/27/30/08/918273008.db2.gz PWNDRANAEWLWSP-NEPJUHHUSA-N 1 0 288.413 -0.298 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@H](C)OC ZINC001485990848 918283839 /nfs/dbraw/zinc/28/38/39/918283839.db2.gz WZZOFFICVDOPET-NWDGAFQWSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cc1ccoc1 ZINC001485990845 918284394 /nfs/dbraw/zinc/28/43/94/918284394.db2.gz XNAXGBMHZIJIHG-LBPRGKRZSA-N 1 0 250.298 -0.088 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001485990607 918286573 /nfs/dbraw/zinc/28/65/73/918286573.db2.gz WJTSYDGQRJCNEW-NWDGAFQWSA-N 1 0 281.360 -0.128 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001485992729 918289124 /nfs/dbraw/zinc/28/91/24/918289124.db2.gz SJANKSOKFGFPFY-GUBZILKMSA-N 1 0 260.284 -0.022 20 30 CBEDRO CCCC[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC(C)C)C(N)=O ZINC001485994022 918290563 /nfs/dbraw/zinc/29/05/63/918290563.db2.gz 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918299243 /nfs/dbraw/zinc/29/92/43/918299243.db2.gz JLQHLSODVCGKMU-LBPRGKRZSA-N 1 0 299.334 -0.419 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCOC2 ZINC001486003528 918299629 /nfs/dbraw/zinc/29/96/29/918299629.db2.gz AESPHMMMQVWNJV-NSHDSACASA-N 1 0 292.339 -0.883 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn2ccncc12 ZINC001486003347 918300062 /nfs/dbraw/zinc/30/00/62/918300062.db2.gz DEXBZPPAEOMPTL-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1COC ZINC001486010246 918301791 /nfs/dbraw/zinc/30/17/91/918301791.db2.gz HVOIIPGXGSBBPE-NSHDSACASA-N 1 0 294.355 -0.730 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001486006941 918302698 /nfs/dbraw/zinc/30/26/98/918302698.db2.gz WNVFQGPCQCMTPM-SECBINFHSA-N 1 0 268.317 -0.320 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001486008240 918303242 /nfs/dbraw/zinc/30/32/42/918303242.db2.gz IHMUKUCVBFTZOG-LLVKDONJSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001486013645 918307554 /nfs/dbraw/zinc/30/75/54/918307554.db2.gz CEAKWUNBHPNXKC-NEPJUHHUSA-N 1 0 298.387 -0.580 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cccc2ncnn21 ZINC001486012490 918308016 /nfs/dbraw/zinc/30/80/16/918308016.db2.gz BHLNQTQTYJHVMP-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1(COC)CC1 ZINC001486016480 918309824 /nfs/dbraw/zinc/30/98/24/918309824.db2.gz GZBCGSSZZYISPK-NSHDSACASA-N 1 0 254.330 -0.497 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O)cc1 ZINC001486024168 918315030 /nfs/dbraw/zinc/31/50/30/918315030.db2.gz ZJUSANPNSVMTQN-SMDDNHRTSA-N 1 0 276.336 -0.271 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001486024289 918315907 /nfs/dbraw/zinc/31/59/07/918315907.db2.gz LFIFPRCTTLWIOM-LLVKDONJSA-N 1 0 281.360 -0.443 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc(C)co1 ZINC001486026196 918318655 /nfs/dbraw/zinc/31/86/55/918318655.db2.gz PZHMTSCRELNKLS-NSHDSACASA-N 1 0 295.339 -0.429 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)cnn1C ZINC001486027466 918320906 /nfs/dbraw/zinc/32/09/06/918320906.db2.gz LRJQSSKCRCKSAH-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001486024876 918320934 /nfs/dbraw/zinc/32/09/34/918320934.db2.gz VAXCQLVQHMFZRL-LLVKDONJSA-N 1 0 283.372 -0.456 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001486031886 918327623 /nfs/dbraw/zinc/32/76/23/918327623.db2.gz LIBNKJHHWJZMGD-QMMMGPOBSA-N 1 0 254.265 -0.748 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001486033619 918327758 /nfs/dbraw/zinc/32/77/58/918327758.db2.gz ZPCFTJZCKDONLY-BXKDBHETSA-N 1 0 257.334 -0.859 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O)CC1 ZINC001486032840 918329197 /nfs/dbraw/zinc/32/91/97/918329197.db2.gz UMKIHQGELXWARS-ZYHUDNBSSA-N 1 0 283.372 -0.327 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC)CC1 ZINC001486032713 918329224 /nfs/dbraw/zinc/32/92/24/918329224.db2.gz SYNWOPJZFMLHLK-CYBMUJFWSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001486033621 918329628 /nfs/dbraw/zinc/32/96/28/918329628.db2.gz ZPCFTJZCKDONLY-JOYOIKCWSA-N 1 0 257.334 -0.859 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccn(CC)n1 ZINC001486040722 918330546 /nfs/dbraw/zinc/33/05/46/918330546.db2.gz CCJHHPKBSGHCFW-NSHDSACASA-N 1 0 264.329 -0.393 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cn1ccc(C)cc1=O ZINC001486039430 918331371 /nfs/dbraw/zinc/33/13/71/918331371.db2.gz IUAGDNVAHVVRFD-LBPRGKRZSA-N 1 0 279.340 -0.591 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cn1ccc(C)cc1=O ZINC001486039428 918333664 /nfs/dbraw/zinc/33/36/64/918333664.db2.gz IUAGDNVAHVVRFD-GFCCVEGCSA-N 1 0 279.340 -0.591 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001486045000 918336344 /nfs/dbraw/zinc/33/63/44/918336344.db2.gz QSZUKWSOTUFZQY-WOPDTQHZSA-N 1 0 272.345 -0.973 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)COc1cccnc1 ZINC001486044012 918336403 /nfs/dbraw/zinc/33/64/03/918336403.db2.gz KRKLQXSIZUAXAQ-LBPRGKRZSA-N 1 0 277.324 -0.450 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)CNC(C)=O ZINC001486045699 918341281 /nfs/dbraw/zinc/34/12/81/918341281.db2.gz XRCBUZLPXRWSMT-LBPRGKRZSA-N 1 0 285.388 -0.209 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(C(F)F)c1 ZINC001486047715 918341322 /nfs/dbraw/zinc/34/13/22/918341322.db2.gz MGIPABYXJQPFGB-SNVBAGLBSA-N 1 0 286.282 -0.018 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(CCC)on1 ZINC001486048581 918342916 /nfs/dbraw/zinc/34/29/16/918342916.db2.gz ONSJLQDFMDDUSG-SNVBAGLBSA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001486050596 918344109 /nfs/dbraw/zinc/34/41/09/918344109.db2.gz HZJXUJPXZAYTCJ-HIFRSBDPSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)OC)cn1 ZINC001486055009 918351472 /nfs/dbraw/zinc/35/14/72/918351472.db2.gz HPYMSHQNGHGCPD-SMDDNHRTSA-N 1 0 291.351 -0.222 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CN(C)c1ccccc1 ZINC001486065283 918353028 /nfs/dbraw/zinc/35/30/28/918353028.db2.gz HHUVYPNCBQCHML-CYBMUJFWSA-N 1 0 275.352 -0.177 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC12CCOCC2 ZINC001486068007 918355050 /nfs/dbraw/zinc/35/50/50/918355050.db2.gz MXAUZJZTSLXRMQ-CHWSQXEVSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001486082205 918360734 /nfs/dbraw/zinc/36/07/34/918360734.db2.gz YBUQOEMUHHJRIX-GHMZBOCLSA-N 1 0 266.345 -0.482 20 30 CBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CSCC#N ZINC001486099183 918362231 /nfs/dbraw/zinc/36/22/31/918362231.db2.gz AAXKFMFGZQRAHJ-GHMZBOCLSA-N 1 0 298.412 -0.090 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC001486093968 918363491 /nfs/dbraw/zinc/36/34/91/918363491.db2.gz SROBHTJMEZRITM-GHMZBOCLSA-N 1 0 261.329 -0.051 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1C ZINC001486090369 918364875 /nfs/dbraw/zinc/36/48/75/918364875.db2.gz IOIRAEGWCMSWPA-NXEZZACHSA-N 1 0 292.343 -0.701 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC001486090370 918365015 /nfs/dbraw/zinc/36/50/15/918365015.db2.gz IOIRAEGWCMSWPA-VHSXEESVSA-N 1 0 292.343 -0.701 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001486097855 918365305 /nfs/dbraw/zinc/36/53/05/918365305.db2.gz WFNFBKKTRXZUGM-NEPJUHHUSA-N 1 0 261.329 -0.120 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001486105381 918365938 /nfs/dbraw/zinc/36/59/38/918365938.db2.gz PMAOLACCPBECKD-ONGXEEELSA-N 1 0 289.339 -0.175 20 30 CBEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001486108688 918366873 /nfs/dbraw/zinc/36/68/73/918366873.db2.gz KDMSBOHVLIQFMF-RYUDHWBXSA-N 1 0 281.356 -0.649 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001486104346 918367496 /nfs/dbraw/zinc/36/74/96/918367496.db2.gz KVTUCPUQUHODIM-VXGBXAGGSA-N 1 0 283.372 -0.144 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC001486108520 918369362 /nfs/dbraw/zinc/36/93/62/918369362.db2.gz JFTADHMXUFKUQX-TZMCWYRMSA-N 1 0 287.363 -0.272 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001486104732 918369911 /nfs/dbraw/zinc/36/99/11/918369911.db2.gz AUEBYWJCSMXTEF-UONOGXRCSA-N 1 0 279.384 -0.079 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001486131255 918372241 /nfs/dbraw/zinc/37/22/41/918372241.db2.gz WMFLJUZCKDAGOG-CHWSQXEVSA-N 1 0 291.355 -0.493 20 30 CBEDRO CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001486190467 918378948 /nfs/dbraw/zinc/37/89/48/918378948.db2.gz LUSUKRKKRWHDSN-WDEREUQCSA-N 1 0 252.318 -0.479 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001486195112 918381652 /nfs/dbraw/zinc/38/16/52/918381652.db2.gz KRTMULSZBQARPL-GHMZBOCLSA-N 1 0 298.412 -0.136 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CC1(C)C ZINC001486231276 918384773 /nfs/dbraw/zinc/38/47/73/918384773.db2.gz KKFCEMMCWZJAFO-GHMZBOCLSA-N 1 0 280.372 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001486215325 918384832 /nfs/dbraw/zinc/38/48/32/918384832.db2.gz MSGGLBYPHIPHPC-NWDGAFQWSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CCC1 ZINC001486255053 918389369 /nfs/dbraw/zinc/38/93/69/918389369.db2.gz BWWXLRANPXFIIG-YPMHNXCESA-N 1 0 295.383 -0.667 20 30 CBEDRO COCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486272458 918401787 /nfs/dbraw/zinc/40/17/87/918401787.db2.gz XTBPPINXEQYLAH-NSHDSACASA-N 1 0 280.328 -0.445 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486268936 918402480 /nfs/dbraw/zinc/40/24/80/918402480.db2.gz WAUBYECIGOXBHT-CHWSQXEVSA-N 1 0 285.388 -0.698 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC1CCC1 ZINC001486268872 918403339 /nfs/dbraw/zinc/40/33/39/918403339.db2.gz VEJBQRBKJGOIGB-ZDUSSCGKSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001486272030 918403662 /nfs/dbraw/zinc/40/36/62/918403662.db2.gz TYKPJOAOLRBUOT-QWRGUYRKSA-N 1 0 270.329 -0.466 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001486276827 918405434 /nfs/dbraw/zinc/40/54/34/918405434.db2.gz QNAMDTMVTSCIHG-LBPRGKRZSA-N 1 0 278.356 -0.226 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001486275533 918405590 /nfs/dbraw/zinc/40/55/90/918405590.db2.gz QQNZPRNTNIYALN-STQMWFEESA-N 1 0 297.399 -0.325 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C2CC2)cnn1C ZINC001486277785 918405804 /nfs/dbraw/zinc/40/58/04/918405804.db2.gz AVVDOZWDNDGOEE-LBPRGKRZSA-N 1 0 290.367 -0.047 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001486278321 918408001 /nfs/dbraw/zinc/40/80/01/918408001.db2.gz ICHQBPNPRFMWOP-NEPJUHHUSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001486278326 918409296 /nfs/dbraw/zinc/40/92/96/918409296.db2.gz ICHQBPNPRFMWOP-RYUDHWBXSA-N 1 0 283.372 -0.550 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OCC)n[nH]1 ZINC001486285283 918411561 /nfs/dbraw/zinc/41/15/61/918411561.db2.gz NKROYCNPJJXZFG-NSHDSACASA-N 1 0 294.355 -0.146 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CN1CCCCC1=O ZINC001486286879 918411709 /nfs/dbraw/zinc/41/17/09/918411709.db2.gz AOZOHAZIAJHHHU-ZDUSSCGKSA-N 1 0 297.399 -0.016 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001486283958 918412594 /nfs/dbraw/zinc/41/25/94/918412594.db2.gz DNZPPYBSALOQLD-BXUZGUMPSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001486297225 918414938 /nfs/dbraw/zinc/41/49/38/918414938.db2.gz UALCQHNCOPBCNP-LBPRGKRZSA-N 1 0 265.313 -0.351 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCCOC1 ZINC001486307435 918418674 /nfs/dbraw/zinc/41/86/74/918418674.db2.gz QSPIIFVTQNCQGN-GXTWGEPZSA-N 1 0 268.357 -0.155 20 30 CBEDRO 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/nfs/dbraw/zinc/40/68/20/919406820.db2.gz GRUFPMGYLZXXCW-UHFFFAOYSA-N 1 0 282.344 -0.414 20 30 CBEDRO C#CCC[N@H+](C)CCNC(=O)c1nc2ncccn2n1 ZINC001492461083 919420529 /nfs/dbraw/zinc/42/05/29/919420529.db2.gz VCMFZYRJKKGVER-UHFFFAOYSA-N 1 0 272.312 -0.191 20 30 CBEDRO CCN(CCNC(=O)c1c[nH]c(C#N)c1)CC(=O)NC ZINC001492942619 919452877 /nfs/dbraw/zinc/45/28/77/919452877.db2.gz VHMYEZYGYPOOFB-UHFFFAOYSA-N 1 0 277.328 -0.316 20 30 CBEDRO C#CC[N@H+](CC)CCNC(=O)c1cc2n(n1)CCO2 ZINC001492967565 919457100 /nfs/dbraw/zinc/45/71/00/919457100.db2.gz MQKLKOUAEJQNMH-UHFFFAOYSA-N 1 0 262.313 -0.040 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC)C[C@@H](C)O ZINC001492967761 919457297 /nfs/dbraw/zinc/45/72/97/919457297.db2.gz PGNDUONNJZAVEC-KGLIPLIRSA-N 1 0 281.400 -0.097 20 30 CBEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC(N)=O ZINC001493087887 919479664 /nfs/dbraw/zinc/47/96/64/919479664.db2.gz RUXBCILXKXKPBG-QWRGUYRKSA-N 1 0 296.371 -0.867 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001493224032 919504211 /nfs/dbraw/zinc/50/42/11/919504211.db2.gz UUUYIKNGKUQNTP-QWRGUYRKSA-N 1 0 251.330 -0.431 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)COC)C1=O ZINC001493453533 919549949 /nfs/dbraw/zinc/54/99/49/919549949.db2.gz MTPXLNFLQVZBIB-LLVKDONJSA-N 1 0 269.345 -0.532 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CSCC#N ZINC001493481465 919557495 /nfs/dbraw/zinc/55/74/95/919557495.db2.gz GBPDXAOTEYCACB-SECBINFHSA-N 1 0 272.374 -0.574 20 30 CBEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[C@@H]1CCCO1 ZINC001493482806 919558912 /nfs/dbraw/zinc/55/89/12/919558912.db2.gz COBXSPRNEVEKBZ-LBPRGKRZSA-N 1 0 296.371 -0.367 20 30 CBEDRO C=CCOCC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001493499434 919561838 /nfs/dbraw/zinc/56/18/38/919561838.db2.gz ZANUFUBSMKXKCD-NSHDSACASA-N 1 0 269.345 -0.532 20 30 CBEDRO C=CCOCC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001493499423 919562794 /nfs/dbraw/zinc/56/27/94/919562794.db2.gz ZANUFUBSMKXKCD-LLVKDONJSA-N 1 0 269.345 -0.532 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001493522036 919568253 /nfs/dbraw/zinc/56/82/53/919568253.db2.gz GXIPZPZTUIJEKW-SECBINFHSA-N 1 0 277.328 -0.318 20 30 CBEDRO C/C=C(\C)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001493513811 919568930 /nfs/dbraw/zinc/56/89/30/919568930.db2.gz LQXJGAOWDMEDNT-ONNFQVAWSA-N 1 0 252.318 -0.360 20 30 CBEDRO C#CCOCCC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001493544205 919576907 /nfs/dbraw/zinc/57/69/07/919576907.db2.gz FTFIENKIOLFTBS-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001493570585 919582236 /nfs/dbraw/zinc/58/22/36/919582236.db2.gz PGWMQBGFRWGKMG-NSHDSACASA-N 1 0 251.330 -0.464 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)c1cnn2c1OCCC2 ZINC001493615645 919590930 /nfs/dbraw/zinc/59/09/30/919590930.db2.gz YMKCYLFQJJVKNL-UHFFFAOYSA-N 1 0 262.313 -0.040 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@@H](CCC)S(N)(=O)=O ZINC001493641356 919592196 /nfs/dbraw/zinc/59/21/96/919592196.db2.gz QOLDWTCJVHQBDI-LLVKDONJSA-N 1 0 289.401 -0.485 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H](CCC)S(N)(=O)=O ZINC001493641357 919594553 /nfs/dbraw/zinc/59/45/53/919594553.db2.gz QOLDWTCJVHQBDI-NSHDSACASA-N 1 0 289.401 -0.485 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001493669804 919601435 /nfs/dbraw/zinc/60/14/35/919601435.db2.gz SIQGHEBBNQTSOK-NWDGAFQWSA-N 1 0 283.347 -0.078 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC001493691860 919602776 /nfs/dbraw/zinc/60/27/76/919602776.db2.gz ZNCSHZXUMPMPTQ-QWHCGFSZSA-N 1 0 295.383 -0.544 20 30 CBEDRO CN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)C(N)=O ZINC001493678468 919604830 /nfs/dbraw/zinc/60/48/30/919604830.db2.gz LSUJRXSHPZKHNR-UHFFFAOYSA-N 1 0 278.287 -0.269 20 30 CBEDRO C#CCOc1ccc(C(=O)N(C)CC[NH2+]CC(N)=O)cc1 ZINC001493721868 919608089 /nfs/dbraw/zinc/60/80/89/919608089.db2.gz UYTDRFRRRLUPAC-UHFFFAOYSA-N 1 0 289.335 -0.155 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001493726445 919613411 /nfs/dbraw/zinc/61/34/11/919613411.db2.gz ADRLCPUJHIAROW-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)C1(S(C)(=O)=O)CCC1 ZINC001493746207 919617597 /nfs/dbraw/zinc/61/75/97/919617597.db2.gz LHAHQNNARDSJLU-UHFFFAOYSA-N 1 0 272.370 -0.365 20 30 CBEDRO C=CC[NH2+]CCN(C)C(=O)CCc1cn(C)nn1 ZINC001493812705 919624697 /nfs/dbraw/zinc/62/46/97/919624697.db2.gz LMAUUQANYVQCGX-UHFFFAOYSA-N 1 0 251.334 -0.018 20 30 CBEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C(C)=O ZINC001493809554 919624784 /nfs/dbraw/zinc/62/47/84/919624784.db2.gz KNBWYLQLBGSLSO-CQSZACIVSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001493835575 919629857 /nfs/dbraw/zinc/62/98/57/919629857.db2.gz BCNPXDGSYFLXLA-DGCLKSJQSA-N 1 0 277.368 -0.028 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CS(=O)(=O)C2)C1 ZINC001494016348 919647188 /nfs/dbraw/zinc/64/71/88/919647188.db2.gz CLMVJYMJCOEOEO-GFCCVEGCSA-N 1 0 298.408 -0.118 20 30 CBEDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CSCC#N)C1 ZINC001494159035 919667864 /nfs/dbraw/zinc/66/78/64/919667864.db2.gz HNEQLDLVVSILSE-PHIMTYICSA-N 1 0 298.412 -0.042 20 30 CBEDRO C=C(C)CC[NH+]1CC(NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001494494377 919710489 /nfs/dbraw/zinc/71/04/89/919710489.db2.gz XKDYMUDOQPRDEP-LLVKDONJSA-N 1 0 294.355 -0.259 20 30 CBEDRO C=C(C)CC[NH+]1CC(NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001494494378 919711107 /nfs/dbraw/zinc/71/11/07/919711107.db2.gz XKDYMUDOQPRDEP-NSHDSACASA-N 1 0 294.355 -0.259 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)CNC(=O)OC)C1 ZINC001494528602 919721543 /nfs/dbraw/zinc/72/15/43/919721543.db2.gz ZMVAIWUIHXWASW-UHFFFAOYSA-N 1 0 255.318 -0.034 20 30 CBEDRO C=CCOCC[NH+]1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001494594977 919745040 /nfs/dbraw/zinc/74/50/40/919745040.db2.gz YBQFZTUVSDJASB-OAHLLOKOSA-N 1 0 295.383 -0.237 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1C[NH+](C[C@H](C)O)C1 ZINC001494599673 919745466 /nfs/dbraw/zinc/74/54/66/919745466.db2.gz WLMQEAATSLXSEQ-SMDDNHRTSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCNC(=O)CN1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494591501 919746900 /nfs/dbraw/zinc/74/69/00/919746900.db2.gz SKRPVCGNFLSWES-UHFFFAOYSA-N 1 0 282.388 -0.712 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001494599275 919746994 /nfs/dbraw/zinc/74/69/94/919746994.db2.gz GFFNZOQYXLTNDN-JTQLQIEISA-N 1 0 289.401 -0.452 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)CC ZINC001494656647 919763402 /nfs/dbraw/zinc/76/34/02/919763402.db2.gz XCHRETPSBMMUCQ-RYUDHWBXSA-N 1 0 299.396 -0.766 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001494702412 919774076 /nfs/dbraw/zinc/77/40/76/919774076.db2.gz VEDGCAOJOADZNN-JSGCOSHPSA-N 1 0 286.372 -0.487 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)NC)C1 ZINC001494759225 919786128 /nfs/dbraw/zinc/78/61/28/919786128.db2.gz FJXLXNVIOVOEDA-SNVBAGLBSA-N 1 0 252.318 -0.871 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCNC(=O)NC)C1 ZINC001494755326 919788017 /nfs/dbraw/zinc/78/80/17/919788017.db2.gz USPFMAJXCHVFNG-GFCCVEGCSA-N 1 0 298.387 -0.301 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001494844346 919802227 /nfs/dbraw/zinc/80/22/27/919802227.db2.gz SSFHXLWRUPDAPI-NSHDSACASA-N 1 0 294.359 -0.441 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CC(N)=O)C1 ZINC001494849610 919803605 /nfs/dbraw/zinc/80/36/05/919803605.db2.gz VZGXCPUWRBYPHZ-WDEREUQCSA-N 1 0 251.330 -0.336 20 30 CBEDRO CC[C@H](CNC(=O)[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001494936912 919817978 /nfs/dbraw/zinc/81/79/78/919817978.db2.gz RESIZUPUDIFZIW-MNOVXSKESA-N 1 0 282.344 -0.710 20 30 CBEDRO CC[C@H](CNC(=O)c1cnns1)[NH2+]CC(=O)NCC#N ZINC001494945657 919819253 /nfs/dbraw/zinc/81/92/53/919819253.db2.gz CCXWTNFQRDUOTC-MRVPVSSYSA-N 1 0 296.356 -0.724 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)Cn1ncnn1 ZINC001494981540 919832549 /nfs/dbraw/zinc/83/25/49/919832549.db2.gz PXEZPOYXLKHEFA-SNVBAGLBSA-N 1 0 250.306 -0.819 20 30 CBEDRO C#CCC[NH2+][C@H](CC)CNC(=O)Cn1ncn(C)c1=O ZINC001495011154 919841846 /nfs/dbraw/zinc/84/18/46/919841846.db2.gz HBYRXJFNGSBCJR-LLVKDONJSA-N 1 0 279.344 -0.911 20 30 CBEDRO C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C#CC1CC1 ZINC001495031088 919846796 /nfs/dbraw/zinc/84/67/96/919846796.db2.gz RPZJHBRGUBVCIV-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)Cn1c(C)cc(C)nc1=O ZINC001495080113 919856936 /nfs/dbraw/zinc/85/69/36/919856936.db2.gz MUKIKQRPQVWHBD-CYBMUJFWSA-N 1 0 290.367 -0.022 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)Cc1nc2ncccn2n1 ZINC001495109893 919863476 /nfs/dbraw/zinc/86/34/76/919863476.db2.gz WKSKMYIUJTVFHE-NSHDSACASA-N 1 0 286.339 -0.216 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)C[C@H]2CC(=O)NC2=O)CCCC1 ZINC001495216116 919877069 /nfs/dbraw/zinc/87/70/69/919877069.db2.gz KJKHFJDCBDANBO-LLVKDONJSA-N 1 0 291.351 -0.309 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@](C)(NC(C)=O)C1CC1 ZINC001495217266 919877147 /nfs/dbraw/zinc/87/71/47/919877147.db2.gz OHRDJWSLSAHNGY-AWEZNQCLSA-N 1 0 296.371 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@](C)(NC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001495260793 919879935 /nfs/dbraw/zinc/87/99/35/919879935.db2.gz XXYPFVXIUKABML-HNNXBMFYSA-N 1 0 288.351 -0.098 20 30 CBEDRO C=CC[NH2+]C[C@@](C)(NC(=O)CNC(=O)NC)C1CC1 ZINC001495250596 919881022 /nfs/dbraw/zinc/88/10/22/919881022.db2.gz DAKVCOKCTVRRBY-CYBMUJFWSA-N 1 0 268.361 -0.024 20 30 CBEDRO C#CC[NH2+]C[C@](C)(NC(=O)CCn1cnnn1)C1CC1 ZINC001495291412 919883315 /nfs/dbraw/zinc/88/33/15/919883315.db2.gz JENVKGFLPJWUMQ-ZDUSSCGKSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)CNC(=O)NC)CC1 ZINC001495458583 919894207 /nfs/dbraw/zinc/89/42/07/919894207.db2.gz RLEWKIZBCKYHEE-XYPYZODXSA-N 1 0 266.345 -0.434 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(=O)COC ZINC001495561132 919902395 /nfs/dbraw/zinc/90/23/95/919902395.db2.gz ZNLIHHNXWGSKDD-GFCCVEGCSA-N 1 0 281.356 -0.695 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001495631799 919911892 /nfs/dbraw/zinc/91/18/92/919911892.db2.gz OEULXUVYGSIFIR-SNVBAGLBSA-N 1 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COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001495990019 919997594 /nfs/dbraw/zinc/99/75/94/919997594.db2.gz QEEPYKCCAYVPPK-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C#CC1CC1 ZINC001496055593 920017078 /nfs/dbraw/zinc/01/70/78/920017078.db2.gz STKUDEDAHROCKC-LLVKDONJSA-N 1 0 276.340 -0.524 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cnnn1C ZINC001496058249 920018516 /nfs/dbraw/zinc/01/85/16/920018516.db2.gz REBQLDDCIKGBFJ-JTQLQIEISA-N 1 0 294.359 -0.833 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CCS(=O)(=O)NC ZINC001496055914 920020058 /nfs/dbraw/zinc/02/00/58/920020058.db2.gz NZHDHJMTCPTVBW-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001496071906 920021611 /nfs/dbraw/zinc/02/16/11/920021611.db2.gz WOSYLUOUSOMWJI-RYUDHWBXSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001496071905 920022850 /nfs/dbraw/zinc/02/28/50/920022850.db2.gz 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C=CC[NH2+][C@@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001496575274 920090107 /nfs/dbraw/zinc/09/01/07/920090107.db2.gz OTBTWEDVHYUSIM-NSHDSACASA-N 1 0 281.360 -0.502 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001496572809 920090913 /nfs/dbraw/zinc/09/09/13/920090913.db2.gz CQQLKOCSQBYMPZ-GFCCVEGCSA-N 1 0 293.371 -0.665 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(C)CCN(C)CC(=O)NC ZINC001496691839 920113612 /nfs/dbraw/zinc/11/36/12/920113612.db2.gz DQOUQVDKLZRBRB-ZDUSSCGKSA-N 1 0 271.361 -0.550 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001496758105 920128585 /nfs/dbraw/zinc/12/85/85/920128585.db2.gz KINABOAYDUAIAJ-GFCCVEGCSA-N 1 0 296.371 -0.950 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001496827789 920139208 /nfs/dbraw/zinc/13/92/08/920139208.db2.gz SHVCZZDASXETPH-UHFFFAOYSA-N 1 0 291.417 -0.156 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)Cn1ccccc1=O ZINC001496837547 920139897 /nfs/dbraw/zinc/13/98/97/920139897.db2.gz JQPURSAAKVRFER-UHFFFAOYSA-N 1 0 261.325 -0.128 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001496872658 920143636 /nfs/dbraw/zinc/14/36/36/920143636.db2.gz DEEJLLVZLLZOAG-NEPJUHHUSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CS(C)(=O)=O ZINC001496874781 920144796 /nfs/dbraw/zinc/14/47/96/920144796.db2.gz NFAUYHHTVGRZBK-QWRGUYRKSA-N 1 0 272.370 -0.461 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccncc1 ZINC001496932514 920153383 /nfs/dbraw/zinc/15/33/83/920153383.db2.gz KSVYWYFMAFQBFT-LBPRGKRZSA-N 1 0 292.339 -0.936 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CCCC1 ZINC001496930509 920155354 /nfs/dbraw/zinc/15/53/54/920155354.db2.gz AYENWPGOPMEFBC-WCQYABFASA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001496935778 920158806 /nfs/dbraw/zinc/15/88/06/920158806.db2.gz HCHIJUQBGJKWPW-NSHDSACASA-N 1 0 250.302 -0.876 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496944217 920164996 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C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001496977686 920191234 /nfs/dbraw/zinc/19/12/34/920191234.db2.gz YRMFENIOLHUECP-GUBZILKMSA-N 1 0 260.284 -0.022 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001496991256 920194317 /nfs/dbraw/zinc/19/43/17/920194317.db2.gz LYZFJWPRIWTGBO-ZDUSSCGKSA-N 1 0 278.356 -0.557 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001496991167 920194871 /nfs/dbraw/zinc/19/48/71/920194871.db2.gz LIWBJQIGTNTBSC-MNOVXSKESA-N 1 0 297.355 -0.833 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn2ccncc12 ZINC001496996793 920197211 /nfs/dbraw/zinc/19/72/11/920197211.db2.gz PCWFSZRAPKTZOG-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001497003552 920200132 /nfs/dbraw/zinc/20/01/32/920200132.db2.gz WYQXQTLXSYKPGT-ZWNOBZJWSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001497002518 920200926 /nfs/dbraw/zinc/20/09/26/920200926.db2.gz LWHDGCFWNMRDFM-LBPRGKRZSA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001496999341 920201338 /nfs/dbraw/zinc/20/13/38/920201338.db2.gz VAABIOKSPAZVAC-GXFFZTMASA-N 1 0 269.345 -0.845 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001497006377 920203392 /nfs/dbraw/zinc/20/33/92/920203392.db2.gz SLDLQNHODVQYIG-LBPRGKRZSA-N 1 0 277.324 -0.206 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1CC ZINC001497005668 920205382 /nfs/dbraw/zinc/20/53/82/920205382.db2.gz NUSDSBPBSYVCNE-SNVBAGLBSA-N 1 0 264.329 -0.324 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001497011947 920206884 /nfs/dbraw/zinc/20/68/84/920206884.db2.gz PGGDBFMZRJYOEJ-NSHDSACASA-N 1 0 290.385 -0.936 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nnc2ccccc2n1 ZINC001497020272 920209898 /nfs/dbraw/zinc/20/98/98/920209898.db2.gz MAXONXKTXJRDPJ-NSHDSACASA-N 1 0 299.334 -0.272 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1occ2c1CCOC2 ZINC001497025667 920212541 /nfs/dbraw/zinc/21/25/41/920212541.db2.gz QLHWKYRQHAUVCZ-NSHDSACASA-N 1 0 278.308 -0.334 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001497038280 920218342 /nfs/dbraw/zinc/21/83/42/920218342.db2.gz RLPMMXVZVCMXTI-RYUDHWBXSA-N 1 0 281.356 -0.865 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1cnoc1 ZINC001497038512 920219129 /nfs/dbraw/zinc/21/91/29/920219129.db2.gz ASFDNGPZFRXPMX-NSHDSACASA-N 1 0 251.286 -0.693 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCN(CC)C1=O ZINC001497033790 920221487 /nfs/dbraw/zinc/22/14/87/920221487.db2.gz MOTPIIVFNOMWKK-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497048724 920227527 /nfs/dbraw/zinc/22/75/27/920227527.db2.gz SDJOXWCSDYABRW-IUODEOHRSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001497047852 920228257 /nfs/dbraw/zinc/22/82/57/920228257.db2.gz AQHVHLTXZNGCAT-MNOVXSKESA-N 1 0 291.355 -0.685 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001497054711 920230999 /nfs/dbraw/zinc/23/09/99/920230999.db2.gz QLVRLMKEBPRZJE-ZDUSSCGKSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001497063830 920234038 /nfs/dbraw/zinc/23/40/38/920234038.db2.gz KGNUKLXKLRFDEB-QWRGUYRKSA-N 1 0 285.388 -0.210 20 30 CBEDRO C#CCOc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCO)cc1 ZINC001497066984 920235378 /nfs/dbraw/zinc/23/53/78/920235378.db2.gz BMDVLAILKJRIRW-ZDUSSCGKSA-N 1 0 292.335 -0.629 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001497062798 920235709 /nfs/dbraw/zinc/23/57/09/920235709.db2.gz FVJUFENPDNRNSK-QWHCGFSZSA-N 1 0 278.356 -0.076 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)COc1cccnc1 ZINC001497078060 920238355 /nfs/dbraw/zinc/23/83/55/920238355.db2.gz VNMXCBCJRWDMBJ-LLVKDONJSA-N 1 0 265.313 -0.287 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001497070383 920241501 /nfs/dbraw/zinc/24/15/01/920241501.db2.gz 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/nfs/dbraw/zinc/24/98/90/920249890.db2.gz NFUVDYICGKIUNI-SNVBAGLBSA-N 1 0 278.374 -0.938 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001497103994 920250582 /nfs/dbraw/zinc/25/05/82/920250582.db2.gz KTAUIJOJKPZODA-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(NC(N)=O)c1 ZINC001497113451 920253154 /nfs/dbraw/zinc/25/31/54/920253154.db2.gz KLKGBICNQABLSZ-GFCCVEGCSA-N 1 0 290.323 -0.509 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001497119237 920254210 /nfs/dbraw/zinc/25/42/10/920254210.db2.gz RMCXBYWONTVBTE-LLVKDONJSA-N 1 0 296.371 -0.630 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001497129308 920255373 /nfs/dbraw/zinc/25/53/73/920255373.db2.gz VONREIIIFWAPCO-FZMZJTMJSA-N 1 0 283.372 -0.312 20 30 CBEDRO C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)CSCC#N ZINC001497141771 920260842 /nfs/dbraw/zinc/26/08/42/920260842.db2.gz TZGOVTSWKRJQKG-VIFPVBQESA-N 1 0 297.388 -0.549 20 30 CBEDRO 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC1 ZINC001497780857 920381309 /nfs/dbraw/zinc/38/13/09/920381309.db2.gz WAEGQLOUWCYSLX-NXEZZACHSA-N 1 0 251.330 -0.371 20 30 CBEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001497798490 920390627 /nfs/dbraw/zinc/39/06/27/920390627.db2.gz XFWCYKYWWVSIFJ-VHSXEESVSA-N 1 0 290.389 -0.820 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1 ZINC001497807181 920394159 /nfs/dbraw/zinc/39/41/59/920394159.db2.gz RBCZOQPJYFXKEI-GFCCVEGCSA-N 1 0 255.362 -0.011 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cccc(=O)[nH]1 ZINC001497802052 920395004 /nfs/dbraw/zinc/39/50/04/920395004.db2.gz JFNFZPBIZZPRGD-SECBINFHSA-N 1 0 291.311 -0.865 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC1(C)CC1 ZINC001497856556 920410333 /nfs/dbraw/zinc/41/03/33/920410333.db2.gz MKLYWFCMIMCUSZ-SNVBAGLBSA-N 1 0 266.345 -0.089 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](F)C(C)C ZINC001497882881 920418352 /nfs/dbraw/zinc/41/83/52/920418352.db2.gz CPQSNGLCDZBBBO-ZYHUDNBSSA-N 1 0 271.336 -0.176 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001497918522 920422361 /nfs/dbraw/zinc/42/23/61/920422361.db2.gz AAVWUDARSPQGMH-BDAKNGLRSA-N 1 0 297.808 -0.229 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001497960333 920428136 /nfs/dbraw/zinc/42/81/36/920428136.db2.gz BFFPKDSULCXQRO-MNOVXSKESA-N 1 0 266.345 -0.353 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)Cn1c(C)cc(C)nc1=O ZINC001497950471 920429990 /nfs/dbraw/zinc/42/99/90/920429990.db2.gz KQRLQHUEGSQLQJ-LLVKDONJSA-N 1 0 276.340 -0.412 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1cccn1 ZINC001498010230 920443589 /nfs/dbraw/zinc/44/35/89/920443589.db2.gz MAHHSRRBNRRTPT-LBPRGKRZSA-N 1 0 264.329 -0.373 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)c1c[nH]c(C#N)c1 ZINC001498033026 920450062 /nfs/dbraw/zinc/45/00/62/920450062.db2.gz HTDOTRQMMJJXMF-VIFPVBQESA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC001498027993 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C#CCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001498050708 920463599 /nfs/dbraw/zinc/46/35/99/920463599.db2.gz JPCKNAOSTBZELK-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](COC)OC ZINC001498108630 920481912 /nfs/dbraw/zinc/48/19/12/920481912.db2.gz DUOTZDDAFZVZRF-NWDGAFQWSA-N 1 0 272.345 -0.608 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001498133701 920493766 /nfs/dbraw/zinc/49/37/66/920493766.db2.gz VEYYUEDTUFZDEW-VIFPVBQESA-N 1 0 277.328 -0.825 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ncccn1 ZINC001498139594 920496883 /nfs/dbraw/zinc/49/68/83/920496883.db2.gz HUJSPQJOPUCKIW-WDEREUQCSA-N 1 0 289.339 -0.678 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001498182009 920512527 /nfs/dbraw/zinc/51/25/27/920512527.db2.gz RGHHCJZYOSDGQN-QMMMGPOBSA-N 1 0 288.735 -0.615 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001498183401 920512911 /nfs/dbraw/zinc/51/29/11/920512911.db2.gz VEYFQXSJXQMFHL-JTQLQIEISA-N 1 0 267.329 -0.194 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CN1CCCC1=O ZINC001498230102 920524079 /nfs/dbraw/zinc/52/40/79/920524079.db2.gz RDLNBJBDFBMYRE-NSHDSACASA-N 1 0 251.330 -0.322 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001498239652 920532317 /nfs/dbraw/zinc/53/23/17/920532317.db2.gz GGPOBLXDDPFEOQ-SNVBAGLBSA-N 1 0 278.356 -0.043 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001498279560 920542133 /nfs/dbraw/zinc/54/21/33/920542133.db2.gz FBFZTWWIBPAMLF-NSHDSACASA-N 1 0 291.417 -0.062 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001498323238 920552542 /nfs/dbraw/zinc/55/25/42/920552542.db2.gz BYTOTRNNOMBERC-MRVPVSSYSA-N 1 0 261.272 -0.563 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001498367954 920563713 /nfs/dbraw/zinc/56/37/13/920563713.db2.gz ZZHXHPHCANBGFS-CHWSQXEVSA-N 1 0 295.383 -0.307 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001498383457 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C=CCNC(=O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000070939923 220196342 /nfs/dbraw/zinc/19/63/42/220196342.db2.gz NYNRWMMBYRZAJR-UHFFFAOYSA-N 1 0 255.362 -0.323 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000110044912 220203066 /nfs/dbraw/zinc/20/30/66/220203066.db2.gz PNRNAHFUONDVNS-ZDUSSCGKSA-N 1 0 294.399 -0.473 20 30 CBEDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cncc(C#N)c1 ZINC000394470309 373581012 /nfs/dbraw/zinc/58/10/12/373581012.db2.gz ZZUAMCZCXVSATE-NSHDSACASA-N 1 0 295.368 -0.865 20 30 CBEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000133853911 220212283 /nfs/dbraw/zinc/21/22/83/220212283.db2.gz FFRPWCVDUKGRBA-JTQLQIEISA-N 1 0 274.390 -0.252 20 30 CBEDRO CNC(=[NH2+])N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000153798747 220214195 /nfs/dbraw/zinc/21/41/95/220214195.db2.gz GERKIOUJTITFAK-UHFFFAOYSA-N 1 0 292.405 -0.697 20 30 CBEDRO C#CCOCCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368952827 373545061 /nfs/dbraw/zinc/54/50/61/373545061.db2.gz XJWUVHPSCNLQTE-ZDUSSCGKSA-N 1 0 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CKZQTYRNDAIXEH-LBPRGKRZSA-N 1 0 281.360 -0.157 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN3CCN2CC3)CC1 ZINC000178786595 220223119 /nfs/dbraw/zinc/22/31/19/220223119.db2.gz LJZABNUKODMADC-OAHLLOKOSA-N 1 0 290.411 -0.552 20 30 CBEDRO C[NH+]=C(NCCc1nc(C)no1)N1CCO[C@@H](COC)C1 ZINC000179266166 220223696 /nfs/dbraw/zinc/22/36/96/220223696.db2.gz SVCIUFVJLLSSRC-LLVKDONJSA-N 1 0 297.359 -0.157 20 30 CBEDRO COCC[N@H+](CCO)CCC(=O)N(C)CCC#N ZINC000163171525 220217412 /nfs/dbraw/zinc/21/74/12/220217412.db2.gz NQSBCDMRTMWFAO-UHFFFAOYSA-N 1 0 257.334 -0.311 20 30 CBEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185851451 220229245 /nfs/dbraw/zinc/22/92/45/220229245.db2.gz RTFJOFOAUKQZNV-NWDGAFQWSA-N 1 0 283.372 -0.550 20 30 CBEDRO Cn1cnn(CC(=O)N(CCC#N)CCC[NH+](C)C)c1=O ZINC000180984685 220224224 /nfs/dbraw/zinc/22/42/24/220224224.db2.gz WDJXSLVRPHODMD-UHFFFAOYSA-N 1 0 294.359 -0.724 20 30 CBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000491555249 373705515 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ZINC000261587835 220244523 /nfs/dbraw/zinc/24/45/23/220244523.db2.gz JSXTWWPEROWBHO-GHMZBOCLSA-N 1 0 266.345 -0.461 20 30 CBEDRO C[NH+]=C(NCc1noc(C)n1)N1CCO[C@H](COC)C1 ZINC000261743487 220244655 /nfs/dbraw/zinc/24/46/55/220244655.db2.gz BOJPBYHALCNXQW-JTQLQIEISA-N 1 0 283.332 -0.199 20 30 CBEDRO CNC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000261776638 220244705 /nfs/dbraw/zinc/24/47/05/220244705.db2.gz NGJPCFHFDDDDBP-UHFFFAOYSA-N 1 0 256.331 -0.501 20 30 CBEDRO CC1([NH+]2CCOCC2)CCN(CC(=O)NCC#N)CC1 ZINC000528726537 373976875 /nfs/dbraw/zinc/97/68/75/373976875.db2.gz DEEXTDFLAAIBAI-UHFFFAOYSA-N 1 0 280.372 -0.187 20 30 CBEDRO C=CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261853933 220245429 /nfs/dbraw/zinc/24/54/29/220245429.db2.gz NJMBAFLXGOXGII-UWVGGRQHSA-N 1 0 260.359 -0.075 20 30 CBEDRO CN/C(=[NH+]/C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261940150 220245952 /nfs/dbraw/zinc/24/59/52/220245952.db2.gz DKCTWFCIADTBPX-LBPRGKRZSA-N 1 0 281.404 -0.180 20 30 CBEDRO C#CCNC(NCc1nnc(C)n1C)=[NH+]C[C@@H]1CCCO1 ZINC000261937707 220245974 /nfs/dbraw/zinc/24/59/74/220245974.db2.gz CUTOSIFAURPCCB-LBPRGKRZSA-N 1 0 290.371 -0.029 20 30 CBEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)N(C)Cc1ccon1 ZINC000261849434 220246258 /nfs/dbraw/zinc/24/62/58/220246258.db2.gz XUSCJTVHMDDYCH-UHFFFAOYSA-N 1 0 294.315 -0.766 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262251393 220247472 /nfs/dbraw/zinc/24/74/72/220247472.db2.gz BZADLZIOPLCFOK-LLVKDONJSA-N 1 0 292.387 -0.127 20 30 CBEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262256927 220247489 /nfs/dbraw/zinc/24/74/89/220247489.db2.gz CXSZHCKVMDLXBH-LLVKDONJSA-N 1 0 297.403 -0.361 20 30 CBEDRO CCOC(=O)c1ccc(N2CC(NC(=[NH2+])NC)C2)nc1 ZINC000262256229 220247656 /nfs/dbraw/zinc/24/76/56/220247656.db2.gz QINGYZQKOVATKE-UHFFFAOYSA-N 1 0 277.328 -0.019 20 30 CBEDRO [NH2+]=C(NC[C@@H]1COC2(CCOCC2)O1)NC1CC1 ZINC000262175392 220248109 /nfs/dbraw/zinc/24/81/09/220248109.db2.gz PMRQWWSBXAZNHB-SNVBAGLBSA-N 1 0 255.318 -0.025 20 30 CBEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)NCc1ccnn1C ZINC000262002229 220248337 /nfs/dbraw/zinc/24/83/37/220248337.db2.gz UTGQOAWNBQMXAT-UHFFFAOYSA-N 1 0 290.327 -0.023 20 30 CBEDRO CC(=O)N1CCN(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000262013544 220248515 /nfs/dbraw/zinc/24/85/15/220248515.db2.gz VAOUAANBDMVXIS-UHFFFAOYSA-N 1 0 281.404 -0.145 20 30 CBEDRO C#CCNC(NCC(=O)N(C)C)=[NH+]C[C@@H]1CCCCO1 ZINC000262311244 220249355 /nfs/dbraw/zinc/24/93/55/220249355.db2.gz PUFNXPJXSIKUAR-LBPRGKRZSA-N 1 0 280.372 -0.188 20 30 CBEDRO C[C@H]1CCCN(C(=[NH2+])NCCN2CCNC(=O)C2)C1 ZINC000262295273 220249777 /nfs/dbraw/zinc/24/97/77/220249777.db2.gz ZLTLGHSKDTVPOX-NSHDSACASA-N 1 0 267.377 -0.535 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC(C)(C)OCCO)CCO1 ZINC000262309496 220250283 /nfs/dbraw/zinc/25/02/83/220250283.db2.gz NJWKAMVGKGXCGQ-JTQLQIEISA-N 1 0 259.350 -0.191 20 30 CBEDRO C[NH+]=C(NCC(F)F)NC[C@@H](O)c1cnn(C)c1 ZINC000262330499 220250313 /nfs/dbraw/zinc/25/03/13/220250313.db2.gz AUYBYIAYKBDUKE-MRVPVSSYSA-N 1 0 261.276 -0.116 20 30 CBEDRO CS(=O)(=O)CC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000262459239 220251002 /nfs/dbraw/zinc/25/10/02/220251002.db2.gz MAFFSCNTNMWOFZ-UHFFFAOYSA-N 1 0 275.374 -0.542 20 30 CBEDRO [NH2+]=C(NCc1nnnn1CC1CC1)N1CCOCC1 ZINC000262389051 220251010 /nfs/dbraw/zinc/25/10/10/220251010.db2.gz LSROGSNUZZFDAT-UHFFFAOYSA-N 1 0 265.321 -0.770 20 30 CBEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)O1 ZINC000262422152 220251152 /nfs/dbraw/zinc/25/11/52/220251152.db2.gz RDAAFOLIPKBCNU-UWVGGRQHSA-N 1 0 254.334 -0.276 20 30 CBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)[NH2+]CC)C1=O ZINC000262483429 220251156 /nfs/dbraw/zinc/25/11/56/220251156.db2.gz SAEKCJVWJCRVML-SECBINFHSA-N 1 0 296.327 -0.923 20 30 CBEDRO CCn1cnnc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262421939 220251334 /nfs/dbraw/zinc/25/13/34/220251334.db2.gz BJWCQSNGPYHGHS-SECBINFHSA-N 1 0 252.322 -0.167 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[C@H](C(N)=O)O2)CCO1 ZINC000262471351 220251452 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ZINC000852170803 583539564 /nfs/dbraw/zinc/53/95/64/583539564.db2.gz OVVALGPECHVXAA-UHFFFAOYSA-N 1 0 270.373 -0.085 20 30 CBEDRO C#CCOCC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000852173391 583539883 /nfs/dbraw/zinc/53/98/83/583539883.db2.gz ZDESWOBWZOECAU-LBPRGKRZSA-N 1 0 254.330 -0.327 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852653491 583550080 /nfs/dbraw/zinc/55/00/80/583550080.db2.gz VFISHGJUMFYMIX-GFCCVEGCSA-N 1 0 280.372 -0.186 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000852701119 583550812 /nfs/dbraw/zinc/55/08/12/583550812.db2.gz MMVBCOPJSQQRTF-GDBMZVCRSA-N 1 0 293.411 -0.286 20 30 CBEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCN(C(=O)OCC)CC1 ZINC000852714636 583550932 /nfs/dbraw/zinc/55/09/32/583550932.db2.gz XFYGBTCNUYVBOF-VXGBXAGGSA-N 1 0 299.371 -0.188 20 30 CBEDRO C#CCC[N@@H+](CCCC(=O)NC(N)=O)CCOC ZINC000852751451 583551595 /nfs/dbraw/zinc/55/15/95/583551595.db2.gz DEZIGKKCOBZIHR-UHFFFAOYSA-N 1 0 255.318 -0.067 20 30 CBEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)CN1CCOCC1 ZINC000852752852 583551660 /nfs/dbraw/zinc/55/16/60/583551660.db2.gz OEZFCSCWZVJFHC-CQSZACIVSA-N 1 0 270.373 -0.349 20 30 CBEDRO C#CCC[N@H+](CCCS(=O)(=O)NC)CCOC ZINC000852751500 583551696 /nfs/dbraw/zinc/55/16/96/583551696.db2.gz FRACOSVEKAZNJD-UHFFFAOYSA-N 1 0 262.375 -0.103 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCCCNC1=O ZINC000852809876 583554464 /nfs/dbraw/zinc/55/44/64/583554464.db2.gz OOVJOBJUTPQRPA-GFCCVEGCSA-N 1 0 263.341 -0.226 20 30 CBEDRO CCNC(=O)CN(CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852813775 583554967 /nfs/dbraw/zinc/55/49/67/583554967.db2.gz PCBHDRUKCNCDBM-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1COCCO1 ZINC000852816965 583555717 /nfs/dbraw/zinc/55/57/17/583555717.db2.gz LLEHOBZJEIUFSK-GFCCVEGCSA-N 1 0 252.314 -0.479 20 30 CBEDRO CNC(=O)[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852838915 583559025 /nfs/dbraw/zinc/55/90/25/583559025.db2.gz RPBPCZUNIRCELN-ZDUSSCGKSA-N 1 0 277.368 -0.026 20 30 CBEDRO C[C@H]1COCCN1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865422 583564167 /nfs/dbraw/zinc/56/41/67/583564167.db2.gz BWCGLJHDTUTMKG-ZDUSSCGKSA-N 1 0 279.384 -0.174 20 30 CBEDRO CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)n1cc(N)cn1 ZINC000852875570 583565876 /nfs/dbraw/zinc/56/58/76/583565876.db2.gz JXOLLYBRRNQMKL-WCBMZHEXSA-N 1 0 262.317 -0.572 20 30 CBEDRO Cc1cnc2nc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)nn2c1 ZINC000852876090 583566106 /nfs/dbraw/zinc/56/61/06/583566106.db2.gz VNKTYYXKZMQYGA-BDAKNGLRSA-N 1 0 271.284 -0.726 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000852876347 583566123 /nfs/dbraw/zinc/56/61/23/583566123.db2.gz YZWVETUXCXERLR-NZHLOLCQSA-N 1 0 274.280 -0.381 20 30 CBEDRO COC(=O)[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852895582 583571270 /nfs/dbraw/zinc/57/12/70/583571270.db2.gz FAXRPDQEKHLMDK-AAEUAGOBSA-N 1 0 294.351 -0.222 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000853002656 583576898 /nfs/dbraw/zinc/57/68/98/583576898.db2.gz RVNXWFOUSZWGLL-SRVKXCTJSA-N 1 0 262.309 -0.285 20 30 CBEDRO C[C@H]1C[NH+]=C(NN=Cc2nnn(C(C)(C)C)n2)N1 ZINC000853330789 583581556 /nfs/dbraw/zinc/58/15/56/583581556.db2.gz VLZHLUVEPBLDOW-ZETCQYMHSA-N 1 0 250.310 -0.301 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352420 583599318 /nfs/dbraw/zinc/59/93/18/583599318.db2.gz CERKYKIGGYEBNT-CHWSQXEVSA-N 1 0 265.357 -0.469 20 30 CBEDRO C#CC[C@H](CO)NC(=O)CN1CC[NH+](CC)CC1 ZINC000854546131 583607483 /nfs/dbraw/zinc/60/74/83/583607483.db2.gz XRBRFOQGGYRTGS-GFCCVEGCSA-N 1 0 253.346 -0.876 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000854644608 583614126 /nfs/dbraw/zinc/61/41/26/583614126.db2.gz PYVZCWNCYUOPEA-CYBMUJFWSA-N 1 0 279.384 -0.270 20 30 CBEDRO C#C[C@H](CO)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000854767994 583619908 /nfs/dbraw/zinc/61/99/08/583619908.db2.gz ICGDLAULXMAFSK-CYBMUJFWSA-N 1 0 288.351 -0.443 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCO[C@H]1C(=O)OC ZINC000855452958 583640514 /nfs/dbraw/zinc/64/05/14/583640514.db2.gz UBVWRDPYOLVWAF-VHSXEESVSA-N 1 0 256.302 -0.449 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000855822700 583648732 /nfs/dbraw/zinc/64/87/32/583648732.db2.gz IAUFKSAHPLDPPP-LLVKDONJSA-N 1 0 289.401 -0.404 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000856792042 583660781 /nfs/dbraw/zinc/66/07/81/583660781.db2.gz XMGONFBWXQEUFM-CABCVRRESA-N 1 0 293.411 -0.286 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000857577279 583681143 /nfs/dbraw/zinc/68/11/43/583681143.db2.gz YOTABHNACFMJFL-UHFFFAOYSA-N 1 0 295.364 -0.103 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000858494442 583696270 /nfs/dbraw/zinc/69/62/70/583696270.db2.gz RLFVFNXCXANJBY-XYPYZODXSA-N 1 0 266.345 -0.495 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1COCCN1C ZINC000858493211 583696360 /nfs/dbraw/zinc/69/63/60/583696360.db2.gz MFYRTMJHJIJJDP-ZDUSSCGKSA-N 1 0 282.388 -0.429 20 30 CBEDRO C[NH+]=C(NCCCOC)NCCCn1cncn1 ZINC000859001929 583706517 /nfs/dbraw/zinc/70/65/17/583706517.db2.gz FQEVMTRJONWOLA-UHFFFAOYSA-N 1 0 254.338 -0.130 20 30 CBEDRO C#CCNC(=O)CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000859353340 583715410 /nfs/dbraw/zinc/71/54/10/583715410.db2.gz BCFHLYLQOISKNG-UHFFFAOYSA-N 1 0 279.384 -0.078 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000860129510 583738968 /nfs/dbraw/zinc/73/89/68/583738968.db2.gz SWGVUZZARREXEV-SQWLQELKSA-N 1 0 291.395 -0.391 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000861366401 583766286 /nfs/dbraw/zinc/76/62/86/583766286.db2.gz IEZBTCVHBOZLPC-UHFFFAOYSA-N 1 0 294.355 -0.829 20 30 CBEDRO C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000861519010 583769057 /nfs/dbraw/zinc/76/90/57/583769057.db2.gz CEUKGLCCTOYICZ-CYBMUJFWSA-N 1 0 287.319 -0.289 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861616627 583772493 /nfs/dbraw/zinc/77/24/93/583772493.db2.gz FNMUCSYBAKAOTE-VIFPVBQESA-N 1 0 263.363 -0.424 20 30 CBEDRO C#C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1CCCO1 ZINC000861616628 583772523 /nfs/dbraw/zinc/77/25/23/583772523.db2.gz BGYFRZAPHFTNOW-NWDGAFQWSA-N 1 0 269.345 -0.168 20 30 CBEDRO C#C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCCO1 ZINC000861616543 583772531 /nfs/dbraw/zinc/77/25/31/583772531.db2.gz AYYJLZDEQFSHSX-NEPJUHHUSA-N 1 0 281.356 -0.026 20 30 CBEDRO C=CCn1cc(CNC(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC000861648234 583775565 /nfs/dbraw/zinc/77/55/65/583775565.db2.gz STIVEIJEQUDTNG-VIFPVBQESA-N 1 0 252.322 -0.047 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)NCCOCCC[NH3+] ZINC000861692929 583778162 /nfs/dbraw/zinc/77/81/62/583778162.db2.gz MTVQQCOCOPSVMR-LLVKDONJSA-N 1 0 255.318 -0.605 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861730477 583781965 /nfs/dbraw/zinc/78/19/65/583781965.db2.gz WXFCKTKAWPQHCH-SRVKXCTJSA-N 1 0 283.372 -0.111 20 30 CBEDRO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000861732492 583782165 /nfs/dbraw/zinc/78/21/65/583782165.db2.gz 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ZINC001042955934 801531842 /nfs/dbraw/zinc/53/18/42/801531842.db2.gz AQIGCDUICYFTFH-JTQLQIEISA-N 1 0 280.328 -0.697 20 30 CBEDRO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043113617 801540755 /nfs/dbraw/zinc/54/07/55/801540755.db2.gz NWYIHBMWIZIVGV-GFCCVEGCSA-N 1 0 295.383 -0.406 20 30 CBEDRO C#CCN1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043392008 801561248 /nfs/dbraw/zinc/56/12/48/801561248.db2.gz OEAYSNQPEPLSRF-CXOJTPOUSA-N 1 0 289.379 -0.375 20 30 CBEDRO CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)[NH+](C)C ZINC001043677849 801582453 /nfs/dbraw/zinc/58/24/53/801582453.db2.gz NIJRJMGXYVRQNM-WDEREUQCSA-N 1 0 296.371 -0.824 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H](C)C1 ZINC001044491158 801653253 /nfs/dbraw/zinc/65/32/53/801653253.db2.gz WHLBOKOCBPIAEZ-MNOVXSKESA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001044605856 801659457 /nfs/dbraw/zinc/65/94/57/801659457.db2.gz UMNRPMSBOROXFQ-WDEREUQCSA-N 1 0 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801666204 /nfs/dbraw/zinc/66/62/04/801666204.db2.gz FQQNRRLKNUBGNB-MNOVXSKESA-N 1 0 274.324 -0.014 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)[C@@H](C)C1 ZINC001044794067 801670775 /nfs/dbraw/zinc/67/07/75/801670775.db2.gz UHJHFRIQVJWNHD-RYUDHWBXSA-N 1 0 276.344 -0.335 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H](C)C1 ZINC001044852659 801673341 /nfs/dbraw/zinc/67/33/41/801673341.db2.gz JSEQUOVDMJYHNF-GHMZBOCLSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@@H](C)C1 ZINC001044851013 801673703 /nfs/dbraw/zinc/67/37/03/801673703.db2.gz WKPMUGKHMNQYCR-NWDGAFQWSA-N 1 0 291.351 -0.262 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@@H](C)C1 ZINC001044878161 801675109 /nfs/dbraw/zinc/67/51/09/801675109.db2.gz LQTIYHWHDZYHBI-RYUDHWBXSA-N 1 0 290.367 -0.060 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413604 801695952 /nfs/dbraw/zinc/69/59/52/801695952.db2.gz TYLDYPWXSXUPQP-NSHDSACASA-N 1 0 296.371 -0.823 20 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260.297 -0.547 20 30 CBEDRO COCC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630077 802401474 /nfs/dbraw/zinc/40/14/74/802401474.db2.gz RUMQZZPCVRNJRT-LLVKDONJSA-N 1 0 296.371 -0.511 20 30 CBEDRO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001057171198 802495846 /nfs/dbraw/zinc/49/58/46/802495846.db2.gz RLIJFIVWUJCDDL-CYBMUJFWSA-N 1 0 297.399 -0.016 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057209235 802500297 /nfs/dbraw/zinc/50/02/97/802500297.db2.gz LNWQKTTZXCUKHT-NEPJUHHUSA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632368 802517904 /nfs/dbraw/zinc/51/79/04/802517904.db2.gz MYXDLVVXWODCBK-NWDGAFQWSA-N 1 0 296.371 -0.965 20 30 CBEDRO CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058255518 802536620 /nfs/dbraw/zinc/53/66/20/802536620.db2.gz SNCYFJUCDZYPKP-LBPRGKRZSA-N 1 0 298.387 -0.575 20 30 CBEDRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058654965 802559854 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C#CCOc1ncccc1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001148302273 814937007 /nfs/dbraw/zinc/93/70/07/814937007.db2.gz IZKJYJNSJNTSNI-SNVBAGLBSA-N 1 0 290.323 -0.713 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123792059 813271989 /nfs/dbraw/zinc/27/19/89/813271989.db2.gz GUGMEVDUIMWYEQ-UHFFFAOYSA-N 1 0 286.401 -0.183 20 30 CBEDRO CCCC[C@@H]([NH2+]CCNC(=O)CSCC#N)C(N)=O ZINC001123799148 813273431 /nfs/dbraw/zinc/27/34/31/813273431.db2.gz JYELDAMVAXUSEG-SNVBAGLBSA-N 1 0 286.401 -0.007 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(F)F ZINC001122432170 813163741 /nfs/dbraw/zinc/16/37/41/813163741.db2.gz KKXRSNHZLNSDNV-ZETCQYMHSA-N 1 0 292.286 -0.642 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC001122511435 813172059 /nfs/dbraw/zinc/17/20/59/813172059.db2.gz PSZJVJWUFAEPOQ-GHMZBOCLSA-N 1 0 289.401 -0.180 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC1CC1 ZINC001124033321 813394006 /nfs/dbraw/zinc/39/40/06/813394006.db2.gz MXLAJGUTNYWNAW-NSHDSACASA-N 1 0 283.372 -0.191 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001124054548 813397465 /nfs/dbraw/zinc/39/74/65/813397465.db2.gz ZMLIQUMNSFSZQE-CQSZACIVSA-N 1 0 283.372 -0.990 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OC ZINC001124296812 813429497 /nfs/dbraw/zinc/42/94/97/813429497.db2.gz ASCCIMZXUBWGOY-ZJUUUORDSA-N 1 0 257.334 -0.582 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OC ZINC001124296809 813429629 /nfs/dbraw/zinc/42/96/29/813429629.db2.gz ASCCIMZXUBWGOY-NXEZZACHSA-N 1 0 257.334 -0.582 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124310307 813430718 /nfs/dbraw/zinc/43/07/18/813430718.db2.gz AEMNPZPDCLTMST-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO CC(C)CO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124326100 813432050 /nfs/dbraw/zinc/43/20/50/813432050.db2.gz VPPZAWXMONWKQO-NSHDSACASA-N 1 0 284.360 -0.607 20 30 CBEDRO CS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001124361692 813435639 /nfs/dbraw/zinc/43/56/39/813435639.db2.gz 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ZINC001129121487 813819911 /nfs/dbraw/zinc/81/99/11/813819911.db2.gz XGNMGKMKJKSHLU-UHFFFAOYSA-N 1 0 286.397 -0.070 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001129121323 813820355 /nfs/dbraw/zinc/82/03/55/813820355.db2.gz RZXLBOCQKCDLHK-NSHDSACASA-N 1 0 263.341 -0.226 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@@H](C)C(N)=O)CCC1 ZINC001129124687 813821170 /nfs/dbraw/zinc/82/11/70/813821170.db2.gz DSKBOAXTEWESDK-JTQLQIEISA-N 1 0 251.330 -0.240 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001129121321 813821248 /nfs/dbraw/zinc/82/12/48/813821248.db2.gz RZXLBOCQKCDLHK-LLVKDONJSA-N 1 0 263.341 -0.226 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)COC ZINC001129138681 813821298 /nfs/dbraw/zinc/82/12/98/813821298.db2.gz VHXZHDOOWDFQCN-RYUDHWBXSA-N 1 0 283.372 -0.640 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CCOCCO)CCC1 ZINC001129124638 813821501 /nfs/dbraw/zinc/82/15/01/813821501.db2.gz BIXIDCHRUCVIIM-UHFFFAOYSA-N 1 0 268.357 -0.105 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129340009 813837346 /nfs/dbraw/zinc/83/73/46/813837346.db2.gz JMLXNJYDMCBGEE-LLVKDONJSA-N 1 0 272.370 -0.317 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129347552 813838364 /nfs/dbraw/zinc/83/83/64/813838364.db2.gz PVBVYCLOHMGFOJ-LLVKDONJSA-N 1 0 272.370 -0.317 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC(OC)C1 ZINC001130031316 813896858 /nfs/dbraw/zinc/89/68/58/813896858.db2.gz KRXINVFZXPAYAU-VOMCLLRMSA-N 1 0 281.356 -0.745 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@H]1C ZINC001133343814 814245642 /nfs/dbraw/zinc/24/56/42/814245642.db2.gz WSWGLZSSYYAJEC-MNOVXSKESA-N 1 0 296.371 -0.250 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1C[C@H]1C ZINC001133343813 814245659 /nfs/dbraw/zinc/24/56/59/814245659.db2.gz WSWGLZSSYYAJEC-GHMZBOCLSA-N 1 0 296.371 -0.250 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133351326 814247142 /nfs/dbraw/zinc/24/71/42/814247142.db2.gz 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CBEDRO CC[C@H]([NH2+]C[C@@H](C)NC(=O)C#CC1CC1)C(N)=O ZINC001321510574 803778639 /nfs/dbraw/zinc/77/86/39/803778639.db2.gz GPWMHMSPUHXTLE-KOLCDFICSA-N 1 0 251.330 -0.242 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001321512479 803778954 /nfs/dbraw/zinc/77/89/54/803778954.db2.gz ZKVLVGUVKSXUMX-MNOVXSKESA-N 1 0 279.340 -0.455 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001321520547 803779859 /nfs/dbraw/zinc/77/98/59/803779859.db2.gz NCAYXCUIHBBFFD-NEPJUHHUSA-N 1 0 283.372 -0.286 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321543107 803782185 /nfs/dbraw/zinc/78/21/85/803782185.db2.gz GGNHMZHMQNWNET-ZJUUUORDSA-N 1 0 282.344 -0.355 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001321610470 803789890 /nfs/dbraw/zinc/78/98/90/803789890.db2.gz XPJKTXDBUGFGSB-SNVBAGLBSA-N 1 0 280.328 -0.517 20 30 CBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC001149055227 814966012 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C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1=COCCO1 ZINC001321780588 803813929 /nfs/dbraw/zinc/81/39/29/803813929.db2.gz XWBRNYIKWSNRBN-QWRGUYRKSA-N 1 0 297.355 -0.340 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)COCC)C1=O ZINC001321780158 803813952 /nfs/dbraw/zinc/81/39/52/803813952.db2.gz UNZRWEWNIDOLRJ-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CSCC#N ZINC001321790510 803815202 /nfs/dbraw/zinc/81/52/02/803815202.db2.gz UNGBVPWSYYPJOM-JTQLQIEISA-N 1 0 284.385 -0.430 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc(C)cn1 ZINC001321800011 803816553 /nfs/dbraw/zinc/81/65/53/803816553.db2.gz ILNPAQPTLPGMLZ-LBPRGKRZSA-N 1 0 291.355 -0.965 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cocn1 ZINC001321801618 803817963 /nfs/dbraw/zinc/81/79/63/803817963.db2.gz UIBRREGMHZGVMV-VIFPVBQESA-N 1 0 266.301 -0.315 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001321814235 803819156 /nfs/dbraw/zinc/81/91/56/803819156.db2.gz NVZRRQXIWISYAN-UWVGGRQHSA-N 1 0 291.355 -0.436 20 30 CBEDRO CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N ZINC001321813336 803819782 /nfs/dbraw/zinc/81/97/82/803819782.db2.gz FKYLMWCPAVYILG-ZJUUUORDSA-N 1 0 254.334 -0.233 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001321832056 803823130 /nfs/dbraw/zinc/82/31/30/803823130.db2.gz SHEPWPREYHUOLS-FZMZJTMJSA-N 1 0 298.387 -0.567 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@](C)(O)C=C ZINC001321831267 803823743 /nfs/dbraw/zinc/82/37/43/803823743.db2.gz FQULWXLMZQJOSS-FZMZJTMJSA-N 1 0 281.356 -0.843 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC(C)(C)O ZINC001321831747 803824424 /nfs/dbraw/zinc/82/44/24/803824424.db2.gz NGJKBFXKQVKZAG-WDEREUQCSA-N 1 0 285.388 -0.068 20 30 CBEDRO CCn1nncc1C(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001321843244 803825168 /nfs/dbraw/zinc/82/51/68/803825168.db2.gz NXJMUTIPZDBROO-NSHDSACASA-N 1 0 279.344 -0.344 20 30 CBEDRO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C#CC1CC1 ZINC001321842085 803826097 /nfs/dbraw/zinc/82/60/97/803826097.db2.gz LCXNBQZIUTYGOX-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C[NH+]1CCC(NC(=S)NCCn2cnc(C#N)n2)CC1 ZINC001321873572 803832968 /nfs/dbraw/zinc/83/29/68/803832968.db2.gz UNULYUALRRPEDZ-UHFFFAOYSA-N 1 0 293.400 -0.292 20 30 CBEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001149100235 814969374 /nfs/dbraw/zinc/96/93/74/814969374.db2.gz VYSAMZCJLMODRD-JSGCOSHPSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001321915394 803838504 /nfs/dbraw/zinc/83/85/04/803838504.db2.gz LIDCDDOSUKPYBD-JTQLQIEISA-N 1 0 265.313 -0.747 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001321926675 803839723 /nfs/dbraw/zinc/83/97/23/803839723.db2.gz MUKZGMWEVSOTRQ-VIFPVBQESA-N 1 0 263.297 -0.275 20 30 CBEDRO CO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001321938160 803840372 /nfs/dbraw/zinc/84/03/72/803840372.db2.gz VOXRYFJYRHROIS-GWCFXTLKSA-N 1 0 296.371 -0.464 20 30 CBEDRO 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C=CCCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001155593598 815299345 /nfs/dbraw/zinc/29/93/45/815299345.db2.gz LXMMWNBQIKHEPY-VIFPVBQESA-N 1 0 270.333 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CCOCC ZINC001155663055 815304501 /nfs/dbraw/zinc/30/45/01/815304501.db2.gz HGYHLBJDGYGVOE-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)COC ZINC001155689109 815305539 /nfs/dbraw/zinc/30/55/39/815305539.db2.gz FGLYJLCJVDKJQS-LLVKDONJSA-N 1 0 269.345 -0.886 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+]CC#CCOC ZINC001155707627 815306381 /nfs/dbraw/zinc/30/63/81/815306381.db2.gz OKGHVGZFDOSVBZ-UHFFFAOYSA-N 1 0 254.330 -0.065 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155707172 815306448 /nfs/dbraw/zinc/30/64/48/815306448.db2.gz DTGLMGSGSYDGFF-JTQLQIEISA-N 1 0 283.328 -0.910 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001155725634 815307965 /nfs/dbraw/zinc/30/79/65/815307965.db2.gz YGUXVWHDIIGNHC-UHFFFAOYSA-N 1 0 299.371 -0.856 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001155732086 815309160 /nfs/dbraw/zinc/30/91/60/815309160.db2.gz ULYVVUFCKSTPAY-UHFFFAOYSA-N 1 0 297.355 -0.566 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnc(C)[nH]1 ZINC001155774444 815310875 /nfs/dbraw/zinc/31/08/75/815310875.db2.gz NEPHEUXLGBJQIJ-SNVBAGLBSA-N 1 0 291.355 -0.434 20 30 CBEDRO CSC[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155782724 815311743 /nfs/dbraw/zinc/31/17/43/815311743.db2.gz LHICRMVEUDGIMU-JTQLQIEISA-N 1 0 286.401 -0.279 20 30 CBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001155827636 815315032 /nfs/dbraw/zinc/31/50/32/815315032.db2.gz CUKPCRRMXTVZML-SNVBAGLBSA-N 1 0 266.345 -0.232 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155842620 815315993 /nfs/dbraw/zinc/31/59/93/815315993.db2.gz OSKXUYCURRNPKR-IUCAKERBSA-N 1 0 266.301 -0.953 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1ncnn1C ZINC001155835536 815316173 /nfs/dbraw/zinc/31/61/73/815316173.db2.gz AROLXYAWNPAPKS-VIFPVBQESA-N 1 0 250.306 -0.429 20 30 CBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001155835809 815316211 /nfs/dbraw/zinc/31/62/11/815316211.db2.gz FSRXMCDYYAUFHK-SECBINFHSA-N 1 0 252.318 -0.479 20 30 CBEDRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155837392 815316475 /nfs/dbraw/zinc/31/64/75/815316475.db2.gz YSGIXGOXMPQDEF-SNVBAGLBSA-N 1 0 297.359 -0.522 20 30 CBEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155889902 815319244 /nfs/dbraw/zinc/31/92/44/815319244.db2.gz WPCKUGRBFQNZSN-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C[C@@H](C[NH2+]CCCNC(=O)[C@@H](C)C#N)CS(C)(=O)=O ZINC001155849490 815317018 /nfs/dbraw/zinc/31/70/18/815317018.db2.gz ZDHSWJRTDJEIOA-QWRGUYRKSA-N 1 0 289.401 -0.077 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155854462 815317104 /nfs/dbraw/zinc/31/71/04/815317104.db2.gz FBGMGRACGVHSBG-WDEREUQCSA-N 1 0 266.345 -0.067 20 30 CBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001155843081 815317368 /nfs/dbraw/zinc/31/73/68/815317368.db2.gz TWFNCCSPICDXRY-NEPJUHHUSA-N 1 0 296.371 -0.775 20 30 CBEDRO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155849482 815317467 /nfs/dbraw/zinc/31/74/67/815317467.db2.gz ZASCPSAPJOAEJZ-JTQLQIEISA-N 1 0 290.389 -0.819 20 30 CBEDRO C[C@H](C#N)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001155849022 815317635 /nfs/dbraw/zinc/31/76/35/815317635.db2.gz SFRQMCWXLXKLBG-LLVKDONJSA-N 1 0 266.345 -0.136 20 30 CBEDRO COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155849455 815317707 /nfs/dbraw/zinc/31/77/07/815317707.db2.gz YMGCBGSZLZDYSF-NWDGAFQWSA-N 1 0 287.360 -0.734 20 30 CBEDRO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)C#N)C1=O ZINC001155848428 815317810 /nfs/dbraw/zinc/31/78/10/815317810.db2.gz LFQSKWCEKMDQRK-MNOVXSKESA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155854698 815318708 /nfs/dbraw/zinc/31/87/08/815318708.db2.gz LPPVJBMOGHNDQU-MNOVXSKESA-N 1 0 264.329 -0.620 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)c1nccnc1N ZINC001155946382 815323901 /nfs/dbraw/zinc/32/39/01/815323901.db2.gz KMVMHUAZGWKCOT-UHFFFAOYSA-N 1 0 279.344 -0.029 20 30 CBEDRO COc1nc(N(CC[NH3+])CCO)c(F)cc1C#N ZINC001155952428 815324975 /nfs/dbraw/zinc/32/49/75/815324975.db2.gz HSTKXFIZCGOMDB-UHFFFAOYSA-N 1 0 254.265 -0.142 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1cc[nH]n1 ZINC001156081668 815336050 /nfs/dbraw/zinc/33/60/50/815336050.db2.gz ONNCQOKATAOCQM-NSHDSACASA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)COCc1nncn1C ZINC001156111190 815339025 /nfs/dbraw/zinc/33/90/25/815339025.db2.gz ZMGGTASZBFNERL-GFCCVEGCSA-N 1 0 293.371 -0.209 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156145472 815340208 /nfs/dbraw/zinc/34/02/08/815340208.db2.gz LHXHEPYQHVDLGD-CYBMUJFWSA-N 1 0 283.372 -0.937 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156145494 815340369 /nfs/dbraw/zinc/34/03/69/815340369.db2.gz LXHMJQINVDATCX-CYBMUJFWSA-N 1 0 285.388 -0.385 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156145495 815340853 /nfs/dbraw/zinc/34/08/53/815340853.db2.gz LXHMJQINVDATCX-ZDUSSCGKSA-N 1 0 285.388 -0.385 20 30 CBEDRO Cc1ncoc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001156228116 815346128 /nfs/dbraw/zinc/34/61/28/815346128.db2.gz PHHCUJKBNNTCEE-UHFFFAOYSA-N 1 0 279.300 -0.668 20 30 CBEDRO CN(c1nccc(C#N)c1F)S(=O)(=O)CC[NH3+] ZINC001156236426 815349863 /nfs/dbraw/zinc/34/98/63/815349863.db2.gz KJPKBXLCWNQPTK-UHFFFAOYSA-N 1 0 258.278 -0.183 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)c1 ZINC001156281837 815352850 /nfs/dbraw/zinc/35/28/50/815352850.db2.gz GIUSLPFHDLUXAP-LLVKDONJSA-N 1 0 289.339 -0.126 20 30 CBEDRO N#C[C@H]1CNCCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001156327869 815353855 /nfs/dbraw/zinc/35/38/55/815353855.db2.gz PWRLMEDUUJMWQO-ZDUSSCGKSA-N 1 0 272.356 -0.207 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001086095584 810241084 /nfs/dbraw/zinc/24/10/84/810241084.db2.gz JVLQVERZSPCQMH-JGZJWPJOSA-N 1 0 272.370 -0.299 20 30 CBEDRO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091690 810241851 /nfs/dbraw/zinc/24/18/51/810241851.db2.gz JMNZCLVSQOZYDW-RFQIPJPRSA-N 1 0 292.383 -0.142 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086110077 810243013 /nfs/dbraw/zinc/24/30/13/810243013.db2.gz SKCQZZZEPBIQRH-MJBXVCDLSA-N 1 0 279.384 -0.439 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001086141607 810244153 /nfs/dbraw/zinc/24/41/53/810244153.db2.gz LXCQAGYWCQMKQP-RWMBFGLXSA-N 1 0 292.383 -0.105 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001086166729 810245587 /nfs/dbraw/zinc/24/55/87/810245587.db2.gz PAJPOBRQOVAZMS-WHOHXGKFSA-N 1 0 263.341 -0.385 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001086267379 810253980 /nfs/dbraw/zinc/25/39/80/810253980.db2.gz BKVQEYBEFOPXNH-PHIMTYICSA-N 1 0 274.324 -0.489 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001086276754 810254606 /nfs/dbraw/zinc/25/46/06/810254606.db2.gz DUWFBXQLRZWDHW-RWMBFGLXSA-N 1 0 287.367 -0.042 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2nccnc2N)C1 ZINC001086329089 810260541 /nfs/dbraw/zinc/26/05/41/810260541.db2.gz YIJQSONDCXJPLQ-MGCOHNPYSA-N 1 0 259.313 -0.210 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC001086323455 810261121 /nfs/dbraw/zinc/26/11/21/810261121.db2.gz BWLCDAUGMUMXOR-BJDJZHNGSA-N 1 0 264.325 -0.087 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001086326604 810261181 /nfs/dbraw/zinc/26/11/81/810261181.db2.gz SJYGBICQVZTRTF-GMTAPVOTSA-N 1 0 251.330 -0.065 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001086323457 810261364 /nfs/dbraw/zinc/26/13/64/810261364.db2.gz BWLCDAUGMUMXOR-FIQHERPVSA-N 1 0 264.325 -0.087 20 30 CBEDRO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1)C(N)=O ZINC001086344512 810262788 /nfs/dbraw/zinc/26/27/88/810262788.db2.gz REDOQVZMXXLPLR-FXPVBKGRSA-N 1 0 289.339 -0.142 20 30 CBEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)c[nH]1 ZINC001086345444 810263213 /nfs/dbraw/zinc/26/32/13/810263213.db2.gz MOGWKCCMJCOPPA-CZMCAQCFSA-N 1 0 275.312 -0.530 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001086354982 810263767 /nfs/dbraw/zinc/26/37/67/810263767.db2.gz HEOUBIJIWUIKTA-GUBZILKMSA-N 1 0 251.286 -0.788 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)/C(C)=C/C ZINC001156342677 815356061 /nfs/dbraw/zinc/35/60/61/815356061.db2.gz IIXMMAPRNRVSPX-VZUCSPMQSA-N 1 0 251.330 -0.202 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001086446604 810271059 /nfs/dbraw/zinc/27/10/59/810271059.db2.gz PAJPOBRQOVAZMS-DDHJBXDOSA-N 1 0 263.341 -0.385 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086551064 810279186 /nfs/dbraw/zinc/27/91/86/810279186.db2.gz HULUZZXULZPHCB-MGCOHNPYSA-N 1 0 290.323 -0.783 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001086560888 810280345 /nfs/dbraw/zinc/28/03/45/810280345.db2.gz AUTHTATUKIMXBA-XYPYZODXSA-N 1 0 286.335 -0.088 20 30 CBEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001086779150 810284279 /nfs/dbraw/zinc/28/42/79/810284279.db2.gz AARXNPNTFQEOGR-XQQFMLRXSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001086776566 810284718 /nfs/dbraw/zinc/28/47/18/810284718.db2.gz KUUZYZHMBOCMRU-QJPTWQEYSA-N 1 0 263.341 -0.370 20 30 CBEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001086884747 810287547 /nfs/dbraw/zinc/28/75/47/810287547.db2.gz TXYHDHVISMTECV-NWDGAFQWSA-N 1 0 290.367 -0.155 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1c1cnn(C)c1 ZINC001086959745 810287957 /nfs/dbraw/zinc/28/79/57/810287957.db2.gz RMVZPBYJUVPQPO-QWHCGFSZSA-N 1 0 276.340 -0.416 20 30 CBEDRO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C(N)=O)C2)CC1 ZINC001086939894 810288101 /nfs/dbraw/zinc/28/81/01/810288101.db2.gz CFYBBDWBHRLSPW-NSHDSACASA-N 1 0 263.341 -0.192 20 30 CBEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC ZINC001087496691 810294520 /nfs/dbraw/zinc/29/45/20/810294520.db2.gz IRZQPISFXDZIQD-WDEREUQCSA-N 1 0 262.317 -0.725 20 30 CBEDRO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C)[C@H]1CC ZINC001087547604 810297663 /nfs/dbraw/zinc/29/76/63/810297663.db2.gz MAVMTPGEKHLFAI-BFHYXJOUSA-N 1 0 279.384 -0.081 20 30 CBEDRO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1CC ZINC001087708029 810301588 /nfs/dbraw/zinc/30/15/88/810301588.db2.gz OOUWZJTZNYKMCR-GARJFASQSA-N 1 0 264.329 -0.730 20 30 CBEDRO C#CC[N@H+]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1CC ZINC001087821390 810306595 /nfs/dbraw/zinc/30/65/95/810306595.db2.gz HSNLMDVHFVUGCW-WDEREUQCSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C1 ZINC001087878628 810309807 /nfs/dbraw/zinc/30/98/07/810309807.db2.gz GYVQKWFKSJMNQL-NEPJUHHUSA-N 1 0 274.328 -0.913 20 30 CBEDRO 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CC#CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001118932360 812668350 /nfs/dbraw/zinc/66/83/50/812668350.db2.gz MZWUYINFMMWUEI-MNOVXSKESA-N 1 0 251.330 -0.227 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCn1cncn1 ZINC001118952244 812675230 /nfs/dbraw/zinc/67/52/30/812675230.db2.gz SFVQRAICWKTAIQ-LBPRGKRZSA-N 1 0 266.349 -0.536 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC001118963683 812678105 /nfs/dbraw/zinc/67/81/05/812678105.db2.gz UVDPWRDLLJRSIE-GWCFXTLKSA-N 1 0 266.345 -0.056 20 30 CBEDRO N#Cc1c[nH]c2ncnc(N3C[C@H]([NH3+])C4(COC4)C3)c12 ZINC001158765431 815546125 /nfs/dbraw/zinc/54/61/25/815546125.db2.gz ZHNNFXVRPDMKJN-VIFPVBQESA-N 1 0 270.296 -0.007 20 30 CBEDRO C[NH+]1CCC(NC(=O)CN2CCOC[C@H]2C#N)CC1 ZINC001119252553 812732554 /nfs/dbraw/zinc/73/25/54/812732554.db2.gz IJWAMKHSIJUQBQ-GFCCVEGCSA-N 1 0 266.345 -0.579 20 30 CBEDRO C=CCCC[NH2+]C1(C(N)=O)CCS(=O)(=O)CC1 ZINC001119261828 812735270 /nfs/dbraw/zinc/73/52/70/812735270.db2.gz WLLQBNRJFAVNCN-UHFFFAOYSA-N 1 0 260.359 -0.025 20 30 CBEDRO C=CCNC(=O)[C@@H](C)n1cc(COCC[NH3+])nn1 ZINC001119277823 812738715 /nfs/dbraw/zinc/73/87/15/812738715.db2.gz CZJKEPSYXCZPNW-SECBINFHSA-N 1 0 253.306 -0.383 20 30 CBEDRO C=CCNC(=O)[C@H](C)n1cc(COCC[NH3+])nn1 ZINC001119277824 812739280 /nfs/dbraw/zinc/73/92/80/812739280.db2.gz CZJKEPSYXCZPNW-VIFPVBQESA-N 1 0 253.306 -0.383 20 30 CBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001119296822 812745592 /nfs/dbraw/zinc/74/55/92/812745592.db2.gz FHXPKKPJRFNDSN-NEPJUHHUSA-N 1 0 283.372 -0.014 20 30 CBEDRO CC(C)([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001119296864 812746122 /nfs/dbraw/zinc/74/61/22/812746122.db2.gz GPGRAFHIECIIOU-RUETXSTFSA-N 1 0 250.346 -0.021 20 30 CBEDRO N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001119298799 812746674 /nfs/dbraw/zinc/74/66/74/812746674.db2.gz BEZJZNCCAYXOHI-OPRDCNLKSA-N 1 0 251.286 -0.361 20 30 CBEDRO C=C[C@@](C)(O)c1cn(CC(=O)NC2CC[NH+](C)CC2)nn1 ZINC001119336038 812759694 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N#C[C@@H]1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001119546096 812806123 /nfs/dbraw/zinc/80/61/23/812806123.db2.gz WMJVHIVTZCPZCW-IFQILLTASA-N 1 0 276.340 -0.302 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NC)[C@@H]2C1 ZINC001159109429 815559655 /nfs/dbraw/zinc/55/96/55/815559655.db2.gz VNUFHKGDBPMNGJ-ZAZJYDDPSA-N 1 0 293.367 -0.663 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001119636439 812845777 /nfs/dbraw/zinc/84/57/77/812845777.db2.gz PIAKRCPVBRHFRI-NWDGAFQWSA-N 1 0 265.357 -0.089 20 30 CBEDRO C=C(C)CC[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159184138 815560628 /nfs/dbraw/zinc/56/06/28/815560628.db2.gz IOHYJKGXNXVCNK-UHFFFAOYSA-N 1 0 291.417 -0.060 20 30 CBEDRO C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC001119667499 812862295 /nfs/dbraw/zinc/86/22/95/812862295.db2.gz WOUXZCJTYLETRG-NSHDSACASA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)Cn2cc([C@@H](C)O)nn2)CC1 ZINC001119715757 812875464 /nfs/dbraw/zinc/87/54/64/812875464.db2.gz ZDAMWZKZKHWUSJ-LLVKDONJSA-N 1 0 291.355 -0.455 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CN(C)S(C)(=O)=O ZINC001159201499 815561739 /nfs/dbraw/zinc/56/17/39/815561739.db2.gz ZHHYWVHTEHBQBG-UHFFFAOYSA-N 1 0 277.390 -0.450 20 30 CBEDRO C#CCOCC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001119851326 812895454 /nfs/dbraw/zinc/89/54/54/812895454.db2.gz HGFFEKMTWNYKLU-GFCCVEGCSA-N 1 0 266.341 -0.401 20 30 CBEDRO C=C(C)CC[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159201147 815562227 /nfs/dbraw/zinc/56/22/27/815562227.db2.gz QRNXGWXZLANEQB-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CN(C)C(=O)C1CC1 ZINC001159218635 815563481 /nfs/dbraw/zinc/56/34/81/815563481.db2.gz VQJLBMLIYJDBOQ-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H](C)[NH2+]1 ZINC001120271154 812944952 /nfs/dbraw/zinc/94/49/52/812944952.db2.gz WLYDPVCUIKCHPY-WDMOLILDSA-N 1 0 294.355 -0.664 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCNC(=O)c1ccncc1 ZINC001159231730 815564617 /nfs/dbraw/zinc/56/46/17/815564617.db2.gz YYEZHDDNPCPXIA-UHFFFAOYSA-N 1 0 288.351 -0.069 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@H]1C[NH3+] ZINC001120376620 812956020 /nfs/dbraw/zinc/95/60/20/812956020.db2.gz LWMNKNDUPOWVBF-GYSYKLTISA-N 1 0 294.355 -0.819 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC001120375883 812956184 /nfs/dbraw/zinc/95/61/84/812956184.db2.gz IHCKHAHXZVELOV-MFKMUULPSA-N 1 0 280.328 -0.923 20 30 CBEDRO C=C(CC)CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001120418686 812961910 /nfs/dbraw/zinc/96/19/10/812961910.db2.gz MATJAXRBLMQGFF-ZDUSSCGKSA-N 1 0 269.345 -0.619 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001120420252 812962259 /nfs/dbraw/zinc/96/22/59/812962259.db2.gz HWISBQWDHVETMJ-GHMZBOCLSA-N 1 0 251.330 -0.431 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001120420619 812963743 /nfs/dbraw/zinc/96/37/43/812963743.db2.gz MGMHZQAKGLICMF-BXUZGUMPSA-N 1 0 295.408 -0.191 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001159261799 815566496 /nfs/dbraw/zinc/56/64/96/815566496.db2.gz CQNPZDYJKAGGMV-GFCCVEGCSA-N 1 0 283.372 -0.237 20 30 CBEDRO COCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120475636 812972477 /nfs/dbraw/zinc/97/24/77/812972477.db2.gz OFRBBLFNJDBJQN-UHFFFAOYSA-N 1 0 294.355 -0.710 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@](C)(O)C1CC1 ZINC001120489664 812973663 /nfs/dbraw/zinc/97/36/63/812973663.db2.gz VEEIHTUZQUDNIS-OLZOCXBDSA-N 1 0 255.362 -0.057 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159255241 815566774 /nfs/dbraw/zinc/56/67/74/815566774.db2.gz APAVWZXFFBRBDF-UHFFFAOYSA-N 1 0 257.334 -0.579 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC001120496625 812976641 /nfs/dbraw/zinc/97/66/41/812976641.db2.gz GMYWITYVRFYWMW-SOUVJXGZSA-N 1 0 296.415 -0.354 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001120519979 812980874 /nfs/dbraw/zinc/98/08/74/812980874.db2.gz HFQAYVFFSXOKRX-BXUZGUMPSA-N 1 0 279.340 -0.908 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001120517712 812980976 /nfs/dbraw/zinc/98/09/76/812980976.db2.gz VBKJDQLPSGSCLZ-LBPRGKRZSA-N 1 0 283.372 -0.046 20 30 CBEDRO NC(=O)NC(=O)CC[NH2+]CC#C[C@H]1CCCCO1 ZINC001120523729 812981767 /nfs/dbraw/zinc/98/17/67/812981767.db2.gz HEWUMMQTXRDVST-SNVBAGLBSA-N 1 0 253.302 -0.267 20 30 CBEDRO N#CCCCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120522823 812982444 /nfs/dbraw/zinc/98/24/44/812982444.db2.gz IMZKZAODZAMDRZ-NWDGAFQWSA-N 1 0 278.356 -0.136 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001120529156 812983536 /nfs/dbraw/zinc/98/35/36/812983536.db2.gz LPQZNSLKJHGUSS-NSHDSACASA-N 1 0 289.401 -0.033 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001120530290 812984184 /nfs/dbraw/zinc/98/41/84/812984184.db2.gz YKBYPDNIRPDPAF-NXEZZACHSA-N 1 0 275.374 -0.506 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001120538691 812985561 /nfs/dbraw/zinc/98/55/61/812985561.db2.gz JPVQMMZHCMDNAN-LBPRGKRZSA-N 1 0 275.352 -0.414 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001120543506 812987549 /nfs/dbraw/zinc/98/75/49/812987549.db2.gz ZOCNKQGDZDQOGV-SRVKXCTJSA-N 1 0 281.356 -0.357 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001120582250 812995742 /nfs/dbraw/zinc/99/57/42/812995742.db2.gz HFMCKJOIIASWMI-GFCCVEGCSA-N 1 0 268.361 -0.595 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001120637897 813005354 /nfs/dbraw/zinc/00/53/54/813005354.db2.gz BCEOAAPUVJKQKC-PWSUYJOCSA-N 1 0 268.317 -0.701 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159320416 815569688 /nfs/dbraw/zinc/56/96/88/815569688.db2.gz UVMUAGZBBYUGAW-SNVBAGLBSA-N 1 0 290.327 -0.247 20 30 CBEDRO CCOC(=O)[C@H](C#N)Nc1ncnc2c1CC[NH2+]C2 ZINC001159319682 815569962 /nfs/dbraw/zinc/56/99/62/815569962.db2.gz AIOPTEQTZVPJCQ-VIFPVBQESA-N 1 0 261.285 -0.011 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCCN1C(=O)CCC1=O ZINC001159322457 815570065 /nfs/dbraw/zinc/57/00/65/815570065.db2.gz NNVRTLXTUWQORI-UHFFFAOYSA-N 1 0 279.340 -0.355 20 30 CBEDRO CC#CC[NH2+]C1CC2(CC(NC(=O)CC(N)=O)C2)C1 ZINC001120873563 813026083 /nfs/dbraw/zinc/02/60/83/813026083.db2.gz DGWHBNIOGACPJT-UHFFFAOYSA-N 1 0 263.341 -0.098 20 30 CBEDRO COc1nc(NCCOCCOCC[NH3+])ncc1C#N ZINC001159444524 815573860 /nfs/dbraw/zinc/57/38/60/815573860.db2.gz IHIYLGDUFSVWIT-UHFFFAOYSA-N 1 0 281.316 -0.239 20 30 CBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)CNC(=O)NC)C2)C1 ZINC001121199693 813053794 /nfs/dbraw/zinc/05/37/94/813053794.db2.gz CEXPFZNXAXDTNM-UHFFFAOYSA-N 1 0 292.383 -0.044 20 30 CBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)c3nnn(C)n3)C2)C1 ZINC001121549078 813070825 /nfs/dbraw/zinc/07/08/25/813070825.db2.gz YIXKSHDYPUYQRD-UHFFFAOYSA-N 1 0 288.355 -0.136 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1ccc(C(=O)OC)o1 ZINC001121880652 813081691 /nfs/dbraw/zinc/08/16/91/813081691.db2.gz VZKHDXCFQRWQSS-UHFFFAOYSA-N 1 0 250.254 -0.095 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC001121896868 813086091 /nfs/dbraw/zinc/08/60/91/813086091.db2.gz QAHXRISDAMJRQR-GHMZBOCLSA-N 1 0 266.345 -0.094 20 30 CBEDRO N#Cc1c(N[C@H](C#N)C(N)=O)ncc2c1CCC[NH2+]C2 ZINC001159469005 815576109 /nfs/dbraw/zinc/57/61/09/815576109.db2.gz RQQSENFMYXDYBG-LLVKDONJSA-N 1 0 270.296 -0.222 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccnc2c1CCN2 ZINC001122011400 813103991 /nfs/dbraw/zinc/10/39/91/813103991.db2.gz PDQLOEZJGAUTID-KWQFWETISA-N 1 0 257.297 -0.570 20 30 CBEDRO N#C[C@@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)C(N)=O ZINC001159473277 815576714 /nfs/dbraw/zinc/57/67/14/815576714.db2.gz CDYWLIXQMIVYNZ-SNVBAGLBSA-N 1 0 290.327 -0.356 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001122023134 813106481 /nfs/dbraw/zinc/10/64/81/813106481.db2.gz XXGOPCBCCGAEEI-DGCLKSJQSA-N 1 0 253.346 -0.571 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(CCC(=O)OC)[C@@H](C)C1 ZINC001122058557 813110659 /nfs/dbraw/zinc/11/06/59/813110659.db2.gz VFGCKQVHPKJLIO-LBPRGKRZSA-N 1 0 281.356 -0.695 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC001122054069 813110778 /nfs/dbraw/zinc/11/07/78/813110778.db2.gz IRHXODMUWCAXFX-SNVBAGLBSA-N 1 0 277.328 -0.922 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC001122153173 813125036 /nfs/dbraw/zinc/12/50/36/813125036.db2.gz CLRFMRLTLGURAP-WDEREUQCSA-N 1 0 252.314 -0.133 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001122165656 813127383 /nfs/dbraw/zinc/12/73/83/813127383.db2.gz KNWCVFDETJWASG-LLVKDONJSA-N 1 0 299.338 -0.958 20 30 CBEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C[C@@H](O)C[NH3+])C2 ZINC001122190669 813130514 /nfs/dbraw/zinc/13/05/14/813130514.db2.gz FFTKBAHQUCPATH-CHWSQXEVSA-N 1 0 259.309 -0.149 20 30 CBEDRO C[NH2+]CCCCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001122228331 813136608 /nfs/dbraw/zinc/13/66/08/813136608.db2.gz RZPFWNXOAJCCEW-YPMHNXCESA-N 1 0 299.396 -0.227 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC001122248222 813137772 /nfs/dbraw/zinc/13/77/72/813137772.db2.gz NCRSPDVLILWLSO-SMDDNHRTSA-N 1 0 279.340 -0.054 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H](CSC)C(=O)OCC ZINC001122252021 813138396 /nfs/dbraw/zinc/13/83/96/813138396.db2.gz IHSOHWWXFHYUBH-SECBINFHSA-N 1 0 258.343 -0.380 20 30 CBEDRO C=CC(C)(C)NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122328914 813147343 /nfs/dbraw/zinc/14/73/43/813147343.db2.gz ZEIKMVQAFWPBLX-VIFPVBQESA-N 1 0 251.330 -0.113 20 30 CBEDRO C[NH+](C)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)nc1 ZINC001122543958 813174431 /nfs/dbraw/zinc/17/44/31/813174431.db2.gz PVSSILUYUDPBFG-CYBMUJFWSA-N 1 0 291.355 -0.206 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccnc1 ZINC001122654627 813182246 /nfs/dbraw/zinc/18/22/46/813182246.db2.gz JXYKNKCCUNQACC-LLVKDONJSA-N 1 0 274.324 -0.461 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1 ZINC001122765731 813189733 /nfs/dbraw/zinc/18/97/33/813189733.db2.gz NZGLDVPWGHFTTE-UHFFFAOYSA-N 1 0 259.309 -0.245 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CCCCC1 ZINC001122813217 813191238 /nfs/dbraw/zinc/19/12/38/813191238.db2.gz AKVSDTALMMYHBA-UHFFFAOYSA-N 1 0 266.345 -0.088 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001159831654 815600270 /nfs/dbraw/zinc/60/02/70/815600270.db2.gz RGSYHMCDRCOQRV-NSHDSACASA-N 1 0 272.370 -0.317 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)NC(C)=O)C1=O ZINC001123072190 813210850 /nfs/dbraw/zinc/21/08/50/813210850.db2.gz LZJAYSHAYCTRLW-CMPLNLGQSA-N 1 0 296.371 -0.996 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H](C)NC(C)=O ZINC001123083578 813213637 /nfs/dbraw/zinc/21/36/37/813213637.db2.gz RWZNCQJEJROLJJ-SNVBAGLBSA-N 1 0 257.334 -0.581 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C)o1 ZINC001123104230 813215493 /nfs/dbraw/zinc/21/54/93/813215493.db2.gz HPJNMGSNJGYNFK-UHFFFAOYSA-N 1 0 263.297 -0.343 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123186821 813222905 /nfs/dbraw/zinc/22/29/05/813222905.db2.gz NIZYDZVDJAETHE-UHFFFAOYSA-N 1 0 264.285 -0.948 20 30 CBEDRO C#CC[NH+]1CCC(OC(=O)CN(C)S(C)(=O)=O)CC1 ZINC001123249734 813226294 /nfs/dbraw/zinc/22/62/94/813226294.db2.gz BASWHSAUYBVVAO-UHFFFAOYSA-N 1 0 288.369 -0.481 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1C=CCC1 ZINC001123296518 813229725 /nfs/dbraw/zinc/22/97/25/813229725.db2.gz JOWXKVLJCRELNT-LBPRGKRZSA-N 1 0 263.341 -0.202 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123342044 813233314 /nfs/dbraw/zinc/23/33/14/813233314.db2.gz ZCSJWLMSFRBXGW-UHFFFAOYSA-N 1 0 269.345 -0.483 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123353425 813234435 /nfs/dbraw/zinc/23/44/35/813234435.db2.gz IDMRKNYHDVFVMR-UHFFFAOYSA-N 1 0 250.302 -0.611 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCC1=CC[N@H+](CC#C)CC1 ZINC001159891948 815603303 /nfs/dbraw/zinc/60/33/03/815603303.db2.gz XRHMIAFOOUJRNN-UHFFFAOYSA-N 1 0 287.363 -0.103 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccoc1 ZINC001123501781 813244993 /nfs/dbraw/zinc/24/49/93/813244993.db2.gz OEWARLKBWMWDOG-UHFFFAOYSA-N 1 0 251.286 -0.099 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cccn1 ZINC001123535216 813247835 /nfs/dbraw/zinc/24/78/35/813247835.db2.gz MGVQGBGULUCHPB-NSHDSACASA-N 1 0 279.344 -0.720 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(C)(C)C ZINC001123618373 813254580 /nfs/dbraw/zinc/25/45/80/813254580.db2.gz VBDCUSRVILYQHF-UHFFFAOYSA-N 1 0 253.346 -0.122 20 30 CBEDRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001123633979 813254794 /nfs/dbraw/zinc/25/47/94/813254794.db2.gz BCMHWXMDBMGJOQ-UHFFFAOYSA-N 1 0 275.312 -0.651 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccn1C ZINC001123655170 813257869 /nfs/dbraw/zinc/25/78/69/813257869.db2.gz VWZGVPXSIIYAFQ-LLVKDONJSA-N 1 0 276.340 -0.518 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCn1cncn1 ZINC001123670209 813259354 /nfs/dbraw/zinc/25/93/54/813259354.db2.gz BEDACIYWBBWCTM-UHFFFAOYSA-N 1 0 267.333 -0.423 20 30 CBEDRO C=C[C@H](CO)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001123695354 813262682 /nfs/dbraw/zinc/26/26/82/813262682.db2.gz ROWSXYBNPRCMIE-QJPTWQEYSA-N 1 0 270.377 -0.533 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)CC ZINC001123764624 813269083 /nfs/dbraw/zinc/26/90/83/813269083.db2.gz AOYNWAAFDGZOJD-JTQLQIEISA-N 1 0 284.360 -0.250 20 30 CBEDRO CCNC(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123791975 813272418 /nfs/dbraw/zinc/27/24/18/813272418.db2.gz BYHDPRFTMFLLSS-UHFFFAOYSA-N 1 0 258.347 -0.915 20 30 CBEDRO CN1CCC[C@H]([NH2+]CCNC(=O)CSCC#N)C1=O ZINC001123792236 813272637 /nfs/dbraw/zinc/27/26/37/813272637.db2.gz ODTDNDKPGOYNLT-JTQLQIEISA-N 1 0 284.385 -0.430 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001123786571 813272900 /nfs/dbraw/zinc/27/29/00/813272900.db2.gz BSZQSQRTQALUPO-UHFFFAOYSA-N 1 0 298.412 -0.039 20 30 CBEDRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123792210 813272951 /nfs/dbraw/zinc/27/29/51/813272951.db2.gz MYQVXKYJCRKORE-UHFFFAOYSA-N 1 0 286.401 -0.184 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001123799197 813274118 /nfs/dbraw/zinc/27/41/18/813274118.db2.gz LWIOFZJRXWFUPF-UHFFFAOYSA-N 1 0 284.385 -0.429 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001123805205 813274449 /nfs/dbraw/zinc/27/44/49/813274449.db2.gz LLSUNYBAOKBPLS-NSHDSACASA-N 1 0 297.384 -0.793 20 30 CBEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001123794506 813274598 /nfs/dbraw/zinc/27/45/98/813274598.db2.gz KZRBARCLLLNTLU-YNEHKIRRSA-N 1 0 284.404 -0.143 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCOC(C)C ZINC001123834676 813278439 /nfs/dbraw/zinc/27/84/39/813278439.db2.gz IBDRHKHQAAKKCZ-UHFFFAOYSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)n1cccn1 ZINC001123910529 813292313 /nfs/dbraw/zinc/29/23/13/813292313.db2.gz AATZQLHXUCOVNA-NSHDSACASA-N 1 0 279.344 -0.548 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123910787 813292852 /nfs/dbraw/zinc/29/28/52/813292852.db2.gz FRIYVVMUILHUFL-SECBINFHSA-N 1 0 265.317 -0.580 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)SC ZINC001123951267 813299883 /nfs/dbraw/zinc/29/98/83/813299883.db2.gz ZDRHAAQOMDSTLK-NXEZZACHSA-N 1 0 271.386 -0.418 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)SC ZINC001123951270 813300093 /nfs/dbraw/zinc/30/00/93/813300093.db2.gz ZDRHAAQOMDSTLK-ZJUUUORDSA-N 1 0 271.386 -0.418 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCOCC(C)C ZINC001123988333 813384494 /nfs/dbraw/zinc/38/44/94/813384494.db2.gz ISXAOUXHFKZZDN-CYBMUJFWSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCO1 ZINC001124021312 813390562 /nfs/dbraw/zinc/39/05/62/813390562.db2.gz USMZRXHBOSKZFA-VXGBXAGGSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC1CC1 ZINC001124026002 813392757 /nfs/dbraw/zinc/39/27/57/813392757.db2.gz KAJVVNYAZRGJGK-LLVKDONJSA-N 1 0 281.356 -0.743 20 30 CBEDRO Cc1ncsc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124042389 813395498 /nfs/dbraw/zinc/39/54/98/813395498.db2.gz VSKAKQNAEZRLPU-UHFFFAOYSA-N 1 0 281.341 -0.589 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncnc1C ZINC001124125137 813409156 /nfs/dbraw/zinc/40/91/56/813409156.db2.gz LDTUFLJBVCNWTN-LLVKDONJSA-N 1 0 289.339 -0.758 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnsn2)C1=O ZINC001124159946 813413027 /nfs/dbraw/zinc/41/30/27/813413027.db2.gz WKAGHUKQVIAFJE-SECBINFHSA-N 1 0 295.368 -0.356 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccon1 ZINC001124190798 813417153 /nfs/dbraw/zinc/41/71/53/813417153.db2.gz GMNYKGQYCXKFPT-VIFPVBQESA-N 1 0 266.301 -0.315 20 30 CBEDRO C/C(=C\C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001124216956 813420249 /nfs/dbraw/zinc/42/02/49/813420249.db2.gz GSJZHFMEMRFJEX-CSKARUKUSA-N 1 0 264.329 -0.312 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncs1 ZINC001124252494 813423497 /nfs/dbraw/zinc/42/34/97/813423497.db2.gz PQPRVIAAQZFZFE-SECBINFHSA-N 1 0 280.353 -0.400 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc(C)cn1 ZINC001124335334 813434032 /nfs/dbraw/zinc/43/40/32/813434032.db2.gz OEOSZCRFAMSBSC-GFCCVEGCSA-N 1 0 293.371 -0.412 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001124495107 813446180 /nfs/dbraw/zinc/44/61/80/813446180.db2.gz MSWKOQKTZZKQDB-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124488064 813446200 /nfs/dbraw/zinc/44/62/00/813446200.db2.gz JJAWWZJAWOWNBR-LBPRGKRZSA-N 1 0 298.387 -0.301 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001124493915 813446511 /nfs/dbraw/zinc/44/65/11/813446511.db2.gz BYBLPKYITMAYKZ-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccnn1C ZINC001124544788 813454036 /nfs/dbraw/zinc/45/40/36/813454036.db2.gz RLJMTRVOVOHFGL-UHFFFAOYSA-N 1 0 250.302 -0.611 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnn1C ZINC001124562436 813455113 /nfs/dbraw/zinc/45/51/13/813455113.db2.gz XVJSKXACJBCWAY-SNVBAGLBSA-N 1 0 279.344 -0.570 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)OC ZINC001124606931 813458993 /nfs/dbraw/zinc/45/89/93/813458993.db2.gz JRGBHUBGAZHRFT-QWRGUYRKSA-N 1 0 269.345 -0.745 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)OC ZINC001124622822 813460540 /nfs/dbraw/zinc/46/05/40/813460540.db2.gz WZKNSIMIDILWBR-SNVBAGLBSA-N 1 0 257.334 -0.581 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124650454 813462238 /nfs/dbraw/zinc/46/22/38/813462238.db2.gz INCDRSWZFAISLY-UHFFFAOYSA-N 1 0 267.329 -0.193 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001124646732 813462333 /nfs/dbraw/zinc/46/23/33/813462333.db2.gz ZNQXNJLNCRWNFW-UHFFFAOYSA-N 1 0 294.355 -0.744 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001124646057 813462769 /nfs/dbraw/zinc/46/27/69/813462769.db2.gz FPHYHSIFZHTTSX-LBPRGKRZSA-N 1 0 283.372 -0.189 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124667810 813463740 /nfs/dbraw/zinc/46/37/40/813463740.db2.gz AKDVAEZYTNIKPU-GHMZBOCLSA-N 1 0 270.329 -0.296 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)COC ZINC001124748463 813475443 /nfs/dbraw/zinc/47/54/43/813475443.db2.gz DRMDQAUHJQXJFR-SNVBAGLBSA-N 1 0 257.334 -0.723 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001124765038 813476384 /nfs/dbraw/zinc/47/63/84/813476384.db2.gz ITAOUAIZNVSOMQ-GFCCVEGCSA-N 1 0 299.371 -0.810 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001124767830 813477652 /nfs/dbraw/zinc/47/76/52/813477652.db2.gz LSBDHIYPGOVSAX-LBPRGKRZSA-N 1 0 283.372 -0.189 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC=C ZINC001124773249 813477766 /nfs/dbraw/zinc/47/77/66/813477766.db2.gz POBLAINVRADJAL-LLVKDONJSA-N 1 0 267.329 -0.967 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124772907 813477915 /nfs/dbraw/zinc/47/79/15/813477915.db2.gz LOZKMAYFZXCDCB-UHFFFAOYSA-N 1 0 283.328 -0.956 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001124773415 813478258 /nfs/dbraw/zinc/47/82/58/813478258.db2.gz RETHDWZYWZKOAF-JTQLQIEISA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001124765429 813478615 /nfs/dbraw/zinc/47/86/15/813478615.db2.gz XSYXKWUYDIPWAH-UHFFFAOYSA-N 1 0 252.318 -0.172 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124765360 813478716 /nfs/dbraw/zinc/47/87/16/813478716.db2.gz UXNWEKIBZFYRGX-UHFFFAOYSA-N 1 0 269.345 -0.483 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001124765397 813478802 /nfs/dbraw/zinc/47/88/02/813478802.db2.gz WIOWOAILHPVEBG-UHFFFAOYSA-N 1 0 299.356 -0.615 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001124765361 813478822 /nfs/dbraw/zinc/47/88/22/813478822.db2.gz UYAZTPDLIGJVAD-UHFFFAOYSA-N 1 0 253.306 -0.777 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001124777457 813480030 /nfs/dbraw/zinc/48/00/30/813480030.db2.gz BSJVQKITWYNLKK-UHFFFAOYSA-N 1 0 283.372 -0.093 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C)[nH]1 ZINC001124843325 813487777 /nfs/dbraw/zinc/48/77/77/813487777.db2.gz QFFBOELDAXSSSM-SECBINFHSA-N 1 0 277.328 -0.825 20 30 CBEDRO CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124888514 813496191 /nfs/dbraw/zinc/49/61/91/813496191.db2.gz LCIQMBZKDBMEJY-VIFPVBQESA-N 1 0 283.332 -0.912 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001124890489 813496421 /nfs/dbraw/zinc/49/64/21/813496421.db2.gz YAOJOGWKFBYHGD-JTQLQIEISA-N 1 0 266.345 -0.089 20 30 CBEDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)C#N)nn1 ZINC001124889814 813496463 /nfs/dbraw/zinc/49/64/63/813496463.db2.gz UKWSXJLZXKDDAT-SECBINFHSA-N 1 0 263.301 -0.149 20 30 CBEDRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N)on1 ZINC001124889796 813496603 /nfs/dbraw/zinc/49/66/03/813496603.db2.gz UGQJGIPLZPRJHF-QMMMGPOBSA-N 1 0 279.300 -0.213 20 30 CBEDRO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124888987 813496704 /nfs/dbraw/zinc/49/67/04/813496704.db2.gz NUDWZUZYVSSQPM-BDAKNGLRSA-N 1 0 283.332 -0.914 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124889637 813497104 /nfs/dbraw/zinc/49/71/04/813497104.db2.gz SDVQKJJJOWXPTP-NSHDSACASA-N 1 0 279.344 -0.386 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001124896170 813497939 /nfs/dbraw/zinc/49/79/39/813497939.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn(C)nc1C ZINC001124986818 813508085 /nfs/dbraw/zinc/50/80/85/813508085.db2.gz YRORKKKBRLDIPS-NSHDSACASA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COCCCC ZINC001125078322 813514258 /nfs/dbraw/zinc/51/42/58/813514258.db2.gz OVNYNGHHJUQREY-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC1CCOCC1 ZINC001125051011 813514616 /nfs/dbraw/zinc/51/46/16/813514616.db2.gz XPFWBGAUOUBNQP-UHFFFAOYSA-N 1 0 281.356 -0.742 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)CC(N)=O)cc1F ZINC001125080044 813515989 /nfs/dbraw/zinc/51/59/89/813515989.db2.gz MMJCVAGFFGAZOX-UHFFFAOYSA-N 1 0 278.287 -0.221 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC=CC1 ZINC001125135320 813524383 /nfs/dbraw/zinc/52/43/83/813524383.db2.gz LLCQWZHYJIXUHD-LLVKDONJSA-N 1 0 263.341 -0.204 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCOC1 ZINC001125128994 813524622 /nfs/dbraw/zinc/52/46/22/813524622.db2.gz ITZIBFDVXONAHV-VXGBXAGGSA-N 1 0 281.356 -0.743 20 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20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125308480 813542045 /nfs/dbraw/zinc/54/20/45/813542045.db2.gz FEHOTUHGWMHDAK-JTQLQIEISA-N 1 0 292.339 -0.203 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125308320 813542888 /nfs/dbraw/zinc/54/28/88/813542888.db2.gz BXKVPZPPLGLDFG-SNVBAGLBSA-N 1 0 290.323 -0.756 20 30 CBEDRO Cc1cc(C)c(C(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001125402445 813547756 /nfs/dbraw/zinc/54/77/56/813547756.db2.gz ZDLCCGYLGYSPJL-UHFFFAOYSA-N 1 0 278.312 -0.144 20 30 CBEDRO CC[C@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001125370228 813547844 /nfs/dbraw/zinc/54/78/44/813547844.db2.gz KKXHSVUJKZCNIJ-VIFPVBQESA-N 1 0 263.301 -0.530 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCc1nnc[nH]1 ZINC001125408950 813547898 /nfs/dbraw/zinc/54/78/98/813547898.db2.gz HSBKGXZAIDHRQY-UHFFFAOYSA-N 1 0 267.333 -0.354 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+]CCN2CCNC2=O)c1 ZINC001125361135 813548467 /nfs/dbraw/zinc/54/84/67/813548467.db2.gz PWELRAXZIMYART-UHFFFAOYSA-N 1 0 290.327 -0.769 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125370896 813548608 /nfs/dbraw/zinc/54/86/08/813548608.db2.gz YQIRMWADUWQNCS-SNVBAGLBSA-N 1 0 289.339 -0.104 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC(F)(F)C1 ZINC001125504141 813555322 /nfs/dbraw/zinc/55/53/22/813555322.db2.gz IQQVAIAVPSWLPN-VIFPVBQESA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCCO1 ZINC001125542787 813557637 /nfs/dbraw/zinc/55/76/37/813557637.db2.gz WQPHNZKLMINABD-OLZOCXBDSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncc(F)c1 ZINC001125582365 813559994 /nfs/dbraw/zinc/55/99/94/813559994.db2.gz PGDWOWKHXIAVMH-SNVBAGLBSA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C=C1CCC1 ZINC001125561696 813560874 /nfs/dbraw/zinc/56/08/74/813560874.db2.gz MMPUBGVFPYRPIY-NSHDSACASA-N 1 0 263.341 -0.060 20 30 CBEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)oc1C ZINC001125694461 813572333 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CC1(C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125784106 813580921 /nfs/dbraw/zinc/58/09/21/813580921.db2.gz WEYKYWXCAHPPOB-SECBINFHSA-N 1 0 252.318 -0.622 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)[nH]1 ZINC001125776414 813581375 /nfs/dbraw/zinc/58/13/75/813581375.db2.gz NQCNRELKNICRQM-SNVBAGLBSA-N 1 0 275.312 -0.516 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC1(C)C ZINC001125814206 813583149 /nfs/dbraw/zinc/58/31/49/813583149.db2.gz QZCGXQLIMBCTJT-GHMZBOCLSA-N 1 0 265.357 -0.124 20 30 CBEDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001125813411 813583430 /nfs/dbraw/zinc/58/34/30/813583430.db2.gz ACJYDSWMCXWGRR-SECBINFHSA-N 1 0 263.301 -0.530 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+]CCN2CCCC2=O)[nH]1 ZINC001125814098 813583811 /nfs/dbraw/zinc/58/38/11/813583811.db2.gz QAYNQBAWODEEAV-UHFFFAOYSA-N 1 0 289.339 -0.172 20 30 CBEDRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125814212 813583819 /nfs/dbraw/zinc/58/38/19/813583819.db2.gz 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C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132568950 814164842 /nfs/dbraw/zinc/16/48/42/814164842.db2.gz IHXLOVLLLSAPHF-MNOVXSKESA-N 1 0 266.345 -0.210 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132591269 814165560 /nfs/dbraw/zinc/16/55/60/814165560.db2.gz KWKJEWRTPYYRLI-UHFFFAOYSA-N 1 0 264.329 -0.474 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001132591688 814166273 /nfs/dbraw/zinc/16/62/73/814166273.db2.gz UNGBUWFLNRLRSQ-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132577885 814166440 /nfs/dbraw/zinc/16/64/40/814166440.db2.gz FSLHRKZYQYQUKM-CMPLNLGQSA-N 1 0 266.345 -0.280 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132616644 814172775 /nfs/dbraw/zinc/17/27/75/814172775.db2.gz CEIRNOIMIBDDNM-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C ZINC001132616781 814172930 /nfs/dbraw/zinc/17/29/30/814172930.db2.gz FLBPSJWKPSUROF-VXGBXAGGSA-N 1 0 278.360 -0.067 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@H]1C ZINC001132617843 814173014 /nfs/dbraw/zinc/17/30/14/814173014.db2.gz NYWPKGLQRZNJBV-OLZOCXBDSA-N 1 0 290.371 -0.229 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001132663078 814177479 /nfs/dbraw/zinc/17/74/79/814177479.db2.gz PCOQAQQYHCJBNO-NXEZZACHSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132667658 814177665 /nfs/dbraw/zinc/17/76/65/814177665.db2.gz PYGYITIGBIZTJW-LLVKDONJSA-N 1 0 266.345 -0.066 20 30 CBEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132663197 814177768 /nfs/dbraw/zinc/17/77/68/814177768.db2.gz ROWPNFIPWNGRBG-NSHDSACASA-N 1 0 296.371 -0.154 20 30 CBEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132663196 814177829 /nfs/dbraw/zinc/17/78/29/814177829.db2.gz ROWPNFIPWNGRBG-LLVKDONJSA-N 1 0 296.371 -0.154 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132709166 814179874 /nfs/dbraw/zinc/17/98/74/814179874.db2.gz JWWNDVOBQKVEJF-NWDGAFQWSA-N 1 0 283.372 -0.252 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132718462 814180782 /nfs/dbraw/zinc/18/07/82/814180782.db2.gz MKRRHTSRLABDNJ-CYBMUJFWSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC(=O)N1C ZINC001132767614 814188085 /nfs/dbraw/zinc/18/80/85/814188085.db2.gz MBAWGXBLJRLZRT-GHMZBOCLSA-N 1 0 296.371 -0.996 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132828304 814192401 /nfs/dbraw/zinc/19/24/01/814192401.db2.gz QBSMWAUDCLXSOK-NEPJUHHUSA-N 1 0 278.360 -0.067 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@]2(F)CCOC2)C1=O ZINC001132852024 814194416 /nfs/dbraw/zinc/19/44/16/814194416.db2.gz FYHAORCRYVWOJB-BXUZGUMPSA-N 1 0 299.346 -0.392 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132896220 814199037 /nfs/dbraw/zinc/19/90/37/814199037.db2.gz UWWBWCFHQCFZLA-JTQLQIEISA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009715 814209262 /nfs/dbraw/zinc/20/92/62/814209262.db2.gz QGQKNLZCTTTWNQ-UHFFFAOYSA-N 1 0 266.301 -0.708 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccnc1C ZINC001133111852 814215303 /nfs/dbraw/zinc/21/53/03/814215303.db2.gz QBWSKNGSTURKKA-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001133154676 814220727 /nfs/dbraw/zinc/22/07/27/814220727.db2.gz PMLXYMPIWVUMMO-UHFFFAOYSA-N 1 0 284.360 -0.106 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133145139 814221345 /nfs/dbraw/zinc/22/13/45/814221345.db2.gz QSWYUBQCBFFIFO-UHFFFAOYSA-N 1 0 282.344 -0.400 20 30 CBEDRO Cc1cccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001133182434 814222108 /nfs/dbraw/zinc/22/21/08/814222108.db2.gz DZRNCFLKPMZDKY-UHFFFAOYSA-N 1 0 288.351 -0.117 20 30 CBEDRO N#Cc1cc(C[NH2+]CCNC(=O)C(N)=O)ccc1F ZINC001133205936 814230294 /nfs/dbraw/zinc/23/02/94/814230294.db2.gz DEJZSAUBXJUKCS-UHFFFAOYSA-N 1 0 264.260 -0.612 20 30 CBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C(F)(F)F ZINC001133225208 814231655 /nfs/dbraw/zinc/23/16/55/814231655.db2.gz SYXSSHKHNOTPCA-MRVPVSSYSA-N 1 0 294.277 -0.080 20 30 CBEDRO C[C@@H]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001133318610 814239792 /nfs/dbraw/zinc/23/97/92/814239792.db2.gz NROZPXMOYWMDKA-GHMZBOCLSA-N 1 0 282.344 -0.710 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[C@H](C)O1 ZINC001133324426 814241407 /nfs/dbraw/zinc/24/14/07/814241407.db2.gz VYJARWSDNDJBBZ-NWDGAFQWSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@@H]1C ZINC001133342997 814243204 /nfs/dbraw/zinc/24/32/04/814243204.db2.gz MXNVRYBZAJRBQW-QWRGUYRKSA-N 1 0 251.330 -0.512 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001133383057 814248071 /nfs/dbraw/zinc/24/80/71/814248071.db2.gz GQFJJUAKOLYZII-ZANVPECISA-N 1 0 284.360 -0.122 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2n[nH]cc2F)C1=O ZINC001133467296 814256615 /nfs/dbraw/zinc/25/66/15/814256615.db2.gz CTHIOCFUJJQWDI-SNVBAGLBSA-N 1 0 295.318 -0.345 20 30 CBEDRO COCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133485301 814260752 /nfs/dbraw/zinc/26/07/52/814260752.db2.gz AYQLBYBPWUSFDP-QWRGUYRKSA-N 1 0 284.360 -0.464 20 30 CBEDRO C[C@@H]1COCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133497435 814264480 /nfs/dbraw/zinc/26/44/80/814264480.db2.gz QMKHIURBHNZREB-GHMZBOCLSA-N 1 0 282.344 -0.995 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133515546 814268596 /nfs/dbraw/zinc/26/85/96/814268596.db2.gz QZAOGXDNMPMCCM-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001133523792 814270348 /nfs/dbraw/zinc/27/03/48/814270348.db2.gz GBLLDCLLNAMLNT-NWDGAFQWSA-N 1 0 281.356 -0.743 20 30 CBEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC001133530090 814272293 /nfs/dbraw/zinc/27/22/93/814272293.db2.gz ZWQXMKLUFJPKHR-QWRGUYRKSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133571067 814272789 /nfs/dbraw/zinc/27/27/89/814272789.db2.gz FJXHJWSIHJTFRJ-JTQLQIEISA-N 1 0 279.340 -0.146 20 30 CBEDRO CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133622538 814277873 /nfs/dbraw/zinc/27/78/73/814277873.db2.gz HKRKZMRFODXONH-QWRGUYRKSA-N 1 0 284.360 -0.464 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CC2(CC2)C1 ZINC001133646312 814281764 /nfs/dbraw/zinc/28/17/64/814281764.db2.gz DXPJQRVGOIHFCQ-UHFFFAOYSA-N 1 0 264.329 -0.478 20 30 CBEDRO CSCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133641690 814281855 /nfs/dbraw/zinc/28/18/55/814281855.db2.gz XBJRNYHTOGNEPG-ZJUUUORDSA-N 1 0 286.401 -0.138 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(=O)cc1C ZINC001133651069 814282012 /nfs/dbraw/zinc/28/20/12/814282012.db2.gz IVUGPYKYUGMJKB-UHFFFAOYSA-N 1 0 292.339 -0.283 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)c1ccco1 ZINC001133726996 814289010 /nfs/dbraw/zinc/28/90/10/814289010.db2.gz BDQHKJOJGRJSIJ-NSHDSACASA-N 1 0 277.324 -0.162 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133746496 814290927 /nfs/dbraw/zinc/29/09/27/814290927.db2.gz YRSLJZBQCYDLRK-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccco1 ZINC001133727944 814291056 /nfs/dbraw/zinc/29/10/56/814291056.db2.gz MFDKMZCTHGOLLM-SNVBAGLBSA-N 1 0 278.312 -0.271 20 30 CBEDRO COCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133793634 814297477 /nfs/dbraw/zinc/29/74/77/814297477.db2.gz HTUUAUTUKPMGKT-VXGBXAGGSA-N 1 0 298.387 -0.074 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cccnc1C ZINC001133806659 814297639 /nfs/dbraw/zinc/29/76/39/814297639.db2.gz XHTWJPUJHZVRSM-UHFFFAOYSA-N 1 0 290.367 -0.059 20 30 CBEDRO COCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133793633 814297673 /nfs/dbraw/zinc/29/76/73/814297673.db2.gz HTUUAUTUKPMGKT-RYUDHWBXSA-N 1 0 298.387 -0.074 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001133815866 814299463 /nfs/dbraw/zinc/29/94/63/814299463.db2.gz FXDKIDGVAIDKHW-UWVGGRQHSA-N 1 0 293.327 -0.199 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001133815893 814299603 /nfs/dbraw/zinc/29/96/03/814299603.db2.gz GEMYWKYRBCEIKJ-GHMZBOCLSA-N 1 0 292.339 -0.090 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001133815865 814299702 /nfs/dbraw/zinc/29/97/02/814299702.db2.gz FXDKIDGVAIDKHW-NXEZZACHSA-N 1 0 293.327 -0.199 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn[nH]c1 ZINC001133826720 814303344 /nfs/dbraw/zinc/30/33/44/814303344.db2.gz VGYUNZYNFBNADM-MNOVXSKESA-N 1 0 291.355 -0.354 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133849395 814308168 /nfs/dbraw/zinc/30/81/68/814308168.db2.gz WVINTODSYPXGPQ-GHMZBOCLSA-N 1 0 274.386 -0.073 20 30 CBEDRO CC(C)OCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133853026 814309160 /nfs/dbraw/zinc/30/91/60/814309160.db2.gz KPEFSNXGOBXKOY-RYUDHWBXSA-N 1 0 298.387 -0.076 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CCOCC1 ZINC001133860191 814310127 /nfs/dbraw/zinc/31/01/27/814310127.db2.gz WCANACKLDJORDS-UHFFFAOYSA-N 1 0 299.346 -0.792 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnnn1C ZINC001133920858 814325475 /nfs/dbraw/zinc/32/54/75/814325475.db2.gz KUWPVJYTZZYZJP-WDEREUQCSA-N 1 0 296.375 -0.214 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1cocn1)[NH2+]CC(=O)NCC#N ZINC001133943871 814327818 /nfs/dbraw/zinc/32/78/18/814327818.db2.gz ZCJPOMAAJZKWLY-ZJUUUORDSA-N 1 0 293.327 -0.199 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001133943993 814328280 /nfs/dbraw/zinc/32/82/80/814328280.db2.gz YLVKSPUGJTYURU-OLZOCXBDSA-N 1 0 286.335 -0.115 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001134006262 814336812 /nfs/dbraw/zinc/33/68/12/814336812.db2.gz NASCJRDICLJPEG-UHFFFAOYSA-N 1 0 264.329 -0.453 20 30 CBEDRO CC[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134066482 814348429 /nfs/dbraw/zinc/34/84/29/814348429.db2.gz PVJNDDXOCNHUBJ-NXEZZACHSA-N 1 0 252.318 -0.622 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC ZINC001134072318 814348715 /nfs/dbraw/zinc/34/87/15/814348715.db2.gz RAWNVWCKGLJODY-IJLUTSLNSA-N 1 0 265.357 -0.124 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134096735 814350483 /nfs/dbraw/zinc/35/04/83/814350483.db2.gz ZLEFOGAIIDXKFV-GRYCIOLGSA-N 1 0 283.372 -0.050 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134090216 814350556 /nfs/dbraw/zinc/35/05/56/814350556.db2.gz IKLBQSFSDJDILC-UHFFFAOYSA-N 1 0 262.313 -0.006 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134135433 814355352 /nfs/dbraw/zinc/35/53/52/814355352.db2.gz UJHJXCPQFOTFLW-WDEREUQCSA-N 1 0 279.344 -0.120 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134409 814355922 /nfs/dbraw/zinc/35/59/22/814355922.db2.gz HGHHAUYUVPLDHI-WDEREUQCSA-N 1 0 279.344 -0.120 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134135430 814356238 /nfs/dbraw/zinc/35/62/38/814356238.db2.gz UJHJXCPQFOTFLW-GHMZBOCLSA-N 1 0 279.344 -0.120 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134150569 814357711 /nfs/dbraw/zinc/35/77/11/814357711.db2.gz KCQNRBKGNWCYRJ-UHFFFAOYSA-N 1 0 274.324 -0.460 20 30 CBEDRO C#CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134201360 814363429 /nfs/dbraw/zinc/36/34/29/814363429.db2.gz OBRCMUFWTYUGRG-GHMZBOCLSA-N 1 0 296.371 -0.142 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134262152 814366017 /nfs/dbraw/zinc/36/60/17/814366017.db2.gz WBOWRBREGPOFPJ-RYUDHWBXSA-N 1 0 293.371 -0.049 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1Cc2ccccc2C1 ZINC001134269662 814367269 /nfs/dbraw/zinc/36/72/69/814367269.db2.gz MTWMHQXUTMVHNP-UHFFFAOYSA-N 1 0 299.374 -0.143 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134288245 814369477 /nfs/dbraw/zinc/36/94/77/814369477.db2.gz HCWAAVVZOPOGTP-RYUDHWBXSA-N 1 0 293.371 -0.049 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134292213 814371187 /nfs/dbraw/zinc/37/11/87/814371187.db2.gz UZOYGLZOOCKRLU-SNVBAGLBSA-N 1 0 277.328 -0.513 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001134294262 814372470 /nfs/dbraw/zinc/37/24/70/814372470.db2.gz QBONMVHOINTGOP-NXEZZACHSA-N 1 0 292.343 -0.464 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134317589 814373930 /nfs/dbraw/zinc/37/39/30/814373930.db2.gz LBBBKWGQLSYOFN-WDEREUQCSA-N 1 0 296.371 -0.286 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353040 814375219 /nfs/dbraw/zinc/37/52/19/814375219.db2.gz QWCYFUMVIGCKJO-GHMZBOCLSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134351894 814375231 /nfs/dbraw/zinc/37/52/31/814375231.db2.gz LTXYVGONYAVCSZ-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353043 814376612 /nfs/dbraw/zinc/37/66/12/814376612.db2.gz QWCYFUMVIGCKJO-WDEREUQCSA-N 1 0 291.417 -0.015 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134360033 814377015 /nfs/dbraw/zinc/37/70/15/814377015.db2.gz NWZZNBYAPUGQIV-VIFPVBQESA-N 1 0 263.363 -0.794 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001134353250 814377451 /nfs/dbraw/zinc/37/74/51/814377451.db2.gz XQASKXVSGVLVTH-QWRGUYRKSA-N 1 0 269.345 -0.616 20 30 CBEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001134412111 814383133 /nfs/dbraw/zinc/38/31/33/814383133.db2.gz VCRDGMGNCIWHON-UHFFFAOYSA-N 1 0 284.360 -0.250 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1nccn1 ZINC001134462333 814385962 /nfs/dbraw/zinc/38/59/62/814385962.db2.gz SEICTYWDTIRSPC-CHWSQXEVSA-N 1 0 293.371 -0.199 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134462334 814386492 /nfs/dbraw/zinc/38/64/92/814386492.db2.gz SEICTYWDTIRSPC-OLZOCXBDSA-N 1 0 293.371 -0.199 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505248 814389795 /nfs/dbraw/zinc/38/97/95/814389795.db2.gz 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C=CCn1cc(C(=O)NCC[NH2+]CCOCCOC)nn1 ZINC001134970253 814427857 /nfs/dbraw/zinc/42/78/57/814427857.db2.gz RAQCZLQZQUJCNH-UHFFFAOYSA-N 1 0 297.359 -0.554 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135058016 814433032 /nfs/dbraw/zinc/43/30/32/814433032.db2.gz AOQXIWZHHPMLMG-LLVKDONJSA-N 1 0 293.371 -0.261 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001135080499 814437568 /nfs/dbraw/zinc/43/75/68/814437568.db2.gz VIQWCSMKWWAOGC-LBPRGKRZSA-N 1 0 278.356 -0.056 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001135098948 814438260 /nfs/dbraw/zinc/43/82/60/814438260.db2.gz AEJJYMBGQNGHOA-QWHCGFSZSA-N 1 0 277.368 -0.122 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135093658 814438274 /nfs/dbraw/zinc/43/82/74/814438274.db2.gz XDTHLXIIDUIPCV-VXGBXAGGSA-N 1 0 293.371 -0.522 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126386 814439608 /nfs/dbraw/zinc/43/96/08/814439608.db2.gz 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CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135670187 814506772 /nfs/dbraw/zinc/50/67/72/814506772.db2.gz DFUQPSKOBZUQFS-MNOVXSKESA-N 1 0 293.367 -0.065 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135700077 814511492 /nfs/dbraw/zinc/51/14/92/814511492.db2.gz WSFXSSUNQKYQHT-MNOVXSKESA-N 1 0 294.355 -0.566 20 30 CBEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135699488 814512174 /nfs/dbraw/zinc/51/21/74/814512174.db2.gz RXXJUCDUTMJDRD-MNOVXSKESA-N 1 0 296.371 -0.013 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001135781634 814523751 /nfs/dbraw/zinc/52/37/51/814523751.db2.gz RCJQNELIHCZRBV-MNOVXSKESA-N 1 0 269.345 -0.581 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135801310 814529259 /nfs/dbraw/zinc/52/92/59/814529259.db2.gz JGDXDOUZUXMPFZ-SMDDNHRTSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809955 814529290 /nfs/dbraw/zinc/52/92/90/814529290.db2.gz UOTULDAJEBWEPV-UHFFFAOYSA-N 1 0 280.328 -0.364 20 30 CBEDRO C[C@@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CCO1 ZINC001135833022 814531039 /nfs/dbraw/zinc/53/10/39/814531039.db2.gz GYEZRINJEVBFRT-GHMZBOCLSA-N 1 0 282.344 -0.853 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cn(CC2CC2)nn1 ZINC001135965331 814541572 /nfs/dbraw/zinc/54/15/72/814541572.db2.gz IOLYNOHZVJKNKI-UHFFFAOYSA-N 1 0 291.355 -0.343 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(CC)nn1 ZINC001135994440 814544150 /nfs/dbraw/zinc/54/41/50/814544150.db2.gz URGCGEORTSNXOZ-UHFFFAOYSA-N 1 0 267.333 -0.180 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017387 814546105 /nfs/dbraw/zinc/54/61/05/814546105.db2.gz HSGPYJSLVJYNBV-UHFFFAOYSA-N 1 0 267.251 -0.053 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136021834 814546636 /nfs/dbraw/zinc/54/66/36/814546636.db2.gz FCWMOIIPQMNNGN-UHFFFAOYSA-N 1 0 264.329 -0.085 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn2nccc2nc1C ZINC001136041525 814548076 /nfs/dbraw/zinc/54/80/76/814548076.db2.gz HSERCEVJNVOXMI-UHFFFAOYSA-N 1 0 257.297 -0.010 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136054498 814550154 /nfs/dbraw/zinc/55/01/54/814550154.db2.gz JWQRFOCMHSBXOI-WDEREUQCSA-N 1 0 289.401 -0.616 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001136088890 814552413 /nfs/dbraw/zinc/55/24/13/814552413.db2.gz AGMXTCOESXKNLQ-SMDDNHRTSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)COC ZINC001136119087 814553627 /nfs/dbraw/zinc/55/36/27/814553627.db2.gz IYRNKSASGUCWOU-LLVKDONJSA-N 1 0 269.345 -0.886 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001136129324 814556614 /nfs/dbraw/zinc/55/66/14/814556614.db2.gz HNMGWDNUWRUQIG-UHFFFAOYSA-N 1 0 277.390 -0.450 20 30 CBEDRO C=C(CO)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001137047153 814576482 /nfs/dbraw/zinc/57/64/82/814576482.db2.gz GUDGVBAMSPRPDX-UHFFFAOYSA-N 1 0 283.372 -0.549 20 30 CBEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001139869621 814627027 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296.371 -0.463 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)Cn1ncn(C)c1=O ZINC001161461139 815757357 /nfs/dbraw/zinc/75/73/57/815757357.db2.gz DYCRBLBZWUKPLE-UHFFFAOYSA-N 1 0 267.333 -0.746 20 30 CBEDRO COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001161488835 815760408 /nfs/dbraw/zinc/76/04/08/815760408.db2.gz OFTKEJVWGXRUPU-NXEZZACHSA-N 1 0 281.312 -0.985 20 30 CBEDRO COC(=O)C1(C#N)CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001161491358 815761429 /nfs/dbraw/zinc/76/14/29/815761429.db2.gz CVXRUZXYRNWBOD-CQSZACIVSA-N 1 0 294.355 -0.627 20 30 CBEDRO CCN1CCOC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001161513298 815766813 /nfs/dbraw/zinc/76/68/13/815766813.db2.gz PCNOKOACOUIGIA-AWEZNQCLSA-N 1 0 297.399 -0.547 20 30 CBEDRO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161537140 815769014 /nfs/dbraw/zinc/76/90/14/815769014.db2.gz QZRWXUSWADBSHA-UTUOFQBUSA-N 1 0 296.371 -0.421 20 30 CBEDRO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161537141 815769369 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C=CCC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001320215798 817294168 /nfs/dbraw/zinc/29/41/68/817294168.db2.gz GNPYDDLMDQIFDN-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)/C(C)=C/C ZINC001320215008 817294247 /nfs/dbraw/zinc/29/42/47/817294247.db2.gz GFOPMKKMDPFSBL-RZZPXTMHSA-N 1 0 283.372 -0.290 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001320214398 817294459 /nfs/dbraw/zinc/29/44/59/817294459.db2.gz CGAQBWKUCROKTB-QWRGUYRKSA-N 1 0 270.329 -0.418 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001320214861 817294486 /nfs/dbraw/zinc/29/44/86/817294486.db2.gz BEWQTDBEXYLBBH-CYBMUJFWSA-N 1 0 295.383 -0.761 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001320215253 817294717 /nfs/dbraw/zinc/29/47/17/817294717.db2.gz RFJANCQMUZGQJM-DZGCQCFKSA-N 1 0 293.367 -0.025 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001320218752 817295639 /nfs/dbraw/zinc/29/56/39/817295639.db2.gz 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C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001320240565 817302854 /nfs/dbraw/zinc/30/28/54/817302854.db2.gz ACYYAVYFDDZTCT-CHWSQXEVSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001320257793 817305297 /nfs/dbraw/zinc/30/52/97/817305297.db2.gz MAOBERQZQUHXFG-ZJUUUORDSA-N 1 0 257.334 -0.859 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](OC)C1CCC1 ZINC001320257348 817305394 /nfs/dbraw/zinc/30/53/94/817305394.db2.gz HTYKEBPLYCQFLL-UONOGXRCSA-N 1 0 298.383 -0.482 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](OC)C1CCC1 ZINC001320257345 817306047 /nfs/dbraw/zinc/30/60/47/817306047.db2.gz HTYKEBPLYCQFLL-KBPBESRZSA-N 1 0 298.383 -0.482 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)co1 ZINC001320261293 817306459 /nfs/dbraw/zinc/30/64/59/817306459.db2.gz BUXSLOQXXQUZHH-LBPRGKRZSA-N 1 0 280.324 -0.082 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C)CCCC1 ZINC001320262205 817306828 /nfs/dbraw/zinc/30/68/28/817306828.db2.gz 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820166738 /nfs/dbraw/zinc/16/67/38/820166738.db2.gz YWGWEOHSBXCUIN-LBPRGKRZSA-N 1 0 263.301 -0.176 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)c1nnc[nH]1 ZINC001168739749 820172720 /nfs/dbraw/zinc/17/27/20/820172720.db2.gz UTMQFYNKFNNQDF-UHFFFAOYSA-N 1 0 253.306 -0.283 20 30 CBEDRO COC(OC)c1c(C#N)ccnc1-n1nnnc1C[NH3+] ZINC001168918837 820191159 /nfs/dbraw/zinc/19/11/59/820191159.db2.gz MZTPFTYRHHSOKE-UHFFFAOYSA-N 1 0 275.272 -0.321 20 30 CBEDRO N#Cc1cc2cccnc2nc1-n1nnnc1C[NH3+] ZINC001168921217 820193282 /nfs/dbraw/zinc/19/32/82/820193282.db2.gz VZJNSARFFIDINP-UHFFFAOYSA-N 1 0 252.241 -0.064 20 30 CBEDRO CCOCC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001168933160 820194314 /nfs/dbraw/zinc/19/43/14/820194314.db2.gz VTZLHDUOYRGJOR-GFCCVEGCSA-N 1 0 298.387 -0.073 20 30 CBEDRO COCC#CC[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169075151 820204689 /nfs/dbraw/zinc/20/46/89/820204689.db2.gz MHAWTUCYCFZPOV-LBPRGKRZSA-N 1 0 298.387 -0.431 20 30 CBEDRO Cc1cc(C#N)nc(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169071869 820204785 /nfs/dbraw/zinc/20/47/85/820204785.db2.gz NWRXCIQIYGBMMK-SECBINFHSA-N 1 0 258.285 -0.296 20 30 CBEDRO COc1nc(C)nc(-n2cncc2C[C@@H]([NH3+])CO)c1C#N ZINC001169071837 820204942 /nfs/dbraw/zinc/20/49/42/820204942.db2.gz NEBPJXVXDBXDCZ-SECBINFHSA-N 1 0 288.311 -0.287 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169083241 820206188 /nfs/dbraw/zinc/20/61/88/820206188.db2.gz UYPGUMWWLSOWTC-UHFFFAOYSA-N 1 0 292.339 -0.142 20 30 CBEDRO COC(=O)[C@@H]1C[C@@H](Nc2cc[nH+]c(CC#N)c2)CN1 ZINC001169137062 820212478 /nfs/dbraw/zinc/21/24/78/820212478.db2.gz SYBQGWCPRCKELS-NEPJUHHUSA-N 1 0 260.297 -0.115 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001169237077 820215577 /nfs/dbraw/zinc/21/55/77/820215577.db2.gz LYJIMQSXOXLABW-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@]1(C)CCOC1 ZINC001169255216 820215635 /nfs/dbraw/zinc/21/56/35/820215635.db2.gz GBTYFTTVXFAJOV-SWLSCSKDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001169298293 820225220 /nfs/dbraw/zinc/22/52/20/820225220.db2.gz FWWCLYYZFIOPMY-UHFFFAOYSA-N 1 0 262.313 -0.154 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001169586130 820258702 /nfs/dbraw/zinc/25/87/02/820258702.db2.gz SMBLRHDLRQNHRA-LBPRGKRZSA-N 1 0 291.355 -0.343 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)COCc1nncn1C ZINC001169818432 820265934 /nfs/dbraw/zinc/26/59/34/820265934.db2.gz ZNXMRBLEJKXUPX-UHFFFAOYSA-N 1 0 267.333 -0.386 20 30 CBEDRO C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C)C#N ZINC001169822869 820266682 /nfs/dbraw/zinc/26/66/82/820266682.db2.gz YRWOIJUSASQRCX-VHSXEESVSA-N 1 0 297.359 -0.394 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1nocc1C ZINC001170317526 820287072 /nfs/dbraw/zinc/28/70/72/820287072.db2.gz BZOGKWYRMAPCCN-UHFFFAOYSA-N 1 0 280.328 -0.005 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1nocc1C ZINC001170333003 820288215 /nfs/dbraw/zinc/28/82/15/820288215.db2.gz YSYYFEVMNRTRAY-LLVKDONJSA-N 1 0 292.339 -0.170 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H]2C)CC1 ZINC001170324901 820289085 /nfs/dbraw/zinc/28/90/85/820289085.db2.gz URXUCPHGBAZSIE-STQMWFEESA-N 1 0 265.357 -0.781 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170367168 820289800 /nfs/dbraw/zinc/28/98/00/820289800.db2.gz ZYCQXQFRWZQQRR-SNVBAGLBSA-N 1 0 290.327 -0.247 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1nccnc1N1CC[NH2+]CC1 ZINC001170367139 820289835 /nfs/dbraw/zinc/28/98/35/820289835.db2.gz ZMQSEVMQIFKVEG-SNVBAGLBSA-N 1 0 290.327 -0.247 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001170458674 820292914 /nfs/dbraw/zinc/29/29/14/820292914.db2.gz NPJQVZBVEMJQJJ-SWLSCSKDSA-N 1 0 293.367 -0.742 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001170487376 820294113 /nfs/dbraw/zinc/29/41/13/820294113.db2.gz JZBNEBOZDFPTDA-LBPRGKRZSA-N 1 0 291.355 -0.028 20 30 CBEDRO COCCC[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001170477354 820294272 /nfs/dbraw/zinc/29/42/72/820294272.db2.gz RBXWJYHLDTWLPJ-LBPRGKRZSA-N 1 0 298.387 -0.215 20 30 CBEDRO Cc1nc(C#N)c(C#N)nc1NCCN(C)CC[NH3+] ZINC001170497727 820294689 /nfs/dbraw/zinc/29/46/89/820294689.db2.gz BGLKSGUHYOQKLB-UHFFFAOYSA-N 1 0 259.317 -0.169 20 30 CBEDRO N#C[C@H](Nc1ncc(F)c(C2CC[NH2+]CC2)n1)C(N)=O ZINC001170532613 820299765 /nfs/dbraw/zinc/29/97/65/820299765.db2.gz IMMRZXBWPOBUSB-VIFPVBQESA-N 1 0 278.291 -0.128 20 30 CBEDRO N#C[C@@H](Nc1ccc2c(C3C[NH2+]C3)ncn2c1)C(N)=O ZINC001170535975 820301694 /nfs/dbraw/zinc/30/16/94/820301694.db2.gz LHJAPCZSZWZVKO-SNVBAGLBSA-N 1 0 270.296 -0.190 20 30 CBEDRO COCC[N@H+](C)Cc1ccnc(N[C@@H](C#N)C(N)=O)c1 ZINC001170538588 820302743 /nfs/dbraw/zinc/30/27/43/820302743.db2.gz JKIVMSRJSFHKGU-NSHDSACASA-N 1 0 277.328 -0.051 20 30 CBEDRO N#C[C@H](Nc1cccc(N2CC[NH2+]CC2)c1)C(N)=O ZINC001170538050 820303273 /nfs/dbraw/zinc/30/32/73/820303273.db2.gz XKVJCKFQWUPIOX-LBPRGKRZSA-N 1 0 259.313 -0.114 20 30 CBEDRO N#C[C@@H](Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1)C(N)=O ZINC001170539326 820303979 /nfs/dbraw/zinc/30/39/79/820303979.db2.gz PVRLLGWFOCFQGS-RKDXNWHRSA-N 1 0 276.300 -0.603 20 30 CBEDRO N#C[C@H](Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1)C(N)=O ZINC001170539325 820304561 /nfs/dbraw/zinc/30/45/61/820304561.db2.gz PVRLLGWFOCFQGS-IUCAKERBSA-N 1 0 276.300 -0.603 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+]([C@H](C)[C@@H](C)O)CC1 ZINC001170614624 820310322 /nfs/dbraw/zinc/31/03/22/820310322.db2.gz QBIVIPKOVPGJSI-VXGBXAGGSA-N 1 0 253.346 -0.877 20 30 CBEDRO COC(=O)c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c(C#N)n1 ZINC001170780603 820322753 /nfs/dbraw/zinc/32/27/53/820322753.db2.gz HNRALEUBLSBJCM-PELKAZGASA-N 1 0 276.296 -0.268 20 30 CBEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001170803447 820326657 /nfs/dbraw/zinc/32/66/57/820326657.db2.gz AAIDKDJRPDXCHO-GFCCVEGCSA-N 1 0 278.360 -0.039 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171047160 820345118 /nfs/dbraw/zinc/34/51/18/820345118.db2.gz SXDHFGJQKWWTFK-UHFFFAOYSA-N 1 0 280.284 -0.761 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001171065729 820345196 /nfs/dbraw/zinc/34/51/96/820345196.db2.gz ZKCXXBPLNVCVPB-JTQLQIEISA-N 1 0 261.329 -0.361 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001171054534 820345427 /nfs/dbraw/zinc/34/54/27/820345427.db2.gz UPRLGNYEXMZSKZ-UHFFFAOYSA-N 1 0 273.296 -0.222 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001171086320 820347021 /nfs/dbraw/zinc/34/70/21/820347021.db2.gz ZXPOFCLGVGLVKS-CYBMUJFWSA-N 1 0 297.399 -0.011 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001171086322 820347923 /nfs/dbraw/zinc/34/79/23/820347923.db2.gz ZXPOFCLGVGLVKS-ZDUSSCGKSA-N 1 0 297.399 -0.011 20 30 CBEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001171202021 820349170 /nfs/dbraw/zinc/34/91/70/820349170.db2.gz UXZDQQLBIRLBRS-CABZTGNLSA-N 1 0 274.324 -0.192 20 30 CBEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC001171330385 820356640 /nfs/dbraw/zinc/35/66/40/820356640.db2.gz AMYVSPCGUUVNGB-LLVKDONJSA-N 1 0 266.345 -0.184 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001171365141 820357836 /nfs/dbraw/zinc/35/78/36/820357836.db2.gz MQBCHPKJKMFEED-LSJOCFKGSA-N 1 0 293.327 -0.135 20 30 CBEDRO C[NH2+]Cc1cc(N[C@@H]2C(=O)N(O)C[C@@H]2C)ncn1 ZINC001171363199 820359518 /nfs/dbraw/zinc/35/95/18/820359518.db2.gz UBXHJBQPJLDYMQ-XVKPBYJWSA-N 1 0 251.290 -0.156 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]C[C@H](O)COC)nc1 ZINC001171585350 820362181 /nfs/dbraw/zinc/36/21/81/820362181.db2.gz ROHVAKIEXNIDFP-ZDUSSCGKSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@H]2CCNC2=O)nc1 ZINC001171584952 820362493 /nfs/dbraw/zinc/36/24/93/820362493.db2.gz CUQPATJYMJWINN-ZDUSSCGKSA-N 1 0 286.335 -0.339 20 30 CBEDRO CCc1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)no1 ZINC001171555585 820362596 /nfs/dbraw/zinc/36/25/96/820362596.db2.gz RENADTDSQFOJBG-UHFFFAOYSA-N 1 0 293.327 -0.414 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]C[C@H](O)COC)cn1 ZINC001171595093 820364132 /nfs/dbraw/zinc/36/41/32/820364132.db2.gz SUNUQYOOWWDPDX-AWEZNQCLSA-N 1 0 291.351 -0.220 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172167037 820388002 /nfs/dbraw/zinc/38/80/02/820388002.db2.gz VXOCVRYXPLMAMM-GUDRVLHUSA-N 1 0 267.329 -0.035 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172167039 820388353 /nfs/dbraw/zinc/38/83/53/820388353.db2.gz VXOCVRYXPLMAMM-WYFGTUCQSA-N 1 0 267.329 -0.035 20 30 CBEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C(CO)(CO)CO ZINC001172302111 820392621 /nfs/dbraw/zinc/39/26/21/820392621.db2.gz DJXKPOPAXCMVRC-NSHDSACASA-N 1 0 264.325 -0.205 20 30 CBEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1C ZINC001172358495 820394392 /nfs/dbraw/zinc/39/43/92/820394392.db2.gz IIIIBPOYDLFPBW-AXWZBMJISA-N 1 0 289.372 -0.957 20 30 CBEDRO C=C[C@@H](CO)[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173575677 820405208 /nfs/dbraw/zinc/40/52/08/820405208.db2.gz GPCWBISKBJHZBZ-MMWGEVLESA-N 1 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CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185633514 821137224 /nfs/dbraw/zinc/13/72/24/821137224.db2.gz PDTLOJMNXRJFHK-GRYCIOLGSA-N 1 0 279.340 -0.767 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001185663280 821138278 /nfs/dbraw/zinc/13/82/78/821138278.db2.gz NEUFUAIHOSITGB-RYUDHWBXSA-N 1 0 280.372 -0.248 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001185749786 821140841 /nfs/dbraw/zinc/14/08/41/821140841.db2.gz MZTPYDIQPYOVFH-UPJWGTAASA-N 1 0 295.383 -0.144 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001185913188 821145200 /nfs/dbraw/zinc/14/52/00/821145200.db2.gz SSVIOJPFPGKFQU-WDEREUQCSA-N 1 0 287.385 -0.862 20 30 CBEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185940223 821146644 /nfs/dbraw/zinc/14/66/44/821146644.db2.gz FMVMOTKGJQCKMM-MNOVXSKESA-N 1 0 294.355 -0.259 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193402 821174854 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C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186488735 821184283 /nfs/dbraw/zinc/18/42/83/821184283.db2.gz UPYIJLIHXAHNDF-VHSXEESVSA-N 1 0 293.327 -0.436 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001186583817 821189812 /nfs/dbraw/zinc/18/98/12/821189812.db2.gz KQMHQFKOBGORLO-IUODEOHRSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(F)(F)F)C1 ZINC001186646758 821191085 /nfs/dbraw/zinc/19/10/85/821191085.db2.gz QPKWAKFODWPJLB-SECBINFHSA-N 1 0 291.273 -0.121 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001186673370 821192458 /nfs/dbraw/zinc/19/24/58/821192458.db2.gz DFYUDEOUKWQYLI-CYBMUJFWSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1 ZINC001186660482 821192948 /nfs/dbraw/zinc/19/29/48/821192948.db2.gz RFKIFRLKIQGDJK-CYBMUJFWSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001186705683 821194355 /nfs/dbraw/zinc/19/43/55/821194355.db2.gz 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COCC[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001280583657 828364466 /nfs/dbraw/zinc/36/44/66/828364466.db2.gz PDEMKLZGWVWTFC-CYBMUJFWSA-N 1 0 266.341 -0.137 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCO1 ZINC001280595715 828364602 /nfs/dbraw/zinc/36/46/02/828364602.db2.gz OPPALTPBIJNCFH-GJZGRUSLSA-N 1 0 289.379 -0.466 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)CCO1 ZINC001280594813 828364692 /nfs/dbraw/zinc/36/46/92/828364692.db2.gz HVURNTOTKYJTFR-NSHDSACASA-N 1 0 292.339 -0.108 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCO1 ZINC001280595948 828365108 /nfs/dbraw/zinc/36/51/08/828365108.db2.gz PDDGNVHZXYXYPD-CHWSQXEVSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCF)CCO1 ZINC001280619258 828367359 /nfs/dbraw/zinc/36/73/59/828367359.db2.gz HBVCOUSQPSEKME-GFCCVEGCSA-N 1 0 299.346 -0.698 20 30 CBEDRO CC#CCCCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001280628614 828367392 /nfs/dbraw/zinc/36/73/92/828367392.db2.gz 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ZINC001282702109 828455156 /nfs/dbraw/zinc/45/51/56/828455156.db2.gz NDISXERAIPWXNK-ZDUSSCGKSA-N 1 0 279.384 -0.222 20 30 CBEDRO CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C#CC3CC3)[C@@H]2C1 ZINC001282858856 828458791 /nfs/dbraw/zinc/45/87/91/828458791.db2.gz NMQWGULLYLFZSG-ZSOGYDGISA-N 1 0 289.379 -0.218 20 30 CBEDRO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CSCC#N)CCO1 ZINC001282901164 828466938 /nfs/dbraw/zinc/46/69/38/828466938.db2.gz BEDAAWNYYNRWGX-MNOVXSKESA-N 1 0 287.385 -0.559 20 30 CBEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H]2C1 ZINC001282895215 828464073 /nfs/dbraw/zinc/46/40/73/828464073.db2.gz MRCPPTNADQYQPH-KKOKHZNYSA-N 1 0 291.351 -0.481 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001282896505 828465227 /nfs/dbraw/zinc/46/52/27/828465227.db2.gz VMYRIYOFNZWWNJ-YPMHNXCESA-N 1 0 293.367 -0.649 20 30 CBEDRO C#CCC[N@H+]1CCCC2(CN(C(=O)CCNC(N)=O)C2)C1 ZINC001282977540 828483621 /nfs/dbraw/zinc/48/36/21/828483621.db2.gz 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C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001283621954 828530583 /nfs/dbraw/zinc/53/05/83/828530583.db2.gz PNZMNLZUAJMRMF-MNOVXSKESA-N 1 0 251.330 -0.418 20 30 CBEDRO CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283734783 828538733 /nfs/dbraw/zinc/53/87/33/828538733.db2.gz QQSNKHJXLQATQG-JTQLQIEISA-N 1 0 284.360 -0.871 20 30 CBEDRO CC(C)(C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283734784 828538837 /nfs/dbraw/zinc/53/88/37/828538837.db2.gz QQSNKHJXLQATQG-SNVBAGLBSA-N 1 0 284.360 -0.871 20 30 CBEDRO COCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001283642143 828532169 /nfs/dbraw/zinc/53/21/69/828532169.db2.gz MBTLWNWLJIXKOS-NSHDSACASA-N 1 0 298.387 -0.265 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1ccncn1 ZINC001283690244 828533996 /nfs/dbraw/zinc/53/39/96/828533996.db2.gz GHSSQSXNLSNMBU-LLVKDONJSA-N 1 0 291.355 -0.171 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)cn1 ZINC001283705244 828534129 /nfs/dbraw/zinc/53/41/29/828534129.db2.gz RLHUTECXQXXFTR-JTQLQIEISA-N 1 0 274.324 -0.402 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001283715281 828535571 /nfs/dbraw/zinc/53/55/71/828535571.db2.gz TWXHTYHQKIDJAF-QWHCGFSZSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccsc1 ZINC001283735454 828539065 /nfs/dbraw/zinc/53/90/65/828539065.db2.gz ZCXDBVPUEJLFCR-NSHDSACASA-N 1 0 295.364 -0.822 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)[nH]1 ZINC001283742147 828539112 /nfs/dbraw/zinc/53/91/12/828539112.db2.gz GLUMXSZXFOTTNM-SNVBAGLBSA-N 1 0 263.297 -0.509 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1cc(C)cn1 ZINC001283733071 828536415 /nfs/dbraw/zinc/53/64/15/828536415.db2.gz DBWHWQOMXTWCBS-LBPRGKRZSA-N 1 0 266.345 -0.166 20 30 CBEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C=C(C)C)C1=O ZINC001283734654 828538093 /nfs/dbraw/zinc/53/80/93/828538093.db2.gz WJKQDOAYVKVOQT-OLZOCXBDSA-N 1 0 295.383 -0.194 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC=CC1 ZINC001283742453 828538395 /nfs/dbraw/zinc/53/83/95/828538395.db2.gz IAUVHLMKTIICSE-YPMHNXCESA-N 1 0 295.383 -0.290 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc(C(N)=O)c1 ZINC001283773259 828546947 /nfs/dbraw/zinc/54/69/47/828546947.db2.gz YFKISVCMUYQMFE-ZDUSSCGKSA-N 1 0 289.335 -0.511 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnc2nccn2c1 ZINC001283781255 828547179 /nfs/dbraw/zinc/54/71/79/828547179.db2.gz BGNSSMNTIXHVQE-GFCCVEGCSA-N 1 0 289.339 -0.014 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001283781195 828547315 /nfs/dbraw/zinc/54/73/15/828547315.db2.gz AHPXMJXGKLIECI-RFQIPJPRSA-N 1 0 280.368 -0.109 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CC1(C)CC1 ZINC001283781182 828547331 /nfs/dbraw/zinc/54/73/31/828547331.db2.gz ADLXGSPKPOUHLT-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)C(F)(F)F ZINC001283790423 828547930 /nfs/dbraw/zinc/54/79/30/828547930.db2.gz ADSOOKITQLNGGO-YUMQZZPRSA-N 1 0 252.236 -0.115 20 30 CBEDRO 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C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC2)C1 ZINC001214472012 824532045 /nfs/dbraw/zinc/53/20/45/824532045.db2.gz HWPXPFBLJXJYDK-DGCLKSJQSA-N 1 0 277.368 -0.028 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001214582359 824534671 /nfs/dbraw/zinc/53/46/71/824534671.db2.gz PRVKZADZQZCCAO-VXGBXAGGSA-N 1 0 265.357 -0.172 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C ZINC001214582631 824534763 /nfs/dbraw/zinc/53/47/63/824534763.db2.gz ZFMJCHZODAGEKL-ZIAGYGMSSA-N 1 0 289.379 -0.168 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214605222 824534795 /nfs/dbraw/zinc/53/47/95/824534795.db2.gz ZJULFVLWRSHVKL-HZSPNIEDSA-N 1 0 298.383 -0.530 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C ZINC001214696086 824535220 /nfs/dbraw/zinc/53/52/20/824535220.db2.gz NWEOKMFUTWKGHN-GRYCIOLGSA-N 1 0 283.372 -0.240 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)NC(=O)COC)C[C@H]1C ZINC001214695818 824535765 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N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H](O)CF ZINC001221338358 825173536 /nfs/dbraw/zinc/17/35/36/825173536.db2.gz PFLPQDXSLZQQNN-NEPJUHHUSA-N 1 0 265.288 -0.125 20 30 CBEDRO C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C(=O)OC ZINC001221381439 825178738 /nfs/dbraw/zinc/17/87/38/825178738.db2.gz BCVLRBUWFBINCE-DPFNBBGLSA-N 1 0 290.385 -0.294 20 30 CBEDRO C=CC[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)C(=O)OC ZINC001221382509 825179929 /nfs/dbraw/zinc/17/99/29/825179929.db2.gz UMUCYQZIMLKQEE-GDLCADMTSA-N 1 0 281.356 -0.438 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001221441441 825187571 /nfs/dbraw/zinc/18/75/71/825187571.db2.gz GJTWMCWIXLAOKP-MGPQQGTHSA-N 1 0 298.383 -0.271 20 30 CBEDRO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001221546529 825190925 /nfs/dbraw/zinc/19/09/25/825190925.db2.gz XLPXKSBVLZMKLB-MGPQQGTHSA-N 1 0 280.368 -0.060 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221665703 825192319 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C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)NC(N)=O)C[C@@H]21 ZINC001222665060 825221066 /nfs/dbraw/zinc/22/10/66/825221066.db2.gz RUZCLYODPWEOMY-XQQFMLRXSA-N 1 0 292.383 -0.011 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)NC)C[C@@H]21 ZINC001222839586 825221479 /nfs/dbraw/zinc/22/14/79/825221479.db2.gz QWCXRBSZYROIBU-OLZOCXBDSA-N 1 0 292.383 -0.139 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC1CC[NH+](CC)CC1 ZINC001222908268 825223121 /nfs/dbraw/zinc/22/31/21/825223121.db2.gz WMJYDJUIZXXSSB-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCC[NH+]1CCC(CNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001222980956 825223413 /nfs/dbraw/zinc/22/34/13/825223413.db2.gz AQJQOEGQGUWRSJ-NSHDSACASA-N 1 0 280.372 -0.105 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001223148328 825226839 /nfs/dbraw/zinc/22/68/39/825226839.db2.gz JCMFQKXKQDIQBZ-VXGBXAGGSA-N 1 0 295.383 -0.273 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001223182856 825226854 /nfs/dbraw/zinc/22/68/54/825226854.db2.gz NEQOQNFFBCSJHU-NSHDSACASA-N 1 0 281.356 -0.662 20 30 CBEDRO C#CC[NH+]1CCC(CNC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001223449224 825230564 /nfs/dbraw/zinc/23/05/64/825230564.db2.gz IFDQPMKILMORJB-ZDUSSCGKSA-N 1 0 277.368 -0.026 20 30 CBEDRO COCC#CC[NH+]1CCC(CNC(=O)c2cn[nH]n2)CC1 ZINC001223712606 825232422 /nfs/dbraw/zinc/23/24/22/825232422.db2.gz NSNXZGNHSCAMKS-UHFFFAOYSA-N 1 0 291.355 -0.104 20 30 CBEDRO C=CCOCC[NH+]1CCC(CNC(=O)C(N)=O)CC1 ZINC001224304435 825238151 /nfs/dbraw/zinc/23/81/51/825238151.db2.gz WJNURBICXFRBQK-UHFFFAOYSA-N 1 0 269.345 -0.498 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC ZINC001224403301 825239260 /nfs/dbraw/zinc/23/92/60/825239260.db2.gz BBGRSZAHUKQLAP-VXGBXAGGSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CC[NH+]1CCC(CNC(=O)[C@@]2(C)CCNC2=O)CC1 ZINC001224512806 825240159 /nfs/dbraw/zinc/24/01/59/825240159.db2.gz AUQYAALRQKTAJB-HNNXBMFYSA-N 1 0 277.368 -0.026 20 30 CBEDRO C[N@@H+]1CC[C@H](OCC(=O)ON2C(=O)CCC2=O)C1 ZINC001224523832 825240504 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ZINC001251848227 825795787 /nfs/dbraw/zinc/79/57/87/825795787.db2.gz WWHKSSSZGUJRAA-ZIAGYGMSSA-N 1 0 268.357 -0.596 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001251851735 825795983 /nfs/dbraw/zinc/79/59/83/825795983.db2.gz QXYRIYIQILPJHZ-TUAOUCFPSA-N 1 0 252.314 -0.935 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC001251854898 825796756 /nfs/dbraw/zinc/79/67/56/825796756.db2.gz NVNWNQDDFOFSOA-ZDUSSCGKSA-N 1 0 280.368 -0.059 20 30 CBEDRO C#CCOC[C@H](O)CN1CCOC[C@H]1C[NH+](C)C ZINC001251854861 825796797 /nfs/dbraw/zinc/79/67/97/825796797.db2.gz NECUBHWHFNHZEQ-CHWSQXEVSA-N 1 0 256.346 -0.741 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001251857653 825797423 /nfs/dbraw/zinc/79/74/23/825797423.db2.gz HSYVUOIHRKJNHZ-KBPBESRZSA-N 1 0 268.357 -0.060 20 30 CBEDRO C#CCOC[C@@H](O)CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001251857883 825798023 /nfs/dbraw/zinc/79/80/23/825798023.db2.gz MKUXXIFGBCEDIX-LSDHHAIUSA-N 1 0 282.384 -0.206 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001251859997 825798402 /nfs/dbraw/zinc/79/84/02/825798402.db2.gz AJCZEZFLCBALPI-NEPJUHHUSA-N 1 0 271.313 -0.739 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001251859998 825798527 /nfs/dbraw/zinc/79/85/27/825798527.db2.gz AJCZEZFLCBALPI-RYUDHWBXSA-N 1 0 271.313 -0.739 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001251861027 825799126 /nfs/dbraw/zinc/79/91/26/825799126.db2.gz ZAVRHCHLRBBZBM-RYUDHWBXSA-N 1 0 267.325 -0.118 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001251880609 825799743 /nfs/dbraw/zinc/79/97/43/825799743.db2.gz CKWJMGRKLMACOJ-LBPRGKRZSA-N 1 0 298.364 -0.415 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccncc1 ZINC001251881598 825799877 /nfs/dbraw/zinc/79/98/77/825799877.db2.gz XVTRZCADVTXDRJ-ZDUSSCGKSA-N 1 0 277.324 -0.588 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001251880791 825800434 /nfs/dbraw/zinc/80/04/34/825800434.db2.gz HLHYBHHOZRVXRQ-ZIAGYGMSSA-N 1 0 290.363 -0.157 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001251881148 825800490 /nfs/dbraw/zinc/80/04/90/825800490.db2.gz OPGPWFJPJQKBPT-CHWSQXEVSA-N 1 0 279.340 -0.366 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001251884603 825800994 /nfs/dbraw/zinc/80/09/94/825800994.db2.gz CFCKPZOMWIECNZ-CQSZACIVSA-N 1 0 276.336 -0.097 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)NCc1ccco1 ZINC001251884811 825801101 /nfs/dbraw/zinc/80/11/01/825801101.db2.gz HSIMQPULYFTVGB-LBPRGKRZSA-N 1 0 280.324 -0.114 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)N1CCCC1 ZINC001251885217 825801173 /nfs/dbraw/zinc/80/11/73/825801173.db2.gz QICUAPKUFOTGIE-LBPRGKRZSA-N 1 0 254.330 -0.401 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCC(=O)N1CCCCC1 ZINC001251885016 825801196 /nfs/dbraw/zinc/80/11/96/825801196.db2.gz LXKGAKDGBPXZGP-CYBMUJFWSA-N 1 0 268.357 -0.011 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001251890778 825801792 /nfs/dbraw/zinc/80/17/92/825801792.db2.gz HRUNOAVMVVQXAE-ZDUSSCGKSA-N 1 0 262.309 -0.114 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC001251888732 825801847 /nfs/dbraw/zinc/80/18/47/825801847.db2.gz ZLFSNHXISFLSCZ-ZIAGYGMSSA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1CN(c2ncccn2)C1 ZINC001251890603 825801878 /nfs/dbraw/zinc/80/18/78/825801878.db2.gz DNXPWGQKGKPHBF-GFCCVEGCSA-N 1 0 262.313 -0.735 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001251888294 825801986 /nfs/dbraw/zinc/80/19/86/825801986.db2.gz RGSGYHWYUVIWGT-ZDUSSCGKSA-N 1 0 292.335 -0.041 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001251891433 825801998 /nfs/dbraw/zinc/80/19/98/825801998.db2.gz SFHGWODJUGLMFO-LLVKDONJSA-N 1 0 275.370 -0.446 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H](O)[C@H]2OC(C)(C)O[C@@H]12 ZINC001251888215 825802130 /nfs/dbraw/zinc/80/21/30/825802130.db2.gz PWMPTLJEWOIPND-FPYNETTCSA-N 1 0 285.340 -0.760 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC001251890812 825802356 /nfs/dbraw/zinc/80/23/56/825802356.db2.gz IFCDGHIZMAFLNX-KGLIPLIRSA-N 1 0 298.383 -0.530 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001251888112 825802620 /nfs/dbraw/zinc/80/26/20/825802620.db2.gz ODDRMYNWSKEFSA-ZDUSSCGKSA-N 1 0 289.397 -0.198 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001251893712 825803661 /nfs/dbraw/zinc/80/36/61/825803661.db2.gz ICCOLEWLHXEMOS-GHMZBOCLSA-N 1 0 256.346 -0.253 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001251893456 825803949 /nfs/dbraw/zinc/80/39/49/825803949.db2.gz DZVFIONFOGUJPS-CHWSQXEVSA-N 1 0 283.372 -0.267 20 30 CBEDRO C#CCOC[C@@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001251894559 825804080 /nfs/dbraw/zinc/80/40/80/825804080.db2.gz WQSBKPFPRSFPMY-LBPRGKRZSA-N 1 0 275.308 -0.499 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CCSC)C(N)=O ZINC001251896324 825804219 /nfs/dbraw/zinc/80/42/19/825804219.db2.gz 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C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001268315100 827295638 /nfs/dbraw/zinc/29/56/38/827295638.db2.gz MMNKBTMHGJAMGK-UWVGGRQHSA-N 1 0 278.374 -0.938 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](OCC)C1CCOCC1 ZINC001268318862 827296429 /nfs/dbraw/zinc/29/64/29/827296429.db2.gz RUTTUYRYBXYCOF-ZIAGYGMSSA-N 1 0 298.383 -0.482 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001268317758 827297052 /nfs/dbraw/zinc/29/70/52/827297052.db2.gz ZEXFXOQKENDILM-NEPJUHHUSA-N 1 0 276.340 -0.855 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001268320481 827298380 /nfs/dbraw/zinc/29/83/80/827298380.db2.gz PBMVZOZZKIUAPT-STQMWFEESA-N 1 0 297.399 -0.277 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccn(CC)n1 ZINC001268323285 827299347 /nfs/dbraw/zinc/29/93/47/827299347.db2.gz HMLRDBUMKXIPPE-NSHDSACASA-N 1 0 264.329 -0.393 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001268322226 827299620 /nfs/dbraw/zinc/29/96/20/827299620.db2.gz QZZPROQBUCMPNT-SNVBAGLBSA-N 1 0 288.307 -0.017 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn(CC)n1 ZINC001268323283 827299889 /nfs/dbraw/zinc/29/98/89/827299889.db2.gz HMLRDBUMKXIPPE-LLVKDONJSA-N 1 0 264.329 -0.393 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C(C)(F)F ZINC001268323195 827299938 /nfs/dbraw/zinc/29/99/38/827299938.db2.gz WZEABODBUXFBRJ-WDEREUQCSA-N 1 0 292.326 -0.006 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001268327938 827303197 /nfs/dbraw/zinc/30/31/97/827303197.db2.gz UPDYSNBITGHCSZ-VHSXEESVSA-N 1 0 267.333 -0.160 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC)nn1 ZINC001268326315 827303512 /nfs/dbraw/zinc/30/35/12/827303512.db2.gz CIMRVVOBRQLJND-VIFPVBQESA-N 1 0 253.306 -0.836 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C2CC2)nc1 ZINC001268327070 827303769 /nfs/dbraw/zinc/30/37/69/827303769.db2.gz ZZZPVYJFSGYQPO-GFCCVEGCSA-N 1 0 274.324 -0.333 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCOCC)cn1 ZINC001268330102 827304201 /nfs/dbraw/zinc/30/42/01/827304201.db2.gz CAZLEEGVCFAQFX-CQSZACIVSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001268329656 827304966 /nfs/dbraw/zinc/30/49/66/827304966.db2.gz WXNJGVWABWQJDO-ZYHUDNBSSA-N 1 0 266.345 -0.159 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001268335006 827308173 /nfs/dbraw/zinc/30/81/73/827308173.db2.gz IGFCFACCBQSAGW-LLVKDONJSA-N 1 0 265.313 -0.899 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001268336319 827308567 /nfs/dbraw/zinc/30/85/67/827308567.db2.gz RRISIUPTGBWDMD-GFCCVEGCSA-N 1 0 275.308 -0.901 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001268338254 827309176 /nfs/dbraw/zinc/30/91/76/827309176.db2.gz MSWDPMSBJOMTPS-SWLSCSKDSA-N 1 0 295.383 -0.475 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)F ZINC001268336865 827309404 /nfs/dbraw/zinc/30/94/04/827309404.db2.gz IESGYZVDCPURBX-SNVBAGLBSA-N 1 0 271.336 -0.032 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(OCC)cn1 ZINC001268338449 827309675 /nfs/dbraw/zinc/30/96/75/827309675.db2.gz ODJDDXCBKOMENG-JTQLQIEISA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001268336645 827310231 /nfs/dbraw/zinc/31/02/31/827310231.db2.gz FPIWJFDYUQEOGU-GXTWGEPZSA-N 1 0 295.383 -0.667 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001268340131 827311855 /nfs/dbraw/zinc/31/18/55/827311855.db2.gz ZDHRONAELUUIHK-AAEUAGOBSA-N 1 0 278.356 -0.386 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)CC(C)(C)O ZINC001268359747 827315636 /nfs/dbraw/zinc/31/56/36/827315636.db2.gz SUSSCTOKTHWTQR-SNVBAGLBSA-N 1 0 284.360 -0.728 20 30 CBEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001268377575 827317711 /nfs/dbraw/zinc/31/77/11/827317711.db2.gz KZDRAZKYIYDYLH-LBPRGKRZSA-N 1 0 282.388 -0.569 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001268386580 827318737 /nfs/dbraw/zinc/31/87/37/827318737.db2.gz IDDYBNZPQVTZDB-NSHDSACASA-N 1 0 299.338 -0.212 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1C ZINC001268390422 827321339 /nfs/dbraw/zinc/32/13/39/827321339.db2.gz DFSVUNQMQBZSGN-GMTAPVOTSA-N 1 0 266.345 -0.233 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268389876 827322056 /nfs/dbraw/zinc/32/20/56/827322056.db2.gz SVXMHEFGBTYMLS-NXEZZACHSA-N 1 0 252.318 -0.872 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1ccncn1 ZINC001268408894 827323083 /nfs/dbraw/zinc/32/30/83/827323083.db2.gz FOYSQSMCARRDSH-LLVKDONJSA-N 1 0 289.339 -0.676 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cccnn1 ZINC001268410313 827324337 /nfs/dbraw/zinc/32/43/37/827324337.db2.gz ASLBILNBWHYLLC-NSHDSACASA-N 1 0 291.355 -0.123 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001268460469 827334451 /nfs/dbraw/zinc/33/44/51/827334451.db2.gz DTZVSUAUJQTFGL-UHFFFAOYSA-N 1 0 299.352 -0.388 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001268461930 827336263 /nfs/dbraw/zinc/33/62/63/827336263.db2.gz CNUHGUWFBSWKDW-LBPRGKRZSA-N 1 0 286.397 -0.118 20 30 CBEDRO C=CCn1cc(C(=O)N(CC)CC[NH2+]CCO)nn1 ZINC001268485424 827339774 /nfs/dbraw/zinc/33/97/74/827339774.db2.gz PFTAJSDYQYMULI-UHFFFAOYSA-N 1 0 267.333 -0.492 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1nccs1 ZINC001268486828 827339828 /nfs/dbraw/zinc/33/98/28/827339828.db2.gz NBFBJGLZGLFFKM-UHFFFAOYSA-N 1 0 294.380 -0.056 20 30 CBEDRO C=CCC[NH2+]CCN(CC)C(=O)CN1C(=O)CNC1=O ZINC001268498037 827344695 /nfs/dbraw/zinc/34/46/95/827344695.db2.gz NQDVZQKGQKCWJS-UHFFFAOYSA-N 1 0 282.344 -0.448 20 30 CBEDRO COC[C@@H](O)C[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001268518932 827349802 /nfs/dbraw/zinc/34/98/02/827349802.db2.gz AUSFGRDBTPOEQG-DLGQBQFBSA-N 1 0 292.339 -0.231 20 30 CBEDRO COC[C@H](O)C[NH2+]C/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001268518934 827351417 /nfs/dbraw/zinc/35/14/17/827351417.db2.gz AUSFGRDBTPOEQG-QAVQXKDTSA-N 1 0 292.339 -0.231 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1COC(=O)N1 ZINC001268537378 827359241 /nfs/dbraw/zinc/35/92/41/827359241.db2.gz VUCMUTWIPSTRTF-LWTINBJPSA-N 1 0 253.302 -0.067 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001268688248 827403909 /nfs/dbraw/zinc/40/39/09/827403909.db2.gz BGKOLHBYRIJYAE-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CNC(=O)N1CCCC1 ZINC001268541047 827359658 /nfs/dbraw/zinc/35/96/58/827359658.db2.gz HHZNWQQDIFKQRB-ONEGZZNKSA-N 1 0 278.356 -0.313 20 30 CBEDRO Cn1nncc1C[NH2+]C/C=C\CNC(=O)C#CC1CC1 ZINC001268538292 827359714 /nfs/dbraw/zinc/35/97/14/827359714.db2.gz YJTPVPFYQKUWCZ-IHWYPQMZSA-N 1 0 273.340 -0.010 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)CNC(=O)N1CCCC1 ZINC001268541037 827359847 /nfs/dbraw/zinc/35/98/47/827359847.db2.gz HHZNWQQDIFKQRB-ARJAWSKDSA-N 1 0 278.356 -0.313 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cnc2n[nH]nc2c1 ZINC001268549730 827363615 /nfs/dbraw/zinc/36/36/15/827363615.db2.gz HBUFLCFQCWYLJI-ARJAWSKDSA-N 1 0 270.296 -0.138 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)CC(N)=O ZINC001268575498 827369233 /nfs/dbraw/zinc/36/92/33/827369233.db2.gz YNWUEBRICXDHCG-GZTOBOFZSA-N 1 0 251.330 -0.217 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnco1 ZINC001268575178 827369688 /nfs/dbraw/zinc/36/96/88/827369688.db2.gz JQINPHOEIUFOPH-ARJAWSKDSA-N 1 0 278.312 -0.148 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001268591566 827376628 /nfs/dbraw/zinc/37/66/28/827376628.db2.gz ACGDZECADRRKEM-PLNGDYQASA-N 1 0 286.335 -0.002 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001268630176 827383230 /nfs/dbraw/zinc/38/32/30/827383230.db2.gz GORHYHONEPNICT-DGMVEKRQSA-N 1 0 286.397 -0.048 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268642742 827389771 /nfs/dbraw/zinc/38/97/71/827389771.db2.gz UNQYWVCGXCIEMY-VXGBXAGGSA-N 1 0 253.346 -0.565 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(=O)C(C)(C)C ZINC001268640185 827389820 /nfs/dbraw/zinc/38/98/20/827389820.db2.gz SDYLUXUAXDJKQF-MNOVXSKESA-N 1 0 295.383 -0.166 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1ccoc1 ZINC001268643683 827390284 /nfs/dbraw/zinc/39/02/84/827390284.db2.gz YWZIROJWHOMLHB-SNVBAGLBSA-N 1 0 278.312 -0.444 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C#CC(C)C ZINC001268644712 827390717 /nfs/dbraw/zinc/39/07/17/827390717.db2.gz MYADREDEQWMMFL-LLVKDONJSA-N 1 0 296.371 -0.414 20 30 CBEDRO CCOCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C#CC1CC1 ZINC001268645483 827391337 /nfs/dbraw/zinc/39/13/37/827391337.db2.gz ZVEKBLMTGWIXJF-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC(C)(C)O ZINC001268644365 827391547 /nfs/dbraw/zinc/39/15/47/827391547.db2.gz YCCIJVAZFHYZSV-MNOVXSKESA-N 1 0 283.372 -0.620 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001268643808 827391687 /nfs/dbraw/zinc/39/16/87/827391687.db2.gz CMBQJMWCCFLQEQ-YGRLFVJLSA-N 1 0 283.372 -0.314 20 30 CBEDRO Cc1cnn(C)c1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268657570 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C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1ncccc1F ZINC001272505644 827810272 /nfs/dbraw/zinc/81/02/72/827810272.db2.gz YNJYXNLLYIDTNZ-NSHDSACASA-N 1 0 279.315 -0.147 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001272519639 827811156 /nfs/dbraw/zinc/81/11/56/827811156.db2.gz CSWNCUDLRNHHGD-CHWSQXEVSA-N 1 0 269.389 -0.029 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001272520900 827811582 /nfs/dbraw/zinc/81/15/82/827811582.db2.gz LEZFCMZLQBIDJA-SNVBAGLBSA-N 1 0 263.297 -0.135 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+]CCCOC)c1 ZINC001272520888 827811888 /nfs/dbraw/zinc/81/18/88/827811888.db2.gz LDVWXFYSHQFGOX-CQSZACIVSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272523470 827813098 /nfs/dbraw/zinc/81/30/98/827813098.db2.gz ABNXOIQDXKSIIK-WFASDCNBSA-N 1 0 275.352 -0.177 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001272524758 827814235 /nfs/dbraw/zinc/81/42/35/827814235.db2.gz 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C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H](C)C#N ZINC001272688275 827834516 /nfs/dbraw/zinc/83/45/16/827834516.db2.gz IJHBYZSBASLASR-RYUDHWBXSA-N 1 0 296.371 -0.511 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001272747391 827837833 /nfs/dbraw/zinc/83/78/33/827837833.db2.gz LANPZARHSQGVQB-CABZTGNLSA-N 1 0 257.334 -0.717 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001272772209 827839110 /nfs/dbraw/zinc/83/91/10/827839110.db2.gz CZDXMKLMBGJOSN-NWDGAFQWSA-N 1 0 254.330 -0.091 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC ZINC001272774133 827839417 /nfs/dbraw/zinc/83/94/17/827839417.db2.gz RNXZQRYRPZJAIX-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CC[NH+]1CCC2(CN(C(=O)C(=O)NCC(F)F)C2)CC1 ZINC001272804628 827841268 /nfs/dbraw/zinc/84/12/68/827841268.db2.gz FFRWYMNGVPWUFU-UHFFFAOYSA-N 1 0 299.321 -0.075 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001272873609 827846601 /nfs/dbraw/zinc/84/66/01/827846601.db2.gz 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CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)CCO1 ZINC001273928407 827942606 /nfs/dbraw/zinc/94/26/06/827942606.db2.gz NFPSHTDARXCCPW-SZZPACECSA-N 1 0 265.357 -0.398 20 30 CBEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)C(=O)NCC2CC2)C1 ZINC001273930842 827943099 /nfs/dbraw/zinc/94/30/99/827943099.db2.gz WQENAOMJQOSVEZ-OAHLLOKOSA-N 1 0 295.383 -0.358 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCOCCOC)C1 ZINC001273935386 827943898 /nfs/dbraw/zinc/94/38/98/827943898.db2.gz AVFXPMBVCVDSEK-HNNXBMFYSA-N 1 0 298.383 -0.384 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)c1c[nH]c(C#N)c1 ZINC001273966561 827947153 /nfs/dbraw/zinc/94/71/53/827947153.db2.gz OMLBXENTHLNMME-HMDXOVGESA-N 1 0 289.339 -0.104 20 30 CBEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](CCNC(C)=O)C2)C1=O ZINC001273999498 827951212 /nfs/dbraw/zinc/95/12/12/827951212.db2.gz LRQSQGPBDAPOHN-HNNXBMFYSA-N 1 0 291.351 -0.403 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C#CC(C)C ZINC001274007580 827951289 /nfs/dbraw/zinc/95/12/89/827951289.db2.gz 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COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001277853466 828214578 /nfs/dbraw/zinc/21/45/78/828214578.db2.gz GVYMUPSHKWPFRI-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001277863440 828214759 /nfs/dbraw/zinc/21/47/59/828214759.db2.gz PKVOIIQTQWBVPG-GFCCVEGCSA-N 1 0 295.387 -0.016 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001277917222 828218665 /nfs/dbraw/zinc/21/86/65/828218665.db2.gz RQETWQZKOXJVGS-GHMZBOCLSA-N 1 0 266.345 -0.223 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001277917944 828218709 /nfs/dbraw/zinc/21/87/09/828218709.db2.gz ZBSNDVKQPWDDRY-SECBINFHSA-N 1 0 250.306 -0.410 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001277917789 828219641 /nfs/dbraw/zinc/21/96/41/828219641.db2.gz WGDYEDNSMRTMLF-NEPJUHHUSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001277937408 828220212 /nfs/dbraw/zinc/22/02/12/828220212.db2.gz 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20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)OC ZINC001331407534 886797667 /nfs/dbraw/zinc/79/76/67/886797667.db2.gz RXDNVJAEYDQRAS-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]CCO ZINC001331426056 886803447 /nfs/dbraw/zinc/80/34/47/886803447.db2.gz GSBHMPAOHFTTDD-SECBINFHSA-N 1 0 250.302 -0.071 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001331490345 886821354 /nfs/dbraw/zinc/82/13/54/886821354.db2.gz YBIOSOGCYRONMG-PHIMTYICSA-N 1 0 281.381 -0.853 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001331487447 886821441 /nfs/dbraw/zinc/82/14/41/886821441.db2.gz GXHAUCJOONMAGR-NSHDSACASA-N 1 0 283.397 -0.273 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001331487445 886823899 /nfs/dbraw/zinc/82/38/99/886823899.db2.gz GXHAUCJOONMAGR-LLVKDONJSA-N 1 0 283.397 -0.273 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001331604479 886862503 /nfs/dbraw/zinc/86/25/03/886862503.db2.gz 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886893311 /nfs/dbraw/zinc/89/33/11/886893311.db2.gz VDJIVXNOBBELJJ-VIFPVBQESA-N 1 0 292.343 -0.592 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cccs1 ZINC001331669496 886897132 /nfs/dbraw/zinc/89/71/32/886897132.db2.gz VOCNHFVOMFZISL-SNVBAGLBSA-N 1 0 295.364 -0.822 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C ZINC001331684821 886903576 /nfs/dbraw/zinc/90/35/76/886903576.db2.gz QMJWKJDFTZKJIR-NXEZZACHSA-N 1 0 265.317 -0.854 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnns1 ZINC001331684981 886904448 /nfs/dbraw/zinc/90/44/48/886904448.db2.gz QOAPZGGPMGXFJS-MRVPVSSYSA-N 1 0 254.315 -0.758 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cncc(F)c1 ZINC001331698899 886916346 /nfs/dbraw/zinc/91/63/46/886916346.db2.gz YFDJZJVXYSCBNY-NSHDSACASA-N 1 0 251.261 -0.466 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1CCC(O)CC1 ZINC001331703931 886916541 /nfs/dbraw/zinc/91/65/41/886916541.db2.gz DWGGKCACTHXOGA-MOENNCHZSA-N 1 0 256.346 -0.210 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cncc(F)c1 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C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001331725504 886938931 /nfs/dbraw/zinc/93/89/31/886938931.db2.gz OWLZWQHJCBBCEA-SNVBAGLBSA-N 1 0 273.296 -0.729 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001331727152 886939041 /nfs/dbraw/zinc/93/90/41/886939041.db2.gz WNXFHAIBDVOECC-ZDUSSCGKSA-N 1 0 278.356 -0.639 20 30 CBEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NCC#N ZINC001331725116 886939092 /nfs/dbraw/zinc/93/90/92/886939092.db2.gz MMTQSGANFUQKHL-VXGBXAGGSA-N 1 0 268.361 -0.549 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001331725551 886939834 /nfs/dbraw/zinc/93/98/34/886939834.db2.gz PALLNMHRYJMZDO-QWRGUYRKSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1(COC)CCOCC1 ZINC001331726471 886940080 /nfs/dbraw/zinc/94/00/80/886940080.db2.gz SVIYBZFBVGCQBJ-CYBMUJFWSA-N 1 0 298.383 -0.480 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001331727714 886940414 /nfs/dbraw/zinc/94/04/14/886940414.db2.gz ZKAUQFOYXRHDQA-NSHDSACASA-N 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C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001331773724 886971152 /nfs/dbraw/zinc/97/11/52/886971152.db2.gz WJRIWGYWBJVQJI-MROQNXINSA-N 1 0 295.383 -0.599 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001331773425 886972341 /nfs/dbraw/zinc/97/23/41/886972341.db2.gz FLHSFKRBEXKSJR-MNOVXSKESA-N 1 0 293.371 -0.133 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001331773624 886972655 /nfs/dbraw/zinc/97/26/55/886972655.db2.gz VRWZAMICEGQZNQ-GHMZBOCLSA-N 1 0 283.372 -0.504 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1conc1C ZINC001331774979 886974030 /nfs/dbraw/zinc/97/40/30/886974030.db2.gz QFCHCWVTTWHFBJ-LLVKDONJSA-N 1 0 281.312 -0.687 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC001331781037 886975635 /nfs/dbraw/zinc/97/56/35/886975635.db2.gz SXFTYWALRJIAPY-JHJVBQTASA-N 1 0 295.383 -0.014 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1ncccc1F ZINC001331775975 886976105 /nfs/dbraw/zinc/97/61/05/886976105.db2.gz WKDAUHYMNWCFMH-JTQLQIEISA-N 1 0 265.288 -0.537 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1nccc1C ZINC001331789099 886982032 /nfs/dbraw/zinc/98/20/32/886982032.db2.gz FMGMHEHYMRMMHY-GFCCVEGCSA-N 1 0 264.329 -0.718 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]nc1C1CC1 ZINC001331803609 886989096 /nfs/dbraw/zinc/98/90/96/886989096.db2.gz FKBMDHYMIVMZOX-SNVBAGLBSA-N 1 0 262.313 -0.399 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cnc(OC)nc1 ZINC001331805570 886990982 /nfs/dbraw/zinc/99/09/82/886990982.db2.gz RAQJTLBUAXZAMU-LLVKDONJSA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nccs1 ZINC001331804911 886991009 /nfs/dbraw/zinc/99/10/09/886991009.db2.gz KYQJPYLOWOIQIX-VIFPVBQESA-N 1 0 253.327 -0.153 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]CC)nn1 ZINC001331805287 886991324 /nfs/dbraw/zinc/99/13/24/886991324.db2.gz RIPZKIQMLBATQY-VIFPVBQESA-N 1 0 253.306 -0.836 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001331839083 887008922 /nfs/dbraw/zinc/00/89/22/887008922.db2.gz AZDUMHVBIFNRLF-JTQLQIEISA-N 1 0 278.312 -0.953 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCn1cc(C)cn1 ZINC001331839908 887010138 /nfs/dbraw/zinc/01/01/38/887010138.db2.gz GTCWTEGFWHILCR-ZDUSSCGKSA-N 1 0 278.356 -0.328 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+]CCN2CC[C@@H](O)C2)CCOCC1 ZINC001331846825 887012752 /nfs/dbraw/zinc/01/27/52/887012752.db2.gz HGWVLGJIWLWOCJ-ZIAGYGMSSA-N 1 0 297.399 -0.286 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC001331879122 887026576 /nfs/dbraw/zinc/02/65/76/887026576.db2.gz OKAVCJRJUOLMOY-WDEREUQCSA-N 1 0 291.355 -0.096 20 30 CBEDRO CCOCC[C@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001331961293 887063844 /nfs/dbraw/zinc/06/38/44/887063844.db2.gz XLYKDBLINAFDDV-JKJHPVACSA-N 1 0 297.355 -0.110 20 30 CBEDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1ccon1 ZINC001331959105 887064462 /nfs/dbraw/zinc/06/44/62/887064462.db2.gz OQMQSPNHQFTTGT-NXEZZACHSA-N 1 0 291.311 -0.493 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001332023844 887087650 /nfs/dbraw/zinc/08/76/50/887087650.db2.gz AMRHYUAQNSAKKV-WDEREUQCSA-N 1 0 274.324 -0.014 20 30 CBEDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001332124210 887119898 /nfs/dbraw/zinc/11/98/98/887119898.db2.gz DWODAYKBMGVPTK-KJMGFJKXSA-N 1 0 292.339 -0.373 20 30 CBEDRO N#CC[C@@]1(O)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001332134795 887124307 /nfs/dbraw/zinc/12/43/07/887124307.db2.gz GBTVOSVYVJJKSY-GFCCVEGCSA-N 1 0 251.286 -0.514 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(F)F)C1 ZINC001332221931 887159599 /nfs/dbraw/zinc/15/95/99/887159599.db2.gz QBPZJMSUOTWHTD-UWVGGRQHSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001332288692 887186835 /nfs/dbraw/zinc/18/68/35/887186835.db2.gz UXFQVBGQQBNZNT-QWHCGFSZSA-N 1 0 271.357 -0.093 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC001332304091 887191591 /nfs/dbraw/zinc/19/15/91/887191591.db2.gz KGVYJCYQDYATFY-LBPRGKRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC001332432697 887277998 /nfs/dbraw/zinc/27/79/98/887277998.db2.gz GPMBHLUDRPBIHB-DOMZBBRYSA-N 1 0 295.383 -0.277 20 30 CBEDRO N#CC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001332432938 887278821 /nfs/dbraw/zinc/27/88/21/887278821.db2.gz ABIZURGPPQUZMJ-QWHCGFSZSA-N 1 0 290.367 -0.184 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C(F)(F)F ZINC001332461394 887297494 /nfs/dbraw/zinc/29/74/94/887297494.db2.gz YNDGMLQSJMWVPE-IUCAKERBSA-N 1 0 291.273 -0.279 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC001332463523 887299660 /nfs/dbraw/zinc/29/96/60/887299660.db2.gz VCLQNEMUIRDJHY-WFASDCNBSA-N 1 0 290.367 -0.039 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCOC ZINC001332471025 887301635 /nfs/dbraw/zinc/30/16/35/887301635.db2.gz MBKUWDVNWBKEJX-LBPRGKRZSA-N 1 0 272.345 -0.918 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001332474720 887305763 /nfs/dbraw/zinc/30/57/63/887305763.db2.gz HTOKHAOENAVAQG-LLVKDONJSA-N 1 0 262.313 -0.478 20 30 CBEDRO C=CCn1nnnc1N1CCC(O)(C[NH+](C)C)CC1 ZINC001332473910 887307719 /nfs/dbraw/zinc/30/77/19/887307719.db2.gz MZRHZEAQMFOJBX-UHFFFAOYSA-N 1 0 266.349 -0.248 20 30 CBEDRO C[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC001332478860 887310179 /nfs/dbraw/zinc/31/01/79/887310179.db2.gz RVZIIHLMAOQTAH-NJERVBSYSA-N 1 0 292.339 -0.277 20 30 CBEDRO C=C(CO)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332480184 887311106 /nfs/dbraw/zinc/31/11/06/887311106.db2.gz BTPNSPWYHLHVQD-UHFFFAOYSA-N 1 0 267.373 -0.227 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001332487029 887312884 /nfs/dbraw/zinc/31/28/84/887312884.db2.gz DLCNARFPWHJRSN-NSHDSACASA-N 1 0 264.329 -0.616 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001332491056 887318984 /nfs/dbraw/zinc/31/89/84/887318984.db2.gz QIVPLBUHGBSHFG-NWDGAFQWSA-N 1 0 296.371 -0.823 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001332504579 887326515 /nfs/dbraw/zinc/32/65/15/887326515.db2.gz OHOMXXMUFLBRQM-ZDUSSCGKSA-N 1 0 276.340 -0.169 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001332504097 887327469 /nfs/dbraw/zinc/32/74/69/887327469.db2.gz KGWRDPUDOGAPKP-NSHDSACASA-N 1 0 260.297 -0.458 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001332517268 887331949 /nfs/dbraw/zinc/33/19/49/887331949.db2.gz LKWNTDUPIRVYTB-OBJOEFQTSA-N 1 0 266.341 -0.545 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001332517196 887333801 /nfs/dbraw/zinc/33/38/01/887333801.db2.gz KTTFRIMGXCWYEP-OCCSQVGLSA-N 1 0 292.383 -0.130 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnc(C)o1 ZINC001332520800 887334818 /nfs/dbraw/zinc/33/48/18/887334818.db2.gz DFKHICVLEBIUKH-LBPRGKRZSA-N 1 0 279.340 -0.042 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001332520896 887335681 /nfs/dbraw/zinc/33/56/81/887335681.db2.gz FBMPPSNMGYEJMP-JHJVBQTASA-N 1 0 290.367 -0.055 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001332520898 887335782 /nfs/dbraw/zinc/33/57/82/887335782.db2.gz FBMPPSNMGYEJMP-YNEHKIRRSA-N 1 0 290.367 -0.055 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cn(C)nc1C ZINC001332522050 887336229 /nfs/dbraw/zinc/33/62/29/887336229.db2.gz MEIAAMFZDTUHIV-AWEZNQCLSA-N 1 0 292.383 -0.297 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001332529212 887339560 /nfs/dbraw/zinc/33/95/60/887339560.db2.gz NSYWXVZEWKIXJI-QWHCGFSZSA-N 1 0 295.383 -0.713 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ncc(OC)cn1 ZINC001332538254 887344587 /nfs/dbraw/zinc/34/45/87/887344587.db2.gz ZVPSTPKQCFHASM-JTQLQIEISA-N 1 0 280.328 -0.306 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001332547532 887347621 /nfs/dbraw/zinc/34/76/21/887347621.db2.gz PYROYEFMCKIOFI-NSHDSACASA-N 1 0 293.323 -0.576 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001332553627 887350726 /nfs/dbraw/zinc/35/07/26/887350726.db2.gz WWNVSEIXLWULRK-SNVBAGLBSA-N 1 0 265.317 -0.841 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001332565254 887357620 /nfs/dbraw/zinc/35/76/20/887357620.db2.gz ARWZTSSZTPIHLE-SMDDNHRTSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C)[nH]c1=O ZINC001332575129 887361080 /nfs/dbraw/zinc/36/10/80/887361080.db2.gz KSZNJSXZUPFDCB-LLVKDONJSA-N 1 0 277.324 -0.249 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001332591148 887366857 /nfs/dbraw/zinc/36/68/57/887366857.db2.gz DCXIXZMGPYAVHI-NEPJUHHUSA-N 1 0 298.387 -0.486 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001332605056 887371146 /nfs/dbraw/zinc/37/11/46/887371146.db2.gz GBNJGDDMBLUFST-JTQLQIEISA-N 1 0 250.302 -0.924 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001332606632 887372422 /nfs/dbraw/zinc/37/24/22/887372422.db2.gz OYISEEDWJFQNSJ-GFCCVEGCSA-N 1 0 266.345 -0.214 20 30 CBEDRO 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C=CCn1cc(C(=O)N2CCC[C@]([NH3+])(CO)C2)nn1 ZINC001342628185 889805370 /nfs/dbraw/zinc/80/53/70/889805370.db2.gz NIZCCIJKEISELC-GFCCVEGCSA-N 1 0 265.317 -0.610 20 30 CBEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CNOC1)C2 ZINC001342678732 889814645 /nfs/dbraw/zinc/81/46/45/889814645.db2.gz NFMSOPSMBKGYJX-WDHPUFTPSA-N 1 0 250.302 -0.855 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCc1nnnn1C ZINC001342927348 889844276 /nfs/dbraw/zinc/84/42/76/889844276.db2.gz OQCMGYYDRWEAET-MRVPVSSYSA-N 1 0 272.740 -0.271 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCO1 ZINC001342987893 889851074 /nfs/dbraw/zinc/85/10/74/889851074.db2.gz FAXXSAXXHJZROL-OLZOCXBDSA-N 1 0 267.329 -0.368 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC001342987085 889851566 /nfs/dbraw/zinc/85/15/66/889851566.db2.gz CDSPTTJINCONBF-CMPLNLGQSA-N 1 0 253.302 -0.494 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC001342987862 889852704 /nfs/dbraw/zinc/85/27/04/889852704.db2.gz 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C#CCCN1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001346250238 890250896 /nfs/dbraw/zinc/25/08/96/890250896.db2.gz CISOYZHKVKNRQE-HZPDHXFCSA-N 1 0 296.411 -0.034 20 30 CBEDRO C#CC1(O)CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC001346460838 890298622 /nfs/dbraw/zinc/29/86/22/890298622.db2.gz QSUKHCAJXBITKH-UHFFFAOYSA-N 1 0 295.383 -0.122 20 30 CBEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CS(=O)(=O)NC ZINC001448884233 913438602 /nfs/dbraw/zinc/43/86/02/913438602.db2.gz PPTOJXXOUSJQDX-UHFFFAOYSA-N 1 0 277.390 -0.498 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(CO)CO ZINC001346582971 890327071 /nfs/dbraw/zinc/32/70/71/890327071.db2.gz OWCHQJPQCXERTQ-MRVPVSSYSA-N 1 0 250.726 -0.437 20 30 CBEDRO C#CCC[C@H](O)CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346605336 890328351 /nfs/dbraw/zinc/32/83/51/890328351.db2.gz GIIABABQTRLPQG-HZSPNIEDSA-N 1 0 296.415 -0.306 20 30 CBEDRO C#CC1(O)CN(C(=O)NC[C@@H]2CCCC[N@H+]2C)C1 ZINC001347042581 890394136 /nfs/dbraw/zinc/39/41/36/890394136.db2.gz LVRFHPCKLCVKCO-NSHDSACASA-N 1 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/nfs/dbraw/zinc/58/72/58/890587258.db2.gz CVKXEPFUOVSZMS-UHFFFAOYSA-N 1 0 261.285 -0.301 20 30 CBEDRO C[NH2+]CCOCCN(C)C(=O)NCCn1cnc(C#N)n1 ZINC001348304922 890590280 /nfs/dbraw/zinc/59/02/80/890590280.db2.gz AEEWFMFPYNYJRW-UHFFFAOYSA-N 1 0 295.347 -0.973 20 30 CBEDRO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)nn1 ZINC001348310040 890592592 /nfs/dbraw/zinc/59/25/92/890592592.db2.gz YOWDDZBLTGFNPF-NEPJUHHUSA-N 1 0 291.355 -0.255 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001348319942 890595736 /nfs/dbraw/zinc/59/57/36/890595736.db2.gz INOIEFFQRAQGID-MNOVXSKESA-N 1 0 267.329 -0.991 20 30 CBEDRO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@](C)(C#N)C1 ZINC001348447162 890626420 /nfs/dbraw/zinc/62/64/20/890626420.db2.gz MZUAWMDKDDSLPG-CYBMUJFWSA-N 1 0 266.345 -0.054 20 30 CBEDRO C#CCCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001348581216 890655462 /nfs/dbraw/zinc/65/54/62/890655462.db2.gz SBBCYRREZYUBBH-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C#CCCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001348581218 890656899 /nfs/dbraw/zinc/65/68/99/890656899.db2.gz SBBCYRREZYUBBH-NSHDSACASA-N 1 0 251.330 -0.226 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001348681834 890680161 /nfs/dbraw/zinc/68/01/61/890680161.db2.gz RIUDGMYPOZCLHA-STQMWFEESA-N 1 0 295.383 -0.307 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CN2CCOC2=O)CC1 ZINC001348943247 890730610 /nfs/dbraw/zinc/73/06/10/890730610.db2.gz GWSMXZGQENPKOC-UHFFFAOYSA-N 1 0 266.301 -0.457 20 30 CBEDRO C#CCN(CC#CC)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349064690 890755221 /nfs/dbraw/zinc/75/52/21/890755221.db2.gz KRXVJKDFACKSFS-KGLIPLIRSA-N 1 0 259.353 -0.140 20 30 CBEDRO C=CCNC(=O)CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001349118477 890763132 /nfs/dbraw/zinc/76/31/32/890763132.db2.gz HLYSUJZNSHJTRM-UHFFFAOYSA-N 1 0 280.332 -0.951 20 30 CBEDRO CNC(=O)CCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001349168640 890767823 /nfs/dbraw/zinc/76/78/23/890767823.db2.gz FRWOMGOIEICCPH-ZJUUUORDSA-N 1 0 252.318 -0.479 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1C[C@H]1C ZINC001349243541 890782233 /nfs/dbraw/zinc/78/22/33/890782233.db2.gz SGLAYLKVQKJUTK-UPJWGTAASA-N 1 0 277.368 -0.028 20 30 CBEDRO C[C@H]([NH2+]C1CC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001349403502 890808502 /nfs/dbraw/zinc/80/85/02/890808502.db2.gz JXHJRWYZFZNAMJ-DMPSHJKHSA-N 1 0 292.339 -0.231 20 30 CBEDRO C#CC1(O)CN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001349455194 890817715 /nfs/dbraw/zinc/81/77/15/890817715.db2.gz HRUSBALLBOFTQK-NEPJUHHUSA-N 1 0 280.372 -0.990 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC001349634075 890855837 /nfs/dbraw/zinc/85/58/37/890855837.db2.gz FAISDTZNEVYHCS-ZDUSSCGKSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CCC1(O)CCN([C@H]2CS(=O)(=O)C[C@H]2OC)CC1 ZINC001349710604 890873011 /nfs/dbraw/zinc/87/30/11/890873011.db2.gz JQRMYHNZXOOYID-NWDGAFQWSA-N 1 0 287.381 -0.351 20 30 CBEDRO COC(=O)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001349816523 890898276 /nfs/dbraw/zinc/89/82/76/890898276.db2.gz PGCSLTHACJQBAB-QUNCOHTASA-N 1 0 265.313 -0.195 20 30 CBEDRO CON(C)C(=O)[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001349817998 890901819 /nfs/dbraw/zinc/90/18/19/890901819.db2.gz NFGMGRMRSQZNKT-MMIJRFEOSA-N 1 0 294.355 -0.350 20 30 CBEDRO C#C[C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC001349846936 890906054 /nfs/dbraw/zinc/90/60/54/890906054.db2.gz WZYBJDBKRGKWBI-GFCCVEGCSA-N 1 0 265.357 -0.122 20 30 CBEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCC1(CC#N)CC1)C2 ZINC001349983681 890922094 /nfs/dbraw/zinc/92/20/94/890922094.db2.gz WLJNIDUQVDHNHU-SMDDNHRTSA-N 1 0 290.367 -0.136 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC001350031895 890926225 /nfs/dbraw/zinc/92/62/25/890926225.db2.gz MSINKCIQSRVKLM-JTQLQIEISA-N 1 0 269.345 -0.621 20 30 CBEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CCC1 ZINC001350086856 890934490 /nfs/dbraw/zinc/93/44/90/890934490.db2.gz VJHLORDDEBMISR-WOPDTQHZSA-N 1 0 254.330 -0.284 20 30 CBEDRO C#CC1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC001350266081 890956571 /nfs/dbraw/zinc/95/65/71/890956571.db2.gz LJTXQLWFNLYVPP-UHFFFAOYSA-N 1 0 277.368 -0.122 20 30 CBEDRO O=C1[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CCCN1O ZINC001350328182 890963434 /nfs/dbraw/zinc/96/34/34/890963434.db2.gz QMCHNFHANLDZNI-JTQLQIEISA-N 1 0 276.358 -0.219 20 30 CBEDRO C=CCC1(O)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001350594849 891012871 /nfs/dbraw/zinc/01/28/71/891012871.db2.gz ZQYUVRLUZIHOTH-GFCCVEGCSA-N 1 0 295.383 -0.454 20 30 CBEDRO C#CCN(C(=O)NC[C@@H]1CNC(=O)C1)C1CC[NH+](C)CC1 ZINC001350903068 891065000 /nfs/dbraw/zinc/06/50/00/891065000.db2.gz LZCULXXGKWHHHB-LBPRGKRZSA-N 1 0 292.383 -0.139 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001350964975 891079374 /nfs/dbraw/zinc/07/93/74/891079374.db2.gz HNSWETJTMZVFKU-FRRDWIJNSA-N 1 0 290.367 -0.184 20 30 CBEDRO COCC#CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001351104886 891107309 /nfs/dbraw/zinc/10/73/09/891107309.db2.gz CRRZFPKEOMITAC-CYBMUJFWSA-N 1 0 266.341 -0.306 20 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/nfs/dbraw/zinc/29/57/53/891295753.db2.gz LYWTTXFLROXAOV-AWEZNQCLSA-N 1 0 294.355 -0.662 20 30 CBEDRO C=C(C)C[C@@H](CO)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001352818456 891301882 /nfs/dbraw/zinc/30/18/82/891301882.db2.gz QZWKIPWBAVUNJM-NSHDSACASA-N 1 0 277.386 -0.157 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001352944032 891325709 /nfs/dbraw/zinc/32/57/09/891325709.db2.gz HHNHYIZUWUXQMU-WDEREUQCSA-N 1 0 266.345 -0.185 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001353120300 891361225 /nfs/dbraw/zinc/36/12/25/891361225.db2.gz WDAMIJCJRAIYRA-SNVBAGLBSA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001353135213 891363832 /nfs/dbraw/zinc/36/38/32/891363832.db2.gz UTLWJYIDZJOPBA-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001353135212 891365088 /nfs/dbraw/zinc/36/50/88/891365088.db2.gz UTLWJYIDZJOPBA-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)NCc2nc(C#N)cs2)CC[NH2+]1 ZINC001353189796 891379488 /nfs/dbraw/zinc/37/94/88/891379488.db2.gz SDLGAWOJPIGBHP-MRVPVSSYSA-N 1 0 293.352 -0.549 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC001353303783 891399388 /nfs/dbraw/zinc/39/93/88/891399388.db2.gz VCDLWNVMCCBJSC-NSHDSACASA-N 1 0 283.372 -0.231 20 30 CBEDRO C=C[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353350536 891411421 /nfs/dbraw/zinc/41/14/21/891411421.db2.gz UURJGFASEIXIIA-YWVKMMECSA-N 1 0 258.343 -0.689 20 30 CBEDRO C#CC[NH2+]CC(=O)N(C)Cc1nnc2ccccn21 ZINC001353525801 891440477 /nfs/dbraw/zinc/44/04/77/891440477.db2.gz BPCWNEUVHMSJHH-UHFFFAOYSA-N 1 0 257.297 -0.090 20 30 CBEDRO C[C@@H](CNC(=O)C#CC1CC1)NC(=O)COCC[NH+](C)C ZINC001354375024 891571577 /nfs/dbraw/zinc/57/15/77/891571577.db2.gz BUAXVXABDGIXMF-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C[NH2+]C[C@H](O)CN(C)C(=O)CC1(C#N)CCOCC1 ZINC001354460534 891584187 /nfs/dbraw/zinc/58/41/87/891584187.db2.gz ALQKGYHDGOVVLF-NSHDSACASA-N 1 0 269.345 -0.264 20 30 CBEDRO C[NH2+]C[C@@H](O)CN(C)C(=O)CC1(C#N)CCOCC1 ZINC001354460502 891584203 /nfs/dbraw/zinc/58/42/03/891584203.db2.gz ALQKGYHDGOVVLF-LLVKDONJSA-N 1 0 269.345 -0.264 20 30 CBEDRO C=CCCO[C@H](C)C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354511149 891589592 /nfs/dbraw/zinc/58/95/92/891589592.db2.gz CYFFTGRQCAROPK-ZWNOBZJWSA-N 1 0 267.329 -0.037 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2C(=O)NCC23CCOCC3)C1=O ZINC001354988812 891634924 /nfs/dbraw/zinc/63/49/24/891634924.db2.gz CAPKHFFQPPSRKB-VXGBXAGGSA-N 1 0 293.367 -0.342 20 30 CBEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001354977321 891635362 /nfs/dbraw/zinc/63/53/62/891635362.db2.gz CALHTLWJQPJUQA-RYUDHWBXSA-N 1 0 268.357 -0.114 20 30 CBEDRO C#CCN(C(=O)C(=O)NCC(F)F)C1CC[NH+](C)CC1 ZINC001355145764 891653223 /nfs/dbraw/zinc/65/32/23/891653223.db2.gz GGKZJCIXRUWNSN-UHFFFAOYSA-N 1 0 287.310 -0.076 20 30 CBEDRO C=C[C@H](COC)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC001355312127 891666947 /nfs/dbraw/zinc/66/69/47/891666947.db2.gz JCLYWZJUQMAHLD-LLVKDONJSA-N 1 0 271.361 -0.057 20 30 CBEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001355335451 891667603 /nfs/dbraw/zinc/66/76/03/891667603.db2.gz QNPXUJALAKVZGN-IVZWLZJFSA-N 1 0 276.358 -0.221 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001355877024 891714061 /nfs/dbraw/zinc/71/40/61/891714061.db2.gz PMTJGGVROBWVPM-LBPRGKRZSA-N 1 0 283.372 -0.449 20 30 CBEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCO1 ZINC001356100727 891729537 /nfs/dbraw/zinc/72/95/37/891729537.db2.gz QYOFTAMXONNDNV-SMDDNHRTSA-N 1 0 292.339 -0.908 20 30 CBEDRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001356216312 891738938 /nfs/dbraw/zinc/73/89/38/891738938.db2.gz FURFZFBGXCGSNF-ZDUSSCGKSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001356421447 891757925 /nfs/dbraw/zinc/75/79/25/891757925.db2.gz DHFHCGQAURFKCI-OUAUKWLOSA-N 1 0 267.329 -0.686 20 30 CBEDRO C#CCCCNC(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001356440949 891758864 /nfs/dbraw/zinc/75/88/64/891758864.db2.gz SEMHQQYNLIMQEH-WDEREUQCSA-N 1 0 251.330 -0.240 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001356437916 891760437 /nfs/dbraw/zinc/76/04/37/891760437.db2.gz DGTTVTIQKIFKKC-RYUDHWBXSA-N 1 0 281.356 -0.804 20 30 CBEDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C#N)CC1 ZINC001356488935 891768194 /nfs/dbraw/zinc/76/81/94/891768194.db2.gz BUAJFYVNHASYHI-NSHDSACASA-N 1 0 278.356 -0.137 20 30 CBEDRO C[C@H]1CN(CC[NH2+]C[C@@H](O)CN(C)CCC#N)CCO1 ZINC001356583005 891780827 /nfs/dbraw/zinc/78/08/27/891780827.db2.gz IDFVLLABRHXEQI-UONOGXRCSA-N 1 0 284.404 -0.497 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CNOC2)CC1 ZINC001356620858 891782940 /nfs/dbraw/zinc/78/29/40/891782940.db2.gz GUFWPFRUTQPWFS-LLVKDONJSA-N 1 0 254.334 -0.161 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001356756905 891800360 /nfs/dbraw/zinc/80/03/60/891800360.db2.gz UCWXWEPNPDDWNH-SWLSCSKDSA-N 1 0 295.383 -0.265 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001356794252 891811162 /nfs/dbraw/zinc/81/11/62/891811162.db2.gz VKFKZADXQOWGDJ-SWLSCSKDSA-N 1 0 297.399 -0.019 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001356808583 891814569 /nfs/dbraw/zinc/81/45/69/891814569.db2.gz BJHYSVPCGULXGC-OAHLLOKOSA-N 1 0 297.399 -0.160 20 30 CBEDRO N#CCNC(=O)CNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001357417858 891890678 /nfs/dbraw/zinc/89/06/78/891890678.db2.gz NMWOOABEFNNQGB-ZDUSSCGKSA-N 1 0 279.344 -0.446 20 30 CBEDRO C=CCOCCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C ZINC001357875762 891944672 /nfs/dbraw/zinc/94/46/72/891944672.db2.gz WDAWQWDHXPBYRB-LBPRGKRZSA-N 1 0 271.361 -0.205 20 30 CBEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1COC(=O)C1)C2 ZINC001358060542 891965625 /nfs/dbraw/zinc/96/56/25/891965625.db2.gz YCBPHKKBOVSSGR-XWDDTNKTSA-N 1 0 263.297 -0.443 20 30 CBEDRO C[C@H](CNC(=O)C#CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001358171542 891979829 /nfs/dbraw/zinc/97/98/29/891979829.db2.gz YRUKXHOJBMGYHF-DGCLKSJQSA-N 1 0 277.368 -0.028 20 30 CBEDRO C=CC[C@@]1(C(=O)NC[C@@H](O)CS(C)(=O)=O)CCC[NH2+]1 ZINC001358225684 891981972 /nfs/dbraw/zinc/98/19/72/891981972.db2.gz YJNXPAXKMJMRIO-PWSUYJOCSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C[C@H](O)CC)nn1 ZINC001358264183 891987519 /nfs/dbraw/zinc/98/75/19/891987519.db2.gz AEKVSZRISDXKCX-GFCCVEGCSA-N 1 0 293.371 -0.266 20 30 CBEDRO CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@](C)(C#N)C1 ZINC001358405488 891999927 /nfs/dbraw/zinc/99/99/27/891999927.db2.gz ATQUIBDEGPPFMB-CMPLNLGQSA-N 1 0 255.318 -0.120 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001358513382 892015990 /nfs/dbraw/zinc/01/59/90/892015990.db2.gz BDXVMDBQZOZFOL-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001358538987 892020984 /nfs/dbraw/zinc/02/09/84/892020984.db2.gz QIJFXXMQGAEHGC-OUAUKWLOSA-N 1 0 266.345 -0.139 20 30 CBEDRO C=CCOCC(=O)N(C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001358722701 892050727 /nfs/dbraw/zinc/05/07/27/892050727.db2.gz OPNXEBJWFRLOCN-CYBMUJFWSA-N 1 0 295.383 -0.048 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450481691 913702128 /nfs/dbraw/zinc/70/21/28/913702128.db2.gz VITVOSVOSPJUCT-SNVBAGLBSA-N 1 0 278.356 -0.185 20 30 CBEDRO N#Cc1ncn(CC(=O)NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC001362897506 893147143 /nfs/dbraw/zinc/14/71/43/893147143.db2.gz YIZKYHIMFHBBRZ-LLVKDONJSA-N 1 0 292.343 -0.887 20 30 CBEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CCOCC1 ZINC001363222792 893473888 /nfs/dbraw/zinc/47/38/88/893473888.db2.gz NLHZWYFGUITQLE-AVGNSLFASA-N 1 0 284.356 -0.515 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001363272292 893515206 /nfs/dbraw/zinc/51/52/06/893515206.db2.gz YLBUUYLHIDQEQB-LLVKDONJSA-N 1 0 292.343 -0.887 20 30 CBEDRO C[N@H+](CC(=O)N1CCO[C@](C)(C#N)C1)[C@@H]1CCC[C@H]1O ZINC001363738463 893952010 /nfs/dbraw/zinc/95/20/10/893952010.db2.gz AGQGRLHISZFKOF-YRGRVCCFSA-N 1 0 281.356 -0.027 20 30 CBEDRO CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H](C)C#N ZINC001451512876 913865055 /nfs/dbraw/zinc/86/50/55/913865055.db2.gz UNRCBTDCMHYUCN-MNOVXSKESA-N 1 0 298.387 -0.530 20 30 CBEDRO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001451512870 913865567 /nfs/dbraw/zinc/86/55/67/913865567.db2.gz UNRCBTDCMHYUCN-GHMZBOCLSA-N 1 0 298.387 -0.530 20 30 CBEDRO N#CC1(C[C@H](O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC001364481919 894449261 /nfs/dbraw/zinc/44/92/61/894449261.db2.gz QUGYYOATOWTFAN-ZDUSSCGKSA-N 1 0 295.383 -0.138 20 30 CBEDRO C[N@H+](CCS(N)(=O)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC001364490475 894454050 /nfs/dbraw/zinc/45/40/50/894454050.db2.gz ORPASXCUARGHMG-JTQLQIEISA-N 1 0 275.374 -0.348 20 30 CBEDRO C[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)n1cnc(C#N)n1 ZINC001364502482 894463773 /nfs/dbraw/zinc/46/37/73/894463773.db2.gz CPHIPBVJUZARHP-MFKMUULPSA-N 1 0 294.359 -0.470 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1CC(N)=O ZINC001451656871 913892000 /nfs/dbraw/zinc/89/20/00/913892000.db2.gz MUVQAJRMYGBOGU-SNVBAGLBSA-N 1 0 255.318 -0.793 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1CC(N)=O ZINC001451656869 913892320 /nfs/dbraw/zinc/89/23/20/913892320.db2.gz MUVQAJRMYGBOGU-JTQLQIEISA-N 1 0 255.318 -0.793 20 30 CBEDRO C[NH+](C)CC(=O)N1CCN(c2cnc(C#N)c(C#N)n2)CC1 ZINC001365205022 894818800 /nfs/dbraw/zinc/81/88/00/894818800.db2.gz ARORLFIBKVHEKS-UHFFFAOYSA-N 1 0 299.338 -0.570 20 30 CBEDRO CC[NH+](CC)CC(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001451926496 913930455 /nfs/dbraw/zinc/93/04/55/913930455.db2.gz SFLQOEUYGXWFNU-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001366281929 895258246 /nfs/dbraw/zinc/25/82/46/895258246.db2.gz OPTXGDXNLOJMTJ-JTQLQIEISA-N 1 0 289.763 -0.308 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001366689444 895429319 /nfs/dbraw/zinc/42/93/19/895429319.db2.gz MXQWOBHJBPVXDB-GHMZBOCLSA-N 1 0 278.356 -0.137 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001366757315 895447796 /nfs/dbraw/zinc/44/77/96/895447796.db2.gz ASOSBEFHKCPBQT-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001366773511 895456270 /nfs/dbraw/zinc/45/62/70/895456270.db2.gz WYFOUNWDVZNXTQ-GFCCVEGCSA-N 1 0 289.339 -0.173 20 30 CBEDRO CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]C[C@H](O)COC ZINC001367086638 895557613 /nfs/dbraw/zinc/55/76/13/895557613.db2.gz BKSQYLBENTVQPZ-JQWIXIFHSA-N 1 0 294.355 -0.008 20 30 CBEDRO CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]C[C@H](O)COC ZINC001367086641 895557656 /nfs/dbraw/zinc/55/76/56/895557656.db2.gz BKSQYLBENTVQPZ-PWSUYJOCSA-N 1 0 294.355 -0.008 20 30 CBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+][C@H]1CCNC1=O ZINC001367250192 895596759 /nfs/dbraw/zinc/59/67/59/895596759.db2.gz VGIHIGMOYAEYBC-KOLCDFICSA-N 1 0 289.339 -0.270 20 30 CBEDRO COc1cncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 ZINC001367577673 895677024 /nfs/dbraw/zinc/67/70/24/895677024.db2.gz IHHJOMUIKMFLGK-ONGXEEELSA-N 1 0 293.327 -0.788 20 30 CBEDRO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001367647834 895720115 /nfs/dbraw/zinc/72/01/15/895720115.db2.gz SVPBRNGAWIUMIR-KOLCDFICSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cnnn1 ZINC001367724148 895768720 /nfs/dbraw/zinc/76/87/20/895768720.db2.gz PDTLAWBZUHILER-NSHDSACASA-N 1 0 299.338 -0.161 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001368467780 896015545 /nfs/dbraw/zinc/01/55/45/896015545.db2.gz DGLUUOAMYVGXSJ-MXWKQRLJSA-N 1 0 287.385 -0.325 20 30 CBEDRO CC1([NH2+]CC(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001368648381 896050361 /nfs/dbraw/zinc/05/03/61/896050361.db2.gz RTMPMEJRYMMJEW-UHFFFAOYSA-N 1 0 289.339 -0.044 20 30 CBEDRO COC[C@@H](O)C[NH2+]CC1(NC(=O)[C@H](C)C#N)CCOCC1 ZINC001368629542 896051508 /nfs/dbraw/zinc/05/15/08/896051508.db2.gz ULCFMXBNQQPVBS-NEPJUHHUSA-N 1 0 299.371 -0.592 20 30 CBEDRO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001368895494 896107054 /nfs/dbraw/zinc/10/70/54/896107054.db2.gz KEBZZLYSMJWLEJ-LLVKDONJSA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001369233419 896174515 /nfs/dbraw/zinc/17/45/15/896174515.db2.gz UBACVKFDIPNQJC-BDAKNGLRSA-N 1 0 277.328 -0.190 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001369382812 896252090 /nfs/dbraw/zinc/25/20/90/896252090.db2.gz DRPVYEKPTOVHHK-JOYOIKCWSA-N 1 0 289.339 -0.175 20 30 CBEDRO N#Cc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001369415750 896263798 /nfs/dbraw/zinc/26/37/98/896263798.db2.gz DGDZVBVBWARTNX-MWLCHTKSSA-N 1 0 289.339 -0.140 20 30 CBEDRO CCn1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001369454664 896279826 /nfs/dbraw/zinc/27/98/26/896279826.db2.gz XFTGYXJOFAWHGQ-DGCLKSJQSA-N 1 0 293.371 -0.028 20 30 CBEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001370442426 896430069 /nfs/dbraw/zinc/43/00/69/896430069.db2.gz HFRUHFUZYBKMJG-ZYUZMQFOSA-N 1 0 295.343 -0.773 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC001370794944 896500812 /nfs/dbraw/zinc/50/08/12/896500812.db2.gz SUZBDYFCMMTVPP-PWSUYJOCSA-N 1 0 296.371 -0.919 20 30 CBEDRO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(N)=O ZINC001371564235 896635190 /nfs/dbraw/zinc/63/51/90/896635190.db2.gz CDAXNYDDHYGUBQ-NXEZZACHSA-N 1 0 289.339 -0.188 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372039553 896716642 /nfs/dbraw/zinc/71/66/42/896716642.db2.gz VIQTWWGNFHAAQE-QJPTWQEYSA-N 1 0 278.356 -0.043 20 30 CBEDRO CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@H](C)C(N)=O ZINC001373741882 897112928 /nfs/dbraw/zinc/11/29/28/897112928.db2.gz LJBMLGNXWOIMME-BDAKNGLRSA-N 1 0 277.328 -0.142 20 30 CBEDRO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+][C@@H]1CCNC1=O ZINC001374008061 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C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001374752118 897377157 /nfs/dbraw/zinc/37/71/57/897377157.db2.gz UZYGOGKIGSFLEG-ZWNOBZJWSA-N 1 0 290.367 -0.185 20 30 CBEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)Cn1cnnn1 ZINC001374861069 897410116 /nfs/dbraw/zinc/41/01/16/897410116.db2.gz ONEKRTKPLYDZTI-NSHDSACASA-N 1 0 299.338 -0.161 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001374873446 897415505 /nfs/dbraw/zinc/41/55/05/897415505.db2.gz HCHIEAOCCMYZET-GXSJLCMTSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@H]([NH2+]C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1)C(N)=O ZINC001375210211 897494606 /nfs/dbraw/zinc/49/46/06/897494606.db2.gz AGPVCQNLLCJXLR-QPUJVOFHSA-N 1 0 289.339 -0.142 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001376083953 897647441 /nfs/dbraw/zinc/64/74/41/897647441.db2.gz XEONFEVICNLPDF-KGLIPLIRSA-N 1 0 294.399 -0.084 20 30 CBEDRO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001376441723 897736047 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C[C@@H](C#N)C(=O)NCC1(O)C[NH+](CC2CCOCC2)C1 ZINC001440040341 911364553 /nfs/dbraw/zinc/36/45/53/911364553.db2.gz YCOIROYNMUNFNV-NSHDSACASA-N 1 0 281.356 -0.264 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001507048771 921657586 /nfs/dbraw/zinc/65/75/86/921657586.db2.gz QFOBFUDGRLDWCD-NWDGAFQWSA-N 1 0 299.371 -0.860 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1=COCCC1 ZINC001507056096 921662472 /nfs/dbraw/zinc/66/24/72/921662472.db2.gz KIESMQAOBBTCHZ-GFCCVEGCSA-N 1 0 293.367 -0.133 20 30 CBEDRO C[C@H](C#N)C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCOCC1 ZINC001440566192 911475018 /nfs/dbraw/zinc/47/50/18/911475018.db2.gz PQLOMXHNMMYRBP-NXEZZACHSA-N 1 0 282.344 -0.725 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001507063809 921665461 /nfs/dbraw/zinc/66/54/61/921665461.db2.gz STZIMZIQZDOQLX-NXEZZACHSA-N 1 0 295.343 -0.866 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001507086515 921671667 /nfs/dbraw/zinc/67/16/67/921671667.db2.gz LJMQYRZLDKVONT-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C#CC(C)C ZINC001507077347 921672076 /nfs/dbraw/zinc/67/20/76/921672076.db2.gz URSWPDXYDHUIIV-ZDUSSCGKSA-N 1 0 277.368 -0.168 20 30 CBEDRO N#Cc1ccc(C(=O)NCCN2CC[NH+](CCO)CC2)[nH]1 ZINC001441051194 911597127 /nfs/dbraw/zinc/59/71/27/911597127.db2.gz GUOGBKAOEASAEG-UHFFFAOYSA-N 1 0 291.355 -0.774 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001441346356 911647792 /nfs/dbraw/zinc/64/77/92/911647792.db2.gz ADQNULGLFLNQEM-KKOKHZNYSA-N 1 0 278.356 -0.139 20 30 CBEDRO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)C(N)=O ZINC001441351413 911649599 /nfs/dbraw/zinc/64/95/99/911649599.db2.gz MGZTZQXPMWVBSS-FXPVBKGRSA-N 1 0 289.339 -0.142 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1n[nH]cc1F ZINC001507121977 921684195 /nfs/dbraw/zinc/68/41/95/921684195.db2.gz MVQPEVMXJAPQDK-SECBINFHSA-N 1 0 295.318 -0.652 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1ncccn1 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Cn1cc(CC[NH2+][C@H](CO)CNC(=O)C#CC2CC2)cn1 ZINC001507191723 921728893 /nfs/dbraw/zinc/72/88/93/921728893.db2.gz COEPLOSGNISWSO-AWEZNQCLSA-N 1 0 290.367 -0.557 20 30 CBEDRO CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C#CC(C)C)C1=O ZINC001507191688 921730142 /nfs/dbraw/zinc/73/01/42/921730142.db2.gz VGSMYVYKXBXBMB-STQMWFEESA-N 1 0 295.383 -0.667 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccnn1CC ZINC001507190234 921730928 /nfs/dbraw/zinc/73/09/28/921730928.db2.gz DBEKECWUSKKVEU-NSHDSACASA-N 1 0 264.329 -0.393 20 30 CBEDRO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)(C)C ZINC001507193231 921733529 /nfs/dbraw/zinc/73/35/29/921733529.db2.gz KCKUXMUUEBMIDM-GFCCVEGCSA-N 1 0 297.399 -0.419 20 30 CBEDRO C[C@H]([NH2+][C@H](CO)CNC(=O)C#CC1CC1)C(=O)NC1CC1 ZINC001507193199 921734307 /nfs/dbraw/zinc/73/43/07/921734307.db2.gz JMFKZKXRQIRHPO-GWCFXTLKSA-N 1 0 293.367 -0.866 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001464835862 915015498 /nfs/dbraw/zinc/01/54/98/915015498.db2.gz IIQILECQPAYRGL-VIFPVBQESA-N 1 0 250.302 -0.773 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C(=O)OC)C1 ZINC001464861914 915018598 /nfs/dbraw/zinc/01/85/98/915018598.db2.gz LSGZVLTXGSMAQN-JTQLQIEISA-N 1 0 256.302 -0.495 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1Cl ZINC001507204278 921740850 /nfs/dbraw/zinc/74/08/50/921740850.db2.gz VNWAVJKPYORXOJ-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1Cl ZINC001507204764 921742040 /nfs/dbraw/zinc/74/20/40/921742040.db2.gz YERTYXOJMQREAS-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001507208300 921743725 /nfs/dbraw/zinc/74/37/25/921743725.db2.gz HVADCZRLXONNIT-WDEREUQCSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001507211192 921744772 /nfs/dbraw/zinc/74/47/72/921744772.db2.gz IYOXVPBUNZFRPZ-NSHDSACASA-N 1 0 269.345 -0.748 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001507210240 921745621 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C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1ccc(C)cc1=O ZINC001507236162 921767578 /nfs/dbraw/zinc/76/75/78/921767578.db2.gz HWVBKJFZTCCYTM-ZDUSSCGKSA-N 1 0 293.367 -0.200 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001507236129 921767728 /nfs/dbraw/zinc/76/77/28/921767728.db2.gz HBRLBQOLJZQSFF-LLVKDONJSA-N 1 0 290.385 -0.936 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCC1([S@@](C)=O)CC1 ZINC001469930832 915434047 /nfs/dbraw/zinc/43/40/47/915434047.db2.gz VOIXXKNGMHYUDM-GOSISDBHSA-N 1 0 271.386 -0.238 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCC1([S@](C)=O)CC1 ZINC001469930840 915434073 /nfs/dbraw/zinc/43/40/73/915434073.db2.gz VOIXXKNGMHYUDM-SFHVURJKSA-N 1 0 271.386 -0.238 20 30 CBEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCn1cnc(C#N)n1 ZINC001470103130 915446453 /nfs/dbraw/zinc/44/64/53/915446453.db2.gz MRCPMPLMYCOCIR-LLVKDONJSA-N 1 0 291.359 -0.115 20 30 CBEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCn1cnc(C#N)n1 ZINC001470103131 915446489 /nfs/dbraw/zinc/44/64/89/915446489.db2.gz MRCPMPLMYCOCIR-NSHDSACASA-N 1 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ZINC001507247420 921781249 /nfs/dbraw/zinc/78/12/49/921781249.db2.gz ALKCRDBGRQJERR-WCQYABFASA-N 1 0 254.330 -0.497 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCC(=O)NCC(F)F ZINC001471630164 915604932 /nfs/dbraw/zinc/60/49/32/915604932.db2.gz MBDZENYVZRRGHO-UHFFFAOYSA-N 1 0 276.287 -0.768 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001507254451 921782182 /nfs/dbraw/zinc/78/21/82/921782182.db2.gz BLJBTCMJFSQWHO-LLVKDONJSA-N 1 0 266.345 -0.097 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1CCC(CC(N)=O)CC1 ZINC001471628827 915605442 /nfs/dbraw/zinc/60/54/42/915605442.db2.gz FOFZFVNLKIMSSS-UHFFFAOYSA-N 1 0 280.372 -0.152 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001471630231 915605502 /nfs/dbraw/zinc/60/55/02/915605502.db2.gz NEKLJEAIVWAKIQ-NEPJUHHUSA-N 1 0 294.355 -0.309 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](CC)N1CCCC1=O ZINC001507261555 921790551 /nfs/dbraw/zinc/79/05/51/921790551.db2.gz QFRUOALCNXTEEO-OLZOCXBDSA-N 1 0 295.383 -0.523 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](CC)N1CCCC1=O ZINC001507261559 921791154 /nfs/dbraw/zinc/79/11/54/921791154.db2.gz QFRUOALCNXTEEO-STQMWFEESA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001507263967 921791444 /nfs/dbraw/zinc/79/14/44/921791444.db2.gz CLDGWCXNUCGTKW-ZYHUDNBSSA-N 1 0 276.340 -0.786 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1C ZINC001507270765 921794298 /nfs/dbraw/zinc/79/42/98/921794298.db2.gz HUWGYFGEBXLMJF-MNOVXSKESA-N 1 0 267.329 -0.055 20 30 CBEDRO CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NCC#N ZINC001507265945 921794323 /nfs/dbraw/zinc/79/43/23/921794323.db2.gz WARHXDAYVZEOPS-NEPJUHHUSA-N 1 0 268.361 -0.549 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001507267132 921794366 /nfs/dbraw/zinc/79/43/66/921794366.db2.gz LAGFGRMDRKJILD-TZMCWYRMSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001507267131 921794733 /nfs/dbraw/zinc/79/47/33/921794733.db2.gz LAGFGRMDRKJILD-OCCSQVGLSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001507270055 921795770 /nfs/dbraw/zinc/79/57/70/921795770.db2.gz LJYWNAHZGACKAZ-CMPLNLGQSA-N 1 0 296.371 -0.996 20 30 CBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccc[nH]1 ZINC001507267800 921796086 /nfs/dbraw/zinc/79/60/86/921796086.db2.gz CJBXLEMBYDFQHU-WDEREUQCSA-N 1 0 289.339 -0.153 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1cc(Cl)cn1 ZINC001507266314 921796925 /nfs/dbraw/zinc/79/69/25/921796925.db2.gz YMXFVLQXFRCLGN-NSHDSACASA-N 1 0 284.747 -0.374 20 30 CBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccc[nH]1 ZINC001507267797 921797099 /nfs/dbraw/zinc/79/70/99/921797099.db2.gz CJBXLEMBYDFQHU-GHMZBOCLSA-N 1 0 289.339 -0.153 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)NC(=O)NCCC ZINC001507265521 921797277 /nfs/dbraw/zinc/79/72/77/921797277.db2.gz RJYIHBYAFBOOTI-LLVKDONJSA-N 1 0 298.387 -0.826 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1nn(CC)nc1C ZINC001507276812 921800042 /nfs/dbraw/zinc/80/00/42/921800042.db2.gz XXDUVOZGDRLPKC-NSHDSACASA-N 1 0 281.360 -0.137 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC001507300825 921803129 /nfs/dbraw/zinc/80/31/29/921803129.db2.gz ONWPYKBGZMUHHX-PWSUYJOCSA-N 1 0 291.355 -0.096 20 30 CBEDRO CC(C)C#CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001507311888 921807874 /nfs/dbraw/zinc/80/78/74/921807874.db2.gz AZYFFYPLSIWPQD-QWRGUYRKSA-N 1 0 251.330 -0.290 20 30 CBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCF ZINC001507315549 921808680 /nfs/dbraw/zinc/80/86/80/921808680.db2.gz AUOYLUMEYFRXCT-WDEREUQCSA-N 1 0 284.335 -0.045 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001507305797 921808839 /nfs/dbraw/zinc/80/88/39/921808839.db2.gz MUAQGPANBPFQKR-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001507314625 921809338 /nfs/dbraw/zinc/80/93/38/921809338.db2.gz LSCIJEUAAFJIEJ-ZIAGYGMSSA-N 1 0 289.379 -0.026 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC001507293184 921805042 /nfs/dbraw/zinc/80/50/42/921805042.db2.gz LETQPEBDMGIXLV-VXGBXAGGSA-N 1 0 291.355 -0.424 20 30 CBEDRO C[C@@H](NC(=O)NCC#CC[NH+](C)C)c1nncn1C ZINC001477357886 916006380 /nfs/dbraw/zinc/00/63/80/916006380.db2.gz OTDMAQAMFLDBCC-SNVBAGLBSA-N 1 0 264.333 -0.260 20 30 CBEDRO COCCOC[C@@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001478000813 916024870 /nfs/dbraw/zinc/02/48/70/916024870.db2.gz DQFWBRKSLWBFQQ-GFCCVEGCSA-N 1 0 271.361 -0.098 20 30 CBEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1ncn(C)c1=O ZINC001479229878 916101958 /nfs/dbraw/zinc/10/19/58/916101958.db2.gz CCOMITQUXWGHJP-GFCCVEGCSA-N 1 0 293.371 -0.309 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001479275083 916110427 /nfs/dbraw/zinc/11/04/27/916110427.db2.gz DAZQCCMJOGGXKF-UPJWGTAASA-N 1 0 281.356 -0.346 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001479284839 916110608 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CBEDRO C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001484326440 917828629 /nfs/dbraw/zinc/82/86/29/917828629.db2.gz KLIOFDIQPKGGEY-DTWKUNHWSA-N 1 0 288.298 -0.282 20 30 CBEDRO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001484337438 917831297 /nfs/dbraw/zinc/83/12/97/917831297.db2.gz ZWQQEASLPAULRQ-VHSXEESVSA-N 1 0 289.339 -0.188 20 30 CBEDRO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001484337437 917832760 /nfs/dbraw/zinc/83/27/60/917832760.db2.gz ZWQQEASLPAULRQ-UWVGGRQHSA-N 1 0 289.339 -0.188 20 30 CBEDRO C#CC[NH2+]C1CCN(CCNC(=O)CC(C)(C)O)CC1 ZINC001484417978 917838787 /nfs/dbraw/zinc/83/87/87/917838787.db2.gz LIWVKHFZCWXOTG-UHFFFAOYSA-N 1 0 281.400 -0.049 20 30 CBEDRO C=CC[N@H+]1CCC[C@](CO)(NC(=O)CNC(C)=O)C1 ZINC001484424935 917843615 /nfs/dbraw/zinc/84/36/15/917843615.db2.gz HIPHDNMAERSXOW-ZDUSSCGKSA-N 1 0 269.345 -0.748 20 30 CBEDRO C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001484433328 917848411 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ZINC001484487494 917868298 /nfs/dbraw/zinc/86/82/98/917868298.db2.gz MYPWZSBNIJAWOF-UHFFFAOYSA-N 1 0 262.313 -0.558 20 30 CBEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1cc[nH]c1 ZINC001484483159 917869597 /nfs/dbraw/zinc/86/95/97/917869597.db2.gz CJGWWKVPABNKCE-UHFFFAOYSA-N 1 0 279.340 -0.311 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cn(C)c(C)cc1=O ZINC001484485801 917870537 /nfs/dbraw/zinc/87/05/37/917870537.db2.gz WTGINWONPQREDH-UHFFFAOYSA-N 1 0 291.351 -0.649 20 30 CBEDRO COCC#CC[NH2+]CCN(CCO)C(=O)c1coc(C)n1 ZINC001484483006 917870762 /nfs/dbraw/zinc/87/07/62/917870762.db2.gz WGYNEKCKCYHJAG-UHFFFAOYSA-N 1 0 295.339 -0.343 20 30 CBEDRO C=C1CC(C)(C(=O)N(CCO)CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001484494252 917875936 /nfs/dbraw/zinc/87/59/36/917875936.db2.gz WFNVNSGDSDKLET-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1cnon1 ZINC001484497133 917878343 /nfs/dbraw/zinc/87/83/43/917878343.db2.gz OAOSEYXYWKWURD-UHFFFAOYSA-N 1 0 252.274 -0.883 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1c(C)nn(C)c1F ZINC001484499923 917880484 /nfs/dbraw/zinc/88/04/84/917880484.db2.gz KYGCDXZFRAUFRJ-UHFFFAOYSA-N 1 0 282.319 -0.475 20 30 CBEDRO COCC#CC[NH+]1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001484577926 917885530 /nfs/dbraw/zinc/88/55/30/917885530.db2.gz FNBFRHXHRXXVNY-UHFFFAOYSA-N 1 0 293.367 -0.564 20 30 CBEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001484537240 917886900 /nfs/dbraw/zinc/88/69/00/917886900.db2.gz WWIHXISVEIKQQP-MNOVXSKESA-N 1 0 266.345 -0.318 20 30 CBEDRO C#CC[NH+]1CCC2(CN(C(=O)C[C@@H](C)NC(N)=O)C2)CC1 ZINC001484577450 917887149 /nfs/dbraw/zinc/88/71/49/917887149.db2.gz HEITYPBJNYQXKH-GFCCVEGCSA-N 1 0 292.383 -0.009 20 30 CBEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2cocn2)CCC1 ZINC001484627038 917902576 /nfs/dbraw/zinc/90/25/76/917902576.db2.gz USABPHCWDSTMAD-UHFFFAOYSA-N 1 0 291.311 -0.444 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC001484625483 917905230 /nfs/dbraw/zinc/90/52/30/917905230.db2.gz FGZZLJHPPUWYKJ-NSHDSACASA-N 1 0 252.314 -0.337 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC001484666161 917911590 /nfs/dbraw/zinc/91/15/90/917911590.db2.gz XMWCQWQEVGRELZ-LBPRGKRZSA-N 1 0 294.355 -0.757 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001484666360 917911640 /nfs/dbraw/zinc/91/16/40/917911640.db2.gz BQNYQRFQQQVBDP-ZDUSSCGKSA-N 1 0 276.340 -0.126 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCO1 ZINC001484667720 917912193 /nfs/dbraw/zinc/91/21/93/917912193.db2.gz PAHQFWUCLOYJNJ-DGCLKSJQSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001484668557 917914826 /nfs/dbraw/zinc/91/48/26/917914826.db2.gz MFNMDOYWPYYWPY-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C)n[nH]2)CCO1 ZINC001484669563 917916726 /nfs/dbraw/zinc/91/67/26/917916726.db2.gz XTOXJGSYNHDKFS-NSHDSACASA-N 1 0 262.313 -0.218 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC001484675793 917917980 /nfs/dbraw/zinc/91/79/80/917917980.db2.gz JXMVPFJAGGKKIH-LBPRGKRZSA-N 1 0 272.308 -0.050 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001484675861 917918602 /nfs/dbraw/zinc/91/86/02/917918602.db2.gz LCSVQTBTFRVHSU-LBPRGKRZSA-N 1 0 263.297 -0.333 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCC#C)CCO1 ZINC001484678066 917920970 /nfs/dbraw/zinc/92/09/70/917920970.db2.gz UEHJJSHZDZRVNX-CHWSQXEVSA-N 1 0 264.325 -0.525 20 30 CBEDRO CC(C)C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001484830987 917944514 /nfs/dbraw/zinc/94/45/14/917944514.db2.gz AUZQWEHLBSKVSZ-CQSZACIVSA-N 1 0 296.371 -0.775 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC001484834390 917944818 /nfs/dbraw/zinc/94/48/18/917944818.db2.gz CHSZWUGMBIHOKC-RISCZKNCSA-N 1 0 296.371 -0.823 20 30 CBEDRO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001484852028 917946348 /nfs/dbraw/zinc/94/63/48/917946348.db2.gz XGGQBVNKHHBGEY-AWEZNQCLSA-N 1 0 295.383 -0.358 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)C2CC(OC)C2)C1 ZINC001484842825 917947037 /nfs/dbraw/zinc/94/70/37/917947037.db2.gz YFLBABRFJMXZNV-SSDMNJCBSA-N 1 0 280.368 -0.012 20 30 CBEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cn(C)nn2)C1 ZINC001484837796 917947633 /nfs/dbraw/zinc/94/76/33/917947633.db2.gz CCSGNXHOIQZVQK-AWEZNQCLSA-N 1 0 291.355 -0.605 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001484850194 917947952 /nfs/dbraw/zinc/94/79/52/917947952.db2.gz VOGYEEISBJINKF-ZIAGYGMSSA-N 1 0 284.331 -0.309 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C2CC(OC)C2)C1 ZINC001484842824 917948502 /nfs/dbraw/zinc/94/85/02/917948502.db2.gz YFLBABRFJMXZNV-PIMMBPRGSA-N 1 0 280.368 -0.012 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCOCC1 ZINC001484861426 917950492 /nfs/dbraw/zinc/95/04/92/917950492.db2.gz QYDCKYJYTORBIP-QWRGUYRKSA-N 1 0 294.355 -0.710 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001484879974 917954349 /nfs/dbraw/zinc/95/43/49/917954349.db2.gz RUOUAPDCZUZURX-PWSUYJOCSA-N 1 0 251.330 -0.466 20 30 CBEDRO CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001484877017 917955246 /nfs/dbraw/zinc/95/52/46/917955246.db2.gz MWTCWQFNOWWYJA-VHSXEESVSA-N 1 0 252.318 -0.527 20 30 CBEDRO C=CC[NH2+]CC1(NC(=O)CCn2cnnn2)CCOCC1 ZINC001484870862 917955549 /nfs/dbraw/zinc/95/55/49/917955549.db2.gz JNUYKJZRNNQNCT-UHFFFAOYSA-N 1 0 294.359 -0.496 20 30 CBEDRO CC#CC[NH2+]CC1(NC(=O)CCCC(N)=O)CCOCC1 ZINC001484873058 917956279 /nfs/dbraw/zinc/95/62/79/917956279.db2.gz SZJLYFKYSZOTBS-UHFFFAOYSA-N 1 0 295.383 -0.080 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001484885711 917957485 /nfs/dbraw/zinc/95/74/85/917957485.db2.gz WOBDEKNDWMQWFF-NWDGAFQWSA-N 1 0 291.355 -0.485 20 30 CBEDRO CC(C)C#CC(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001484944892 917966886 /nfs/dbraw/zinc/96/68/86/917966886.db2.gz ILEAJMSWLVJGAG-CQSZACIVSA-N 1 0 293.411 -0.145 20 30 CBEDRO C#CCOCCC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001484916274 917968089 /nfs/dbraw/zinc/96/80/89/917968089.db2.gz MIDURDDRRMATSP-UHFFFAOYSA-N 1 0 268.357 -0.011 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001484954581 917971407 /nfs/dbraw/zinc/97/14/07/917971407.db2.gz PQYYAOMVUQEVAE-LBPRGKRZSA-N 1 0 295.383 -0.358 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)CCC(=O)NCC)CC1 ZINC001484949111 917971616 /nfs/dbraw/zinc/97/16/16/917971616.db2.gz AYLLKCKXLYLWKE-UHFFFAOYSA-N 1 0 295.383 -0.521 20 30 CBEDRO COCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001484949665 917971961 /nfs/dbraw/zinc/97/19/61/917971961.db2.gz KQNODUPGGLSJNA-LLVKDONJSA-N 1 0 269.345 -0.264 20 30 CBEDRO N#CCN1CC[NH+](CCCCCNC(=O)CC(N)=O)CC1 ZINC001485010159 917981189 /nfs/dbraw/zinc/98/11/89/917981189.db2.gz ULDGSEIQQAKZHR-UHFFFAOYSA-N 1 0 295.387 -0.711 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001485016044 917982051 /nfs/dbraw/zinc/98/20/51/917982051.db2.gz WAKQUVYCMYKYJN-VXGBXAGGSA-N 1 0 294.351 -0.628 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)COCC=C)CC1 ZINC001485015413 917982315 /nfs/dbraw/zinc/98/23/15/917982315.db2.gz FGDGJRRAXOKJDE-UHFFFAOYSA-N 1 0 266.341 -0.235 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C(C)C)C1 ZINC001485084366 917991764 /nfs/dbraw/zinc/99/17/64/917991764.db2.gz OPSCWDFPFURPPP-UHFFFAOYSA-N 1 0 265.357 -0.124 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCO2)C1 ZINC001485082572 917992085 /nfs/dbraw/zinc/99/20/85/917992085.db2.gz CPGXIAVJQRJWIJ-BPCQOVAHSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CC[NH2+]CC1CC(NC(=O)Cn2cnnn2)C1 ZINC001485084332 917993017 /nfs/dbraw/zinc/99/30/17/917993017.db2.gz OHTYDORVHWAROL-UHFFFAOYSA-N 1 0 250.306 -0.657 20 30 CBEDRO C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001485090633 917993048 /nfs/dbraw/zinc/99/30/48/917993048.db2.gz PXZLMTSCAPBGOM-HTAVTVPLSA-N 1 0 297.355 -0.218 20 30 CBEDRO C#CCC[NH2+]CC1CC(NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001485094373 917995325 /nfs/dbraw/zinc/99/53/25/917995325.db2.gz RPOCRVLGDMUYJZ-UHFFFAOYSA-N 1 0 288.351 -0.098 20 30 CBEDRO C#CC[NH2+]CC1CC(NC(=O)CCCCNC(N)=O)C1 ZINC001485098538 917995365 /nfs/dbraw/zinc/99/53/65/917995365.db2.gz MFIMVOFEZAMHRJ-UHFFFAOYSA-N 1 0 280.372 -0.057 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(C)no1 ZINC001485121170 918000125 /nfs/dbraw/zinc/00/01/25/918000125.db2.gz LDCIICYWAHVCGN-GHMZBOCLSA-N 1 0 292.339 -0.171 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001485125605 918001410 /nfs/dbraw/zinc/00/14/10/918001410.db2.gz QXNMCVQPTDSBQK-VHSXEESVSA-N 1 0 279.344 -0.192 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C)no1 ZINC001485121173 918001872 /nfs/dbraw/zinc/00/18/72/918001872.db2.gz LDCIICYWAHVCGN-WDEREUQCSA-N 1 0 292.339 -0.171 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001485124768 918002894 /nfs/dbraw/zinc/00/28/94/918002894.db2.gz IMUQXNORZQAKOY-VHSXEESVSA-N 1 0 251.330 -0.371 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001485129457 918005598 /nfs/dbraw/zinc/00/55/98/918005598.db2.gz VPCPIDTXGPQXMW-UWVGGRQHSA-N 1 0 260.359 -0.463 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001485142388 918009758 /nfs/dbraw/zinc/00/97/58/918009758.db2.gz NUMBCKYDMTUFRY-RYUDHWBXSA-N 1 0 295.383 -0.403 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001485142389 918011802 /nfs/dbraw/zinc/01/18/02/918011802.db2.gz NUMBCKYDMTUFRY-VXGBXAGGSA-N 1 0 295.383 -0.403 20 30 CBEDRO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)[NH2+]CCOCCO ZINC001485140518 918011974 /nfs/dbraw/zinc/01/19/74/918011974.db2.gz RSTAYMRJLFUHOH-GHMZBOCLSA-N 1 0 294.355 -0.008 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001485151750 918013930 /nfs/dbraw/zinc/01/39/30/918013930.db2.gz BKKHLPHMEYFCNY-GHMZBOCLSA-N 1 0 271.361 -0.240 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cncn1C ZINC001485167924 918019248 /nfs/dbraw/zinc/01/92/48/918019248.db2.gz XWEHVBZYCABIKA-QWRGUYRKSA-N 1 0 293.371 -0.181 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001485164520 918019805 /nfs/dbraw/zinc/01/98/05/918019805.db2.gz XOKQBZQLNCQDIJ-UWVGGRQHSA-N 1 0 260.359 -0.463 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001485167156 918019900 /nfs/dbraw/zinc/01/99/00/918019900.db2.gz UOLVNUQOUUDMTB-RKDXNWHRSA-N 1 0 299.352 -0.343 20 30 CBEDRO CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001485224517 918031145 /nfs/dbraw/zinc/03/11/45/918031145.db2.gz IKAMOTISZGMCRY-GHMZBOCLSA-N 1 0 279.340 -0.359 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001485229353 918033704 /nfs/dbraw/zinc/03/37/04/918033704.db2.gz XTUYWNUGLLONLA-IUCAKERBSA-N 1 0 278.312 -0.785 20 30 CBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001485279212 918051282 /nfs/dbraw/zinc/05/12/82/918051282.db2.gz PTAZYWCAPUYKHJ-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001485299509 918062102 /nfs/dbraw/zinc/06/21/02/918062102.db2.gz DKELIPSUPWUPHK-LLVKDONJSA-N 1 0 279.344 -0.485 20 30 CBEDRO CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCNC(=O)COC ZINC001485310908 918065821 /nfs/dbraw/zinc/06/58/21/918065821.db2.gz VBKXLEYDAWWVMC-GFCCVEGCSA-N 1 0 283.372 -0.401 20 30 CBEDRO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001485308880 918069515 /nfs/dbraw/zinc/06/95/15/918069515.db2.gz GWGRPJLSRSPROK-LBPRGKRZSA-N 1 0 283.372 -0.449 20 30 CBEDRO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001485323823 918073156 /nfs/dbraw/zinc/07/31/56/918073156.db2.gz UPPXZIKMBWCNTC-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001485323578 918074649 /nfs/dbraw/zinc/07/46/49/918074649.db2.gz QZSNJCWLUFVZCH-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001485338443 918077324 /nfs/dbraw/zinc/07/73/24/918077324.db2.gz LEJNHGQJVXTKQE-RYUDHWBXSA-N 1 0 296.371 -0.904 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001485337627 918081366 /nfs/dbraw/zinc/08/13/66/918081366.db2.gz ZGALIIUCWADUQI-QWRGUYRKSA-N 1 0 253.346 -0.042 20 30 CBEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001485379761 918100047 /nfs/dbraw/zinc/10/00/47/918100047.db2.gz RMQUMSASOZUBAM-LLVKDONJSA-N 1 0 295.387 -0.097 20 30 CBEDRO C#CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001485390350 918104795 /nfs/dbraw/zinc/10/47/95/918104795.db2.gz ZDYNLMWLUNVAHH-CYBMUJFWSA-N 1 0 296.415 -0.488 20 30 CBEDRO C#CCN1CC(CCO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485420054 918119708 /nfs/dbraw/zinc/11/97/08/918119708.db2.gz BEUKTYNESDHZOS-UHFFFAOYSA-N 1 0 293.411 -0.096 20 30 CBEDRO CC#CC[NH+]1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001485535148 918139881 /nfs/dbraw/zinc/13/98/81/918139881.db2.gz GZDBXPDUNVCNAT-JTQLQIEISA-N 1 0 266.345 -0.495 20 30 CBEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@@H]2C1 ZINC001485586970 918149219 /nfs/dbraw/zinc/14/92/19/918149219.db2.gz PQSGJUDVBBXDDC-XYJRDEOASA-N 1 0 265.357 -0.009 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001485600668 918153469 /nfs/dbraw/zinc/15/34/69/918153469.db2.gz WRWZOPSICBVIRS-XYYAHUGASA-N 1 0 250.342 -0.068 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001485610739 918153637 /nfs/dbraw/zinc/15/36/37/918153637.db2.gz BEUXDIISTRYEOV-ZDEQEGDKSA-N 1 0 277.368 -0.185 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)=O)CCO1 ZINC001485632679 918157940 /nfs/dbraw/zinc/15/79/40/918157940.db2.gz JZRWRWQTUIUUCB-DGCLKSJQSA-N 1 0 283.372 -0.144 20 30 CBEDRO C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CNC(=O)NC)CCO1 ZINC001485638051 918160375 /nfs/dbraw/zinc/16/03/75/918160375.db2.gz GGQSHRGONNGBQB-VXGBXAGGSA-N 1 0 298.387 -0.303 20 30 CBEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001485675680 918167310 /nfs/dbraw/zinc/16/73/10/918167310.db2.gz CMHMGABUFFNTIV-MGCOHNPYSA-N 1 0 258.343 -0.851 20 30 CBEDRO CO[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001485675752 918168454 /nfs/dbraw/zinc/16/84/54/918168454.db2.gz GHDMGQXFNRGMAP-GMTAPVOTSA-N 1 0 282.344 -0.855 20 30 CBEDRO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001485692887 918171357 /nfs/dbraw/zinc/17/13/57/918171357.db2.gz WDTRGVPYIJCOFY-JOCQHMNTSA-N 1 0 294.399 -0.521 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](F)CC)C1 ZINC001485693883 918172142 /nfs/dbraw/zinc/17/21/42/918172142.db2.gz QUZSKNAUEZVDSQ-IJLUTSLNSA-N 1 0 283.347 -0.032 20 30 CBEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001485735520 918178284 /nfs/dbraw/zinc/17/82/84/918178284.db2.gz KHNFATIBWKDWEG-VHSXEESVSA-N 1 0 254.334 -0.272 20 30 CBEDRO C#CCC[NH2+]CCC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001485742045 918181975 /nfs/dbraw/zinc/18/19/75/918181975.db2.gz FDCXOVCOMAAOSI-LLVKDONJSA-N 1 0 293.367 -0.063 20 30 CBEDRO CC#CC[NH2+]CCC[C@H](C)NC(=O)CCNC(N)=O ZINC001485748217 918183306 /nfs/dbraw/zinc/18/33/06/918183306.db2.gz GDDUTZIQXSXWAU-NSHDSACASA-N 1 0 268.361 -0.057 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(C)C ZINC001485789373 918189982 /nfs/dbraw/zinc/18/99/82/918189982.db2.gz HHYZXIKXADFBGQ-GRYCIOLGSA-N 1 0 265.357 -0.139 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001485794449 918189997 /nfs/dbraw/zinc/18/99/97/918189997.db2.gz OGUUVUMTCSJEAN-HNNXBMFYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=CC[N@H+](C)CCOCCNC(=O)c1cnon1 ZINC001485777513 918191803 /nfs/dbraw/zinc/19/18/03/918191803.db2.gz PXEXCAZSBSRWSO-UHFFFAOYSA-N 1 0 254.290 -0.066 20 30 CBEDRO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001485815527 918193575 /nfs/dbraw/zinc/19/35/75/918193575.db2.gz LOTRGRUFAWBWFM-GFCCVEGCSA-N 1 0 293.371 -0.406 20 30 CBEDRO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001485822585 918193663 /nfs/dbraw/zinc/19/36/63/918193663.db2.gz QQINWJYKBAJTOF-LLVKDONJSA-N 1 0 276.344 -0.326 20 30 CBEDRO C[C@H](CN(C)C(=O)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001485840600 918199856 /nfs/dbraw/zinc/19/98/56/918199856.db2.gz QUOYHYADRPNCLD-SNVBAGLBSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)COC(C)C ZINC001485856340 918205640 /nfs/dbraw/zinc/20/56/40/918205640.db2.gz VLTFAVCREOBSTM-STQMWFEESA-N 1 0 297.399 -0.014 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cscn1 ZINC001485852509 918207751 /nfs/dbraw/zinc/20/77/51/918207751.db2.gz AUSLIUIPADEWCP-JTQLQIEISA-N 1 0 294.380 -0.057 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001485894783 918221593 /nfs/dbraw/zinc/22/15/93/918221593.db2.gz VMCJMHJQKKYRFW-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001485911761 918225732 /nfs/dbraw/zinc/22/57/32/918225732.db2.gz JHAMQKCLEFTISL-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001485915298 918226010 /nfs/dbraw/zinc/22/60/10/918226010.db2.gz VUWCCNLSEHIQJD-NWDGAFQWSA-N 1 0 289.383 -0.010 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccoc1CC(N)=O ZINC001485913763 918227490 /nfs/dbraw/zinc/22/74/90/918227490.db2.gz FPAQEKRQWQYZDK-SNVBAGLBSA-N 1 0 277.324 -0.009 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001485931969 918234264 /nfs/dbraw/zinc/23/42/64/918234264.db2.gz MZSWRJYGPZXZFY-SNVBAGLBSA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccsc1 ZINC001485971331 918252787 /nfs/dbraw/zinc/25/27/87/918252787.db2.gz UJKFWPDXTBHPQT-LLVKDONJSA-N 1 0 252.339 -0.010 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cn1cccn1 ZINC001485974172 918257413 /nfs/dbraw/zinc/25/74/13/918257413.db2.gz WYIXUWPQWMZSDJ-NSHDSACASA-N 1 0 252.318 -0.474 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1C=CCC1 ZINC001485971772 918259395 /nfs/dbraw/zinc/25/93/95/918259395.db2.gz BGIJIPIRAOGIBP-OLZOCXBDSA-N 1 0 293.367 -0.841 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CSC ZINC001485979953 918270739 /nfs/dbraw/zinc/27/07/39/918270739.db2.gz PWNDRANAEWLWSP-NWDGAFQWSA-N 1 0 288.413 -0.298 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCOC1 ZINC001485986962 918281988 /nfs/dbraw/zinc/28/19/88/918281988.db2.gz XRJHBFUKUOLGGT-STQMWFEESA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001485987021 918282205 /nfs/dbraw/zinc/28/22/05/918282205.db2.gz INRGVFKERFJGHE-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ocnc1C ZINC001485984784 918282245 /nfs/dbraw/zinc/28/22/45/918282245.db2.gz RRGYZBHLBMZFPU-SNVBAGLBSA-N 1 0 251.286 -0.313 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001485990609 918283790 /nfs/dbraw/zinc/28/37/90/918283790.db2.gz WJTSYDGQRJCNEW-RYUDHWBXSA-N 1 0 281.360 -0.128 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CC[C@@H](C)OC ZINC001485990847 918286590 /nfs/dbraw/zinc/28/65/90/918286590.db2.gz WZZOFFICVDOPET-NEPJUHHUSA-N 1 0 256.346 -0.109 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCc1ccnn1C ZINC001486001270 918294214 /nfs/dbraw/zinc/29/42/14/918294214.db2.gz ZTPXJNOFMZNNLX-LBPRGKRZSA-N 1 0 278.356 -0.557 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccn(CC(C)C)n1 ZINC001486000311 918294625 /nfs/dbraw/zinc/29/46/25/918294625.db2.gz PKLVCODPTYUDKE-GFCCVEGCSA-N 1 0 278.356 -0.147 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1OCC[C@H]1CC ZINC001486004654 918297953 /nfs/dbraw/zinc/29/79/53/918297953.db2.gz LRVJEBJPXPZNQA-UTUOFQBUSA-N 1 0 254.330 -0.499 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1nc(OC)cc(OC)n1 ZINC001486008520 918301087 /nfs/dbraw/zinc/30/10/87/918301087.db2.gz KCYPLGJGDDOLGR-SECBINFHSA-N 1 0 296.327 -0.640 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001486009653 918301319 /nfs/dbraw/zinc/30/13/19/918301319.db2.gz YYIQMXCYCHWQRX-JTQLQIEISA-N 1 0 278.312 -0.887 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001486008547 918302415 /nfs/dbraw/zinc/30/24/15/918302415.db2.gz KOZYIHABLXKQEU-GFCCVEGCSA-N 1 0 277.324 -0.911 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cn2cccnc2n1 ZINC001486010763 918303208 /nfs/dbraw/zinc/30/32/08/918303208.db2.gz GAOGACANLHXMFH-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cnccc1OC ZINC001486008661 918303778 /nfs/dbraw/zinc/30/37/78/918303778.db2.gz QOGAZPYNSLQJSW-CYBMUJFWSA-N 1 0 291.351 -0.277 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001486013988 918308106 /nfs/dbraw/zinc/30/81/06/918308106.db2.gz ISDIHSLPYWILBS-VIFPVBQESA-N 1 0 279.296 -0.918 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2cccnc12 ZINC001486021368 918309648 /nfs/dbraw/zinc/30/96/48/918309648.db2.gz LYXAWYALJLSPTE-SNVBAGLBSA-N 1 0 273.296 -0.957 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001486018695 918310829 /nfs/dbraw/zinc/31/08/29/918310829.db2.gz CHBQVZQIKXLUBY-JTQLQIEISA-N 1 0 281.312 -0.365 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001486018907 918311252 /nfs/dbraw/zinc/31/12/52/918311252.db2.gz HTOQLOJJZYYDFN-MJBXVCDLSA-N 1 0 280.368 -0.109 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001486027213 918319200 /nfs/dbraw/zinc/31/92/00/918319200.db2.gz KPKVNNMACRCNPL-ZIAGYGMSSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ocnc1C1CC1 ZINC001486033494 918326620 /nfs/dbraw/zinc/32/66/20/918326620.db2.gz ILSKYOCICPQIPV-JTQLQIEISA-N 1 0 263.297 -0.135 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C)nn1CC ZINC001486036038 918329060 /nfs/dbraw/zinc/32/90/60/918329060.db2.gz HPLJYZRSQGTKNV-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C[C@@H](C(=O)NC[C@@H](CO)NCC#N)[NH+]1CCCCCC1 ZINC001486041170 918332679 /nfs/dbraw/zinc/33/26/79/918332679.db2.gz LHMBOLWSQZIEQZ-STQMWFEESA-N 1 0 282.388 -0.159 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486041279 918335264 /nfs/dbraw/zinc/33/52/64/918335264.db2.gz NUWXAXFECJTBPT-RYUDHWBXSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]CC ZINC001486041280 918337355 /nfs/dbraw/zinc/33/73/55/918337355.db2.gz NUWXAXFECJTBPT-VXGBXAGGSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1ncccn1 ZINC001486042958 918338747 /nfs/dbraw/zinc/33/87/47/918338747.db2.gz INTRCENPIVUSJQ-LLVKDONJSA-N 1 0 262.313 -0.891 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C(F)F)c1 ZINC001486047804 918339950 /nfs/dbraw/zinc/33/99/50/918339950.db2.gz MZQRIDBQOCBACG-JTQLQIEISA-N 1 0 286.282 -0.018 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1cn(CC)nn1 ZINC001486048146 918341848 /nfs/dbraw/zinc/34/18/48/918341848.db2.gz QEOMXFGMNXRQFZ-NSHDSACASA-N 1 0 281.360 -0.056 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001486049614 918345328 /nfs/dbraw/zinc/34/53/28/918345328.db2.gz XYOJHBFHFOMLAC-SNVBAGLBSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001486051155 918347607 /nfs/dbraw/zinc/34/76/07/918347607.db2.gz WKQLUSMTGMXSJI-RYUDHWBXSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCOCC)nc1 ZINC001486054868 918350751 /nfs/dbraw/zinc/35/07/51/918350751.db2.gz 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CC(C)C#CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001496340718 920059693 /nfs/dbraw/zinc/05/96/93/920059693.db2.gz LITCKJYNRFHREP-NWDGAFQWSA-N 1 0 265.357 -0.042 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001496340713 920060874 /nfs/dbraw/zinc/06/08/74/920060874.db2.gz LITCKJYNRFHREP-NEPJUHHUSA-N 1 0 265.357 -0.042 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001496357109 920061231 /nfs/dbraw/zinc/06/12/31/920061231.db2.gz CYNLWKXPWOCRBA-STQMWFEESA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)COC)C(C)C ZINC001496513162 920078985 /nfs/dbraw/zinc/07/89/85/920078985.db2.gz IQAINXRUAOBAMH-LLVKDONJSA-N 1 0 269.345 -0.887 20 30 CBEDRO CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001496535270 920082162 /nfs/dbraw/zinc/08/21/62/920082162.db2.gz UPUFJXLQMZIHBF-ZJUUUORDSA-N 1 0 294.359 -0.502 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001496550711 920087118 /nfs/dbraw/zinc/08/71/18/920087118.db2.gz 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C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001496940261 920162323 /nfs/dbraw/zinc/16/23/23/920162323.db2.gz VBWJDOJJEVORIX-CYBMUJFWSA-N 1 0 279.340 -0.034 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1C ZINC001496945210 920164094 /nfs/dbraw/zinc/16/40/94/920164094.db2.gz SXPWNBCXELGQPR-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001496948493 920168496 /nfs/dbraw/zinc/16/84/96/920168496.db2.gz YPGUHDRYEZEENF-GHMZBOCLSA-N 1 0 250.302 -0.856 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001496948496 920169134 /nfs/dbraw/zinc/16/91/34/920169134.db2.gz YPGUHDRYEZEENF-MNOVXSKESA-N 1 0 250.302 -0.856 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001496955272 920172170 /nfs/dbraw/zinc/17/21/70/920172170.db2.gz NONKAYKNNVPHOG-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001496955326 920174236 /nfs/dbraw/zinc/17/42/36/920174236.db2.gz OFJRZNKWFPDZQM-GXSJLCMTSA-N 1 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/nfs/dbraw/zinc/18/98/28/920189828.db2.gz UZSUUKOKUWXESU-GFCCVEGCSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1ccn(CC)n1 ZINC001496979314 920190922 /nfs/dbraw/zinc/19/09/22/920190922.db2.gz PYDZIMNOYJRYOG-ZDUSSCGKSA-N 1 0 278.356 -0.465 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCOCC(F)F ZINC001496979545 920190974 /nfs/dbraw/zinc/19/09/74/920190974.db2.gz JGRPXUBVOXOWPL-LLVKDONJSA-N 1 0 290.310 -0.252 20 30 CBEDRO Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001496979080 920191321 /nfs/dbraw/zinc/19/13/21/920191321.db2.gz DOPLFXUKBYERSV-CYBMUJFWSA-N 1 0 277.324 -0.037 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001496978748 920191338 /nfs/dbraw/zinc/19/13/38/920191338.db2.gz JXHXERAGHADKDV-LLVKDONJSA-N 1 0 279.344 -0.131 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C2CCC2)c1 ZINC001496979651 920191549 /nfs/dbraw/zinc/19/15/49/920191549.db2.gz AWGVNEMTIMTARH-ZDUSSCGKSA-N 1 0 276.340 -0.078 20 30 CBEDRO COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001496979055 920191616 /nfs/dbraw/zinc/19/16/16/920191616.db2.gz DAVMGZKZQHPAJX-NWDGAFQWSA-N 1 0 286.372 -0.890 20 30 CBEDRO CCc1[nH]ccc1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496976652 920191993 /nfs/dbraw/zinc/19/19/93/920191993.db2.gz PBBZJNVSYJECMU-LBPRGKRZSA-N 1 0 293.367 -0.093 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001496985986 920194695 /nfs/dbraw/zinc/19/46/95/920194695.db2.gz MJVDCYHVPFFODD-GFCCVEGCSA-N 1 0 281.360 -0.262 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001496991170 920195199 /nfs/dbraw/zinc/19/51/99/920195199.db2.gz LIWBJQIGTNTBSC-QWRGUYRKSA-N 1 0 297.355 -0.833 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001496987877 920195342 /nfs/dbraw/zinc/19/53/42/920195342.db2.gz VHAJERZUWOMDEW-LBPRGKRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001497002517 920200480 /nfs/dbraw/zinc/20/04/80/920200480.db2.gz LWHDGCFWNMRDFM-GFCCVEGCSA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C1CCC1 ZINC001497003782 920200833 /nfs/dbraw/zinc/20/08/33/920200833.db2.gz SLZYOLHEDCLSNE-DGCLKSJQSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1nc(CC)c[nH]1 ZINC001496999808 920200874 /nfs/dbraw/zinc/20/08/74/920200874.db2.gz YYTUORWNTIPPJT-GFCCVEGCSA-N 1 0 278.356 -0.395 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccsn1 ZINC001497001421 920202927 /nfs/dbraw/zinc/20/29/27/920202927.db2.gz GPVAQOBTIAQOLA-VIFPVBQESA-N 1 0 298.368 -0.874 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(CN(C)C)on1 ZINC001497005678 920203861 /nfs/dbraw/zinc/20/38/61/920203861.db2.gz NZZLDGRTRBVESK-LLVKDONJSA-N 1 0 294.355 -0.560 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccnnc1C ZINC001497010137 920205885 /nfs/dbraw/zinc/20/58/85/920205885.db2.gz XIYVWKYVXQDNMX-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2ncn(C)c21 ZINC001497011370 920207345 /nfs/dbraw/zinc/20/73/45/920207345.db2.gz OANIPNWOZIPJCM-NSHDSACASA-N 1 0 286.335 -0.113 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001497033049 920215402 /nfs/dbraw/zinc/21/54/02/920215402.db2.gz OPKPHIBFHCHFKR-VXGBXAGGSA-N 1 0 297.399 -0.066 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1c(C)nn(C)c1C ZINC001497030987 920217024 /nfs/dbraw/zinc/21/70/24/920217024.db2.gz VXOCZAKFXMMZRD-ZDUSSCGKSA-N 1 0 292.383 -0.331 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001497034640 920218371 /nfs/dbraw/zinc/21/83/71/920218371.db2.gz RCVXHYRAORUQEE-PWSUYJOCSA-N 1 0 297.399 -0.068 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497042607 920222548 /nfs/dbraw/zinc/22/25/48/920222548.db2.gz YHMARPYHJFKAHV-CYBMUJFWSA-N 1 0 291.351 -0.190 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497040810 920224012 /nfs/dbraw/zinc/22/40/12/920224012.db2.gz OIIUQBXALKSCSJ-LBPRGKRZSA-N 1 0 279.340 -0.028 20 30 CBEDRO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCC#N)CC[N@@H+]1C ZINC001497040759 920225006 /nfs/dbraw/zinc/22/50/06/920225006.db2.gz NZSWOPOOVWJUOM-SDDRHHMPSA-N 1 0 268.361 -0.693 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c1CC ZINC001497052510 920230844 /nfs/dbraw/zinc/23/08/44/920230844.db2.gz DLEUUNJXFGUFKG-NSHDSACASA-N 1 0 263.341 -0.099 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCc1cn(C)nc1C ZINC001497065836 920235109 /nfs/dbraw/zinc/23/51/09/920235109.db2.gz FDCNZDFMCZJKNZ-AWEZNQCLSA-N 1 0 292.383 -0.249 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001497070382 920238087 /nfs/dbraw/zinc/23/80/87/920238087.db2.gz MZCTVRJLWMMPFN-PWSUYJOCSA-N 1 0 290.385 -0.794 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001497070177 920239258 /nfs/dbraw/zinc/23/92/58/920239258.db2.gz JDSJXGRSABAIGC-VIFPVBQESA-N 1 0 289.763 -0.668 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OC)o1 ZINC001497081688 920242414 /nfs/dbraw/zinc/24/24/14/920242414.db2.gz TVLYEHDQSXRUPT-VIFPVBQESA-N 1 0 252.270 -0.398 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001497082864 920243972 /nfs/dbraw/zinc/24/39/72/920243972.db2.gz RHONZZLDUNSRIT-TZMCWYRMSA-N 1 0 292.383 -0.311 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CCC)nc1C ZINC001497079054 920245389 /nfs/dbraw/zinc/24/53/89/920245389.db2.gz ATNGXRDRTCLPRK-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(CC)c1 ZINC001497090556 920247158 /nfs/dbraw/zinc/24/71/58/920247158.db2.gz ITTNTONQZUYOGH-GFCCVEGCSA-N 1 0 264.329 -0.855 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1sc(COC)nc1C ZINC001497099952 920248175 /nfs/dbraw/zinc/24/81/75/920248175.db2.gz WAHKHQDHXCAKII-JTQLQIEISA-N 1 0 297.380 -0.089 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001497099844 920248584 /nfs/dbraw/zinc/24/85/84/920248584.db2.gz VRELBYCJPKCIDE-UONOGXRCSA-N 1 0 287.363 -0.114 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCN1CCCC1=O ZINC001497108973 920249710 /nfs/dbraw/zinc/24/97/10/920249710.db2.gz CRLNRUPAVCGQML-GFCCVEGCSA-N 1 0 281.356 -0.911 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001497105696 920249934 /nfs/dbraw/zinc/24/99/34/920249934.db2.gz RGGZXIGPTUOGJY-NSHDSACASA-N 1 0 294.355 -0.573 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1 ZINC001497127079 920257677 /nfs/dbraw/zinc/25/76/77/920257677.db2.gz RHIZJWVYWCPHAU-LBPRGKRZSA-N 1 0 266.345 -0.084 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)SC ZINC001497147512 920259197 /nfs/dbraw/zinc/25/91/97/920259197.db2.gz UWEVGJIAHKJNHD-GHMZBOCLSA-N 1 0 285.413 -0.028 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCS(C)(=O)=O ZINC001497155853 920263131 /nfs/dbraw/zinc/26/31/31/920263131.db2.gz YKUSAHGCFOAKHJ-UWVGGRQHSA-N 1 0 275.374 -0.325 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001497155825 920263996 /nfs/dbraw/zinc/26/39/96/920263996.db2.gz XZUWGUXXHFZCFT-MNOVXSKESA-N 1 0 264.333 -0.078 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001497161986 920266586 /nfs/dbraw/zinc/26/65/86/920266586.db2.gz QWBARHBVYLVXLZ-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001497200540 920270566 /nfs/dbraw/zinc/27/05/66/920270566.db2.gz CGHFYCLANOSENK-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001497238138 920272977 /nfs/dbraw/zinc/27/29/77/920272977.db2.gz MBGJKPHIISLUNO-LLVKDONJSA-N 1 0 281.360 -0.358 20 30 CBEDRO CC#CCCCC(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001497251330 920273300 /nfs/dbraw/zinc/27/33/00/920273300.db2.gz FTKYBMZEVHMRAI-NSHDSACASA-N 1 0 296.371 -0.141 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1n[nH]cc1F ZINC001497265200 920277305 /nfs/dbraw/zinc/27/73/05/920277305.db2.gz SYUOPKYIASPOTC-MRVPVSSYSA-N 1 0 296.306 -0.713 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001497339213 920288052 /nfs/dbraw/zinc/28/80/52/920288052.db2.gz JJPDKAADNVFJSO-UWVGGRQHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C=CCOCC(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O ZINC001497359848 920293138 /nfs/dbraw/zinc/29/31/38/920293138.db2.gz YMSQFXFWSMTGGW-LBPRGKRZSA-N 1 0 283.372 -0.142 20 30 CBEDRO CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H](C)C#N ZINC001497361791 920293246 /nfs/dbraw/zinc/29/32/46/920293246.db2.gz JIRHYGYGBPSLJA-SNVBAGLBSA-N 1 0 254.334 -0.328 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCNC(=O)C1 ZINC001497373622 920297620 /nfs/dbraw/zinc/29/76/20/920297620.db2.gz MZJHQDRPRVWUPR-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001497378382 920298681 /nfs/dbraw/zinc/29/86/81/920298681.db2.gz ZQDCKPKAZJDYFH-DOMZBBRYSA-N 1 0 297.399 -0.018 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001497415026 920301885 /nfs/dbraw/zinc/30/18/85/920301885.db2.gz LPONTLXWEGGMGQ-LLVKDONJSA-N 1 0 291.355 -0.383 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCNC1=O ZINC001497437029 920305426 /nfs/dbraw/zinc/30/54/26/920305426.db2.gz PDTHOTPPLHIIIW-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cccnc1 ZINC001497519511 920315553 /nfs/dbraw/zinc/31/55/53/920315553.db2.gz QBBBIFASYYXYFZ-UPHRSURJSA-N 1 0 287.323 -0.403 20 30 CBEDRO CC(F)(F)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497511115 920316640 /nfs/dbraw/zinc/31/66/40/920316640.db2.gz NLMFWEPIQVGLSV-NSCUHMNNSA-N 1 0 274.271 -0.457 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnsn1 ZINC001497537916 920323788 /nfs/dbraw/zinc/32/37/88/920323788.db2.gz PFBIAPSYYQWVBF-ONEGZZNKSA-N 1 0 295.368 -0.284 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)CN(C)C(C)=O ZINC001497535172 920325728 /nfs/dbraw/zinc/32/57/28/920325728.db2.gz MSTQDRBHEVECRV-SREVYHEPSA-N 1 0 251.330 -0.250 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)CN(C)C(C)=O ZINC001497535175 920326389 /nfs/dbraw/zinc/32/63/89/920326389.db2.gz MSTQDRBHEVECRV-VOTSOKGWSA-N 1 0 251.330 -0.250 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)c1cnn(C)c1N ZINC001497565661 920338072 /nfs/dbraw/zinc/33/80/72/920338072.db2.gz CBHXVAOYKUOXPS-ONEGZZNKSA-N 1 0 291.355 -0.472 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C ZINC001497572181 920340394 /nfs/dbraw/zinc/34/03/94/920340394.db2.gz JYBLKTMPIRBZGJ-AFNCTOJWSA-N 1 0 283.372 -0.336 20 30 CBEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001497585654 920351387 /nfs/dbraw/zinc/35/13/87/920351387.db2.gz LWVIPZCFCNCEJO-ARJAWSKDSA-N 1 0 292.343 -0.785 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1csnn1 ZINC001497643813 920356388 /nfs/dbraw/zinc/35/63/88/920356388.db2.gz GEHLIHAAXDILJA-ONEGZZNKSA-N 1 0 295.368 -0.284 20 30 CBEDRO C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001497690421 920371309 /nfs/dbraw/zinc/37/13/09/920371309.db2.gz CDXDHOJPHRFJSA-GZTOBOFZSA-N 1 0 294.355 -0.187 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)Cc1c[nH]cn1 ZINC001497686079 920373336 /nfs/dbraw/zinc/37/33/36/920373336.db2.gz RRSQGPQTOBEVHQ-IHWYPQMZSA-N 1 0 276.340 -0.136 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1CC1 ZINC001497774457 920380879 /nfs/dbraw/zinc/38/08/79/920380879.db2.gz NZYRMYOJBFOVJY-SNVBAGLBSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C)OC ZINC001497793712 920383017 /nfs/dbraw/zinc/38/30/17/920383017.db2.gz RYIUECRENDFBBI-GMTAPVOTSA-N 1 0 271.361 -0.194 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCCO1 ZINC001497791916 920383636 /nfs/dbraw/zinc/38/36/36/920383636.db2.gz OJVHFRFIXNUOLI-CHWSQXEVSA-N 1 0 295.383 -0.211 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cccn1C ZINC001497789217 920384635 /nfs/dbraw/zinc/38/46/35/920384635.db2.gz LZBKXPOMIBGXBS-SNVBAGLBSA-N 1 0 277.328 -0.627 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1CCOCC1 ZINC001497799476 920387997 /nfs/dbraw/zinc/38/79/97/920387997.db2.gz BWPDGGFWASABFZ-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H](C)C#N ZINC001497797751 920390101 /nfs/dbraw/zinc/39/01/01/920390101.db2.gz JNDDAVJGRGLXPR-UTUOFQBUSA-N 1 0 296.371 -0.776 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001497934272 920425655 /nfs/dbraw/zinc/42/56/55/920425655.db2.gz QQLRXODOHDNGLG-SNVBAGLBSA-N 1 0 289.401 -0.568 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001497827111 920402817 /nfs/dbraw/zinc/40/28/17/920402817.db2.gz GFPRVNAQBBOCPP-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccnn1 ZINC001497947629 920424741 /nfs/dbraw/zinc/42/47/41/920424741.db2.gz BXDPYPAFQBIVLX-GHMZBOCLSA-N 1 0 289.339 -0.678 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(C)CCCOC1 ZINC001497951131 920428840 /nfs/dbraw/zinc/42/88/40/920428840.db2.gz VBPLYTVOLSSKCL-BXUZGUMPSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1nocc1C ZINC001497956302 920429105 /nfs/dbraw/zinc/42/91/05/920429105.db2.gz RQLXSLPSNZPRMC-GHMZBOCLSA-N 1 0 292.339 -0.171 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001497970775 920430393 /nfs/dbraw/zinc/43/03/93/920430393.db2.gz AHMLAQBYULRVHO-PWSUYJOCSA-N 1 0 289.401 -0.261 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497967238 920430932 /nfs/dbraw/zinc/43/09/32/920430932.db2.gz PNMZAGHLXGYNLV-MXWKQRLJSA-N 1 0 296.371 -0.950 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001497998472 920438277 /nfs/dbraw/zinc/43/82/77/920438277.db2.gz JJYNIKQXGDTGMP-SNVBAGLBSA-N 1 0 274.324 -0.088 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001498023835 920446027 /nfs/dbraw/zinc/44/60/27/920446027.db2.gz RFVAHJZLQDNJNB-JTQLQIEISA-N 1 0 281.356 -0.555 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cncs1 ZINC001498017433 920447833 /nfs/dbraw/zinc/44/78/33/920447833.db2.gz ZYRVICNALMOMIF-QMMMGPOBSA-N 1 0 281.341 -0.509 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C#CC(C)C ZINC001498040440 920460297 /nfs/dbraw/zinc/46/02/97/920460297.db2.gz YRIQTOZPUOTOAE-JTQLQIEISA-N 1 0 282.344 -0.804 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001498054600 920462058 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C=C[C@H](CO)[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000595864084 355312442 /nfs/dbraw/zinc/31/24/42/355312442.db2.gz PFCPJGDWRJFRPR-MNOVXSKESA-N 1 0 272.345 -0.173 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H](CC(C)C)C(=O)OC ZINC000595864083 355312750 /nfs/dbraw/zinc/31/27/50/355312750.db2.gz PFCPJGDWRJFRPR-GHMZBOCLSA-N 1 0 272.345 -0.173 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC(=O)OC(C)(C)C ZINC000595864247 355312825 /nfs/dbraw/zinc/31/28/25/355312825.db2.gz WPHKBUVZKIOLKP-SECBINFHSA-N 1 0 258.318 -0.419 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000595863396 355312845 /nfs/dbraw/zinc/31/28/45/355312845.db2.gz FNXFSZPECARIEP-NWDGAFQWSA-N 1 0 284.356 -0.075 20 30 CBEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595988369 355336284 /nfs/dbraw/zinc/33/62/84/355336284.db2.gz FMHNCQTYUSARIR-MFKMUULPSA-N 1 0 264.329 -0.431 20 30 CBEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595988368 355336346 /nfs/dbraw/zinc/33/63/46/355336346.db2.gz 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C[NH+](C)CCN1CCN(c2cc(C#N)cnn2)CC1=O ZINC000596291350 355353323 /nfs/dbraw/zinc/35/33/23/355353323.db2.gz VDGFLWAVNPJCEO-UHFFFAOYSA-N 1 0 274.328 -0.442 20 30 CBEDRO CN(C)C(=O)CN(CC[NH+](C)C)c1cc(C#N)cnn1 ZINC000596460777 355357858 /nfs/dbraw/zinc/35/78/58/355357858.db2.gz BCHAGCFZYTWKNV-UHFFFAOYSA-N 1 0 276.344 -0.196 20 30 CBEDRO C[NH+](C)[C@H]1CN(C(=O)NCC(C)(C)C#N)C[C@@H]1O ZINC000596550420 355358938 /nfs/dbraw/zinc/35/89/38/355358938.db2.gz OTGRTKUQUBLFRY-UWVGGRQHSA-N 1 0 254.334 -0.148 20 30 CBEDRO C[C@H](C#N)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000596552350 355359123 /nfs/dbraw/zinc/35/91/23/355359123.db2.gz WBHIRPFIULAVON-LLVKDONJSA-N 1 0 283.376 -0.193 20 30 CBEDRO Cc1onc(CC(=O)N[C@H](CO)C[NH+](C)C)c1C#N ZINC000597652708 355403471 /nfs/dbraw/zinc/40/34/71/355403471.db2.gz FLOPBZAXXDTTBI-VIFPVBQESA-N 1 0 266.301 -0.564 20 30 CBEDRO C=C[C@H](O)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000597770830 355417373 /nfs/dbraw/zinc/41/73/73/355417373.db2.gz ARGBGTMOPNIZMI-ZJUUUORDSA-N 1 0 256.302 -0.904 20 30 CBEDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CC(CC#N)C2)CC1=O ZINC000598030754 355430179 /nfs/dbraw/zinc/43/01/79/355430179.db2.gz INQYHGAFCLULAR-LBPRGKRZSA-N 1 0 278.356 -0.231 20 30 CBEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000598591431 355445333 /nfs/dbraw/zinc/44/53/33/355445333.db2.gz BGHYNXWRLSAYTF-GHMZBOCLSA-N 1 0 289.401 -0.089 20 30 CBEDRO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598593304 355446185 /nfs/dbraw/zinc/44/61/85/355446185.db2.gz QVKSUPKSSNCBJA-UONOGXRCSA-N 1 0 299.415 -0.088 20 30 CBEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000598620433 355447109 /nfs/dbraw/zinc/44/71/09/355447109.db2.gz WRVWFKBOGXPLSD-MFKMUULPSA-N 1 0 269.345 -0.401 20 30 CBEDRO N#Cc1ncn(CC(=O)NCC23CCC[NH+]2CCC3)n1 ZINC000597586835 355398420 /nfs/dbraw/zinc/39/84/20/355398420.db2.gz JDXPDVHHSZTPTC-UHFFFAOYSA-N 1 0 274.328 -0.106 20 30 CBEDRO CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727863 355452122 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CNC(=O)CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000186271970 220229803 /nfs/dbraw/zinc/22/98/03/220229803.db2.gz WJHUYOGGTSRDPI-UHFFFAOYSA-N 1 0 254.334 -0.184 20 30 CBEDRO C=CCNC(=O)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189567735 220230581 /nfs/dbraw/zinc/23/05/81/220230581.db2.gz ZSHZRTVVWPYPAF-NWDGAFQWSA-N 1 0 255.362 -0.325 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000189726824 220230742 /nfs/dbraw/zinc/23/07/42/220230742.db2.gz AXZVCJUFISHIPR-VHSXEESVSA-N 1 0 255.318 -0.299 20 30 CBEDRO C=CCNC(=O)CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000180785959 220224848 /nfs/dbraw/zinc/22/48/48/220224848.db2.gz BVTJAAMNUCBKCL-UHFFFAOYSA-N 1 0 298.387 -0.301 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000491484445 373703312 /nfs/dbraw/zinc/70/33/12/373703312.db2.gz IVIXTRLXCDYLBK-NEPJUHHUSA-N 1 0 270.373 -0.127 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000491484448 373703698 /nfs/dbraw/zinc/70/36/98/373703698.db2.gz IVIXTRLXCDYLBK-NWDGAFQWSA-N 1 0 270.373 -0.127 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NCCNC(=O)OC ZINC000491454018 373703757 /nfs/dbraw/zinc/70/37/57/373703757.db2.gz VDYAFDDJOMMVIR-UHFFFAOYSA-N 1 0 270.333 -0.403 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC(C(=O)NC)C2)CC1 ZINC000186188625 220228707 /nfs/dbraw/zinc/22/87/07/220228707.db2.gz GMJMCSVKUDUSOS-UHFFFAOYSA-N 1 0 263.341 -0.464 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000491505673 373705989 /nfs/dbraw/zinc/70/59/89/373705989.db2.gz MNQFMDGJTOXODD-CYBMUJFWSA-N 1 0 278.356 -0.605 20 30 CBEDRO C#C[C@H](CO)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000491623190 373706258 /nfs/dbraw/zinc/70/62/58/373706258.db2.gz HTCJIZBWNWUVKC-ZWNOBZJWSA-N 1 0 272.345 -0.154 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193105680 220233293 /nfs/dbraw/zinc/23/32/93/220233293.db2.gz XCOQZUQJITUORY-SECBINFHSA-N 1 0 257.334 -0.005 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000226420630 220236953 /nfs/dbraw/zinc/23/69/53/220236953.db2.gz 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COC(=O)c1cn(CCNC(=[NH2+])N2CCO[C@H](C)C2)nn1 ZINC000261745997 220244397 /nfs/dbraw/zinc/24/43/97/220244397.db2.gz IZKMXFPKXSJFIL-SECBINFHSA-N 1 0 296.331 -0.900 20 30 CBEDRO C=CCNC(=O)CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261703694 220244415 /nfs/dbraw/zinc/24/44/15/220244415.db2.gz CUSOYBNOFFDPJE-HNNXBMFYSA-N 1 0 280.416 -0.094 20 30 CBEDRO COC(=O)c1cn(CCNC(=[NH2+])N2CCO[C@@H](C)C2)nn1 ZINC000261746000 220244597 /nfs/dbraw/zinc/24/45/97/220244597.db2.gz IZKMXFPKXSJFIL-VIFPVBQESA-N 1 0 296.331 -0.900 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N(C)C[C@H]1CCOC1 ZINC000261652578 220244668 /nfs/dbraw/zinc/24/46/68/220244668.db2.gz MYWZVVZKXWBAIS-SNVBAGLBSA-N 1 0 277.390 -0.425 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587836 220244773 /nfs/dbraw/zinc/24/47/73/220244773.db2.gz JSXTWWPEROWBHO-MNOVXSKESA-N 1 0 266.345 -0.461 20 30 CBEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528748840 373980035 /nfs/dbraw/zinc/98/00/35/373980035.db2.gz RUHHNVVDDHWXLE-FPMFFAJLSA-N 1 0 270.373 -0.010 20 30 CBEDRO C[NH+]=C(NCC(=O)NCCOC)N1CC[C@@]2(CCOC2)C1 ZINC000261934923 220245798 /nfs/dbraw/zinc/24/57/98/220245798.db2.gz CEOABRWYALEELF-CQSZACIVSA-N 1 0 298.387 -0.563 20 30 CBEDRO C=CCN(C(=O)C[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261853936 220245925 /nfs/dbraw/zinc/24/59/25/220245925.db2.gz NJMBAFLXGOXGII-ZJUUUORDSA-N 1 0 260.359 -0.075 20 30 CBEDRO CCC(=O)N1CC[C@@H](NC(NCC(=O)NC2CC2)=[NH+]C)C1 ZINC000261958996 220246094 /nfs/dbraw/zinc/24/60/94/220246094.db2.gz JQIJZSNVNSMOCV-LLVKDONJSA-N 1 0 295.387 -0.559 20 30 CBEDRO C#CCNC(=[NH+]C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261821015 220246097 /nfs/dbraw/zinc/24/60/97/220246097.db2.gz UNRDJCHOVHLHPS-CQSZACIVSA-N 1 0 291.355 -0.495 20 30 CBEDRO C[C@H]1C[NH+]=C(NCc2ccccc2S(N)(=O)=O)N1 ZINC000262248307 220247575 /nfs/dbraw/zinc/24/75/75/220247575.db2.gz BXVZAICOXSVKGK-QMMMGPOBSA-N 1 0 268.342 -0.229 20 30 CBEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000262192082 220248023 /nfs/dbraw/zinc/24/80/23/220248023.db2.gz RDKVWEQNLZYVCD-VXGBXAGGSA-N 1 0 299.371 -0.008 20 30 CBEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262256931 220248135 /nfs/dbraw/zinc/24/81/35/220248135.db2.gz CXSZHCKVMDLXBH-NSHDSACASA-N 1 0 297.403 -0.361 20 30 CBEDRO COc1ccc(CNC(=[NH2+])NC2CC2)cc1S(N)(=O)=O ZINC000262253196 220248138 /nfs/dbraw/zinc/24/81/38/220248138.db2.gz DVUMUQIHBAYGFF-UHFFFAOYSA-N 1 0 298.368 -0.091 20 30 CBEDRO C=C(C)CNC(=[NH2+])NCCN1CCN(C(C)=O)CC1 ZINC000262023000 220248258 /nfs/dbraw/zinc/24/82/58/220248258.db2.gz YPVNTMKXQQOVBG-UHFFFAOYSA-N 1 0 267.377 -0.369 20 30 CBEDRO C=C(C)CNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000262024062 220248501 /nfs/dbraw/zinc/24/85/01/220248501.db2.gz YYTKICDUWQXQQX-UHFFFAOYSA-N 1 0 260.363 -0.498 20 30 CBEDRO [NH2+]=C(NCCNC(=O)c1ccco1)N1CCOCC1 ZINC000262181653 220248586 /nfs/dbraw/zinc/24/85/86/220248586.db2.gz BOYGTCPTUXSGGG-UHFFFAOYSA-N 1 0 266.301 -0.344 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1ccnc(C)n1 ZINC000262263664 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287.345 -0.606 20 30 CBEDRO C[NH+]=C(NCCc1nnnn1C)NCc1ccco1 ZINC000849016244 583468207 /nfs/dbraw/zinc/46/82/07/583468207.db2.gz WUBVQGUMOWGVTE-UHFFFAOYSA-N 1 0 263.305 -0.289 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849017462 583468579 /nfs/dbraw/zinc/46/85/79/583468579.db2.gz JERNUJICKTVFMF-JTQLQIEISA-N 1 0 275.374 -0.120 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1ncccc1O ZINC000849024624 583469300 /nfs/dbraw/zinc/46/93/00/583469300.db2.gz SZFHKLFUZHTOEH-UHFFFAOYSA-N 1 0 293.371 -0.216 20 30 CBEDRO C[NH+]=C(NCC[C@H](C)CCO)NCCN1CCOCC1 ZINC000849032626 583469915 /nfs/dbraw/zinc/46/99/15/583469915.db2.gz SLPNOWDRADFEDG-ZDUSSCGKSA-N 1 0 286.420 -0.108 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000849180974 583473252 /nfs/dbraw/zinc/47/32/52/583473252.db2.gz FBNBPYMDHVAKII-WOPDTQHZSA-N 1 0 289.335 -0.652 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(C)cnn1C ZINC000850459914 583500908 /nfs/dbraw/zinc/50/09/08/583500908.db2.gz 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/nfs/dbraw/zinc/56/57/69/583565769.db2.gz MSVQBVBFDZZNTC-FFSVYQOJSA-N 1 0 298.346 -0.328 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccnc2c1CC(=O)N2 ZINC000852875895 583566172 /nfs/dbraw/zinc/56/61/72/583566172.db2.gz SJPKWGUXYBURTB-XCBNKYQSSA-N 1 0 271.280 -0.582 20 30 CBEDRO COC(=O)[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852893983 583570905 /nfs/dbraw/zinc/57/09/05/583570905.db2.gz LKYJGZMIPMIVCO-LBPRGKRZSA-N 1 0 280.324 -0.610 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000852922521 583574991 /nfs/dbraw/zinc/57/49/91/583574991.db2.gz YPNMRUXCVQQHNR-UHIISALHSA-N 1 0 276.340 -0.431 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000852922912 583575197 /nfs/dbraw/zinc/57/51/97/583575197.db2.gz YZTNARFCZQSIMV-FZMZJTMJSA-N 1 0 278.356 -0.054 20 30 CBEDRO C#CCN1CCN(C(=O)Cn2ccc(C#N)cc2=O)CC1 ZINC000853757207 583589559 /nfs/dbraw/zinc/58/95/59/583589559.db2.gz IURPRTVNIAZBTH-UHFFFAOYSA-N 1 0 284.319 -0.503 20 30 CBEDRO C#CCOCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853983325 583592816 /nfs/dbraw/zinc/59/28/16/583592816.db2.gz DXUMBDADPTXSCB-CQSZACIVSA-N 1 0 295.383 -0.123 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000854094670 583595292 /nfs/dbraw/zinc/59/52/92/583595292.db2.gz ZXUBBMBRXNOLDC-NSHDSACASA-N 1 0 266.345 -0.481 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000855167845 583635008 /nfs/dbraw/zinc/63/50/08/583635008.db2.gz QULBBYDERHDCMG-UHFFFAOYSA-N 1 0 277.390 -0.498 20 30 CBEDRO CON=CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855697691 583647728 /nfs/dbraw/zinc/64/77/28/583647728.db2.gz DGJIULGVOHCHNH-UHFFFAOYSA-N 1 0 258.322 -0.903 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000856860231 583661102 /nfs/dbraw/zinc/66/11/02/583661102.db2.gz WSNQEHBSLBKWCJ-CYBMUJFWSA-N 1 0 280.372 -0.139 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000857576624 583681192 /nfs/dbraw/zinc/68/11/92/583681192.db2.gz LGNLLXGNZWSPHP-UHFFFAOYSA-N 1 0 292.383 -0.041 20 30 CBEDRO C#CC[C@H](CCOC)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000858210875 583688136 /nfs/dbraw/zinc/68/81/36/583688136.db2.gz ZLSIXAKMXWCIDO-KGLIPLIRSA-N 1 0 296.415 -0.040 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C(=O)N(C)OC ZINC000858493044 583696223 /nfs/dbraw/zinc/69/62/23/583696223.db2.gz HKVXHKJQKUKNHY-LLVKDONJSA-N 1 0 284.360 -0.351 20 30 CBEDRO C#CCn1ccc(CN(CC)c2nc(N)[nH+]c(N)n2)n1 ZINC000858520666 583696809 /nfs/dbraw/zinc/69/68/09/583696809.db2.gz VDEXXUOHZKKRCO-UHFFFAOYSA-N 1 0 272.316 -0.108 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+](CCCCC(=O)OC)CC1 ZINC000859118841 583709185 /nfs/dbraw/zinc/70/91/85/583709185.db2.gz IZQXYSRQQVIMLK-UHFFFAOYSA-N 1 0 295.383 -0.303 20 30 CBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cnc(C)n1C ZINC000859173162 583710141 /nfs/dbraw/zinc/71/01/41/583710141.db2.gz UYALUQHTTHNIIP-UHFFFAOYSA-N 1 0 284.385 -0.038 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000859875486 583731548 /nfs/dbraw/zinc/73/15/48/583731548.db2.gz 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583967965 /nfs/dbraw/zinc/96/79/65/583967965.db2.gz KPOXVQQKWRCVHF-UHFFFAOYSA-N 1 0 262.269 -0.687 20 30 CBEDRO C=CCN(C)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868416791 583978471 /nfs/dbraw/zinc/97/84/71/583978471.db2.gz AJZBCXCZAZVBRF-QWRGUYRKSA-N 1 0 251.330 -0.016 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000868582199 583982181 /nfs/dbraw/zinc/98/21/81/583982181.db2.gz VJHOZXDCRNZWBS-QWHCGFSZSA-N 1 0 295.383 -0.129 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NCCCn1cncn1 ZINC000868652582 583983434 /nfs/dbraw/zinc/98/34/34/583983434.db2.gz HLYJIJAFXAKGEU-UHFFFAOYSA-N 1 0 278.360 -0.078 20 30 CBEDRO C=CCNC(=O)CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870912592 584021177 /nfs/dbraw/zinc/02/11/77/584021177.db2.gz JTQFSZQNSPHXBL-UHFFFAOYSA-N 1 0 251.330 -0.063 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)[C@H](C)O)CC1 ZINC000871129122 584027021 /nfs/dbraw/zinc/02/70/21/584027021.db2.gz OKXGQGRIHHAPIH-JQWIXIFHSA-N 1 0 254.330 -0.811 20 30 CBEDRO CC1(C)CC[NH2+]CCN1C(=O)Cn1cnc(C#N)n1 ZINC000872299246 584054860 /nfs/dbraw/zinc/05/48/60/584054860.db2.gz BSVZQAWLKYOYQK-UHFFFAOYSA-N 1 0 262.317 -0.250 20 30 CBEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C[C@@H]3CCCO3)nn2)N1 ZINC000872364532 584056109 /nfs/dbraw/zinc/05/61/09/584056109.db2.gz NDOWNHDCOQBBJL-ONGXEEELSA-N 1 0 277.332 -0.272 20 30 CBEDRO N#Cc1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nn1 ZINC000872757473 584062852 /nfs/dbraw/zinc/06/28/52/584062852.db2.gz FAPROFDACDIBMU-NWDGAFQWSA-N 1 0 259.313 -0.006 20 30 CBEDRO CON=C(C(=O)NCC[NH+](C)C)c1csc(N)n1 ZINC000873735456 584073719 /nfs/dbraw/zinc/07/37/19/584073719.db2.gz JCWRZERSIRESFJ-UHFFFAOYSA-N 1 0 271.346 -0.246 20 30 CBEDRO C#CCN(C(=O)[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000874147819 584078142 /nfs/dbraw/zinc/07/81/42/584078142.db2.gz NNSRVJDYOVHNQA-MNOVXSKESA-N 1 0 272.370 -0.415 20 30 CBEDRO N#CCN1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000874441622 584084292 /nfs/dbraw/zinc/08/42/92/584084292.db2.gz ZLYJFXQRZGUCGI-KGLIPLIRSA-N 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CNC(=O)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876602711 584134945 /nfs/dbraw/zinc/13/49/45/584134945.db2.gz UJJFHUZHPYXBSS-AWEZNQCLSA-N 1 0 286.335 -0.003 20 30 CBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000876634719 584136106 /nfs/dbraw/zinc/13/61/06/584136106.db2.gz ZPFKWJCXGYLOBX-YUMQZZPRSA-N 1 0 261.709 -0.831 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ncc2cccnc21 ZINC000876801358 584145910 /nfs/dbraw/zinc/14/59/10/584145910.db2.gz BNOUSMFOCQIGNA-QWRGUYRKSA-N 1 0 270.296 -0.341 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccnc2ccnn21 ZINC000876801456 584146007 /nfs/dbraw/zinc/14/60/07/584146007.db2.gz CQMWPZKHQFCXAF-RKDXNWHRSA-N 1 0 256.269 -0.429 20 30 CBEDRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802216 584146353 /nfs/dbraw/zinc/14/63/53/584146353.db2.gz NAQREHHYOWDRIU-SRVKXCTJSA-N 1 0 266.345 -0.235 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)c[nH]c1=O ZINC000876801843 584146429 /nfs/dbraw/zinc/14/64/29/584146429.db2.gz 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CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)[NH+](C)C ZINC001058654735 802559568 /nfs/dbraw/zinc/55/95/68/802559568.db2.gz GKOMRDWQTYIDIX-VXGBXAGGSA-N 1 0 298.387 -0.577 20 30 CBEDRO C#CCCCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058707982 802561729 /nfs/dbraw/zinc/56/17/29/802561729.db2.gz WXRPSGGNBNEGCI-UHFFFAOYSA-N 1 0 297.399 -0.321 20 30 CBEDRO [NH3+]C1(CC(=O)NCCNC(=O)C2N=CC=CC2=O)CCC1 ZINC001118133929 812475163 /nfs/dbraw/zinc/47/51/63/812475163.db2.gz DXALNXYMCQTQAG-OUKQBFOZSA-N 1 0 292.339 -0.100 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC001117977857 812460902 /nfs/dbraw/zinc/46/09/02/812460902.db2.gz CJGYVLIJCQBBRA-VIFPVBQESA-N 1 0 257.359 -0.820 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001117978594 812461701 /nfs/dbraw/zinc/46/17/01/812461701.db2.gz MICAMQZEFWREQJ-SNVBAGLBSA-N 1 0 269.370 -0.663 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001119857271 812896353 /nfs/dbraw/zinc/89/63/53/812896353.db2.gz PWKDFXPMDLSBPL-GHMZBOCLSA-N 1 0 279.340 -0.991 20 30 CBEDRO C#CCOc1ncccc1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001148302272 814936736 /nfs/dbraw/zinc/93/67/36/814936736.db2.gz IZKJYJNSJNTSNI-JTQLQIEISA-N 1 0 290.323 -0.713 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](COC)C(=O)OC ZINC001121957828 813096002 /nfs/dbraw/zinc/09/60/02/813096002.db2.gz HDEWYRCKTWQRBL-VHSXEESVSA-N 1 0 258.318 -0.026 20 30 CBEDRO C=CCNC(=O)CNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001121953055 813096837 /nfs/dbraw/zinc/09/68/37/813096837.db2.gz QLFVHEMPIGMBHE-SNVBAGLBSA-N 1 0 269.345 -0.451 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C(F)F ZINC001122372525 813154578 /nfs/dbraw/zinc/15/45/78/813154578.db2.gz IHDBMBSODIGLNV-UHFFFAOYSA-N 1 0 276.287 -0.281 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CCOCC1 ZINC001122503610 813172088 /nfs/dbraw/zinc/17/20/88/813172088.db2.gz UCCDFHXRXZFJEY-NSHDSACASA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CSC ZINC001123177616 813220650 /nfs/dbraw/zinc/22/06/50/813220650.db2.gz 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/nfs/dbraw/zinc/18/29/50/812182950.db2.gz PLMAYNMDUQRJEV-IAZYJMLFSA-N 1 0 287.385 -0.890 20 30 CBEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC001115245316 812186775 /nfs/dbraw/zinc/18/67/75/812186775.db2.gz PETOAMHICDVWCU-IGQOVBAYSA-N 1 0 292.383 -0.475 20 30 CBEDRO COc1nc(-n2cncc2C[C@@H]([NH3+])CO)ncc1C#N ZINC001158203873 815512914 /nfs/dbraw/zinc/51/29/14/815512914.db2.gz ITITXEMKQDFHFJ-SECBINFHSA-N 1 0 274.284 -0.595 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115293703 812189159 /nfs/dbraw/zinc/18/91/59/812189159.db2.gz BAIYBRUPSUERPE-IMRBUKKESA-N 1 0 275.352 -0.418 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115294187 812189369 /nfs/dbraw/zinc/18/93/69/812189369.db2.gz LAFKAOXZYKBERU-URLYPYJESA-N 1 0 278.356 -0.626 20 30 CBEDRO Cc1nc(C#N)cnc1-n1cncc1C[C@@H]([NH3+])CO ZINC001158206632 815513604 /nfs/dbraw/zinc/51/36/04/815513604.db2.gz WPABBNZZADYCPU-SECBINFHSA-N 1 0 258.285 -0.296 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CNC(=O)C2CC2)CC1 ZINC001116004760 812212494 /nfs/dbraw/zinc/21/24/94/812212494.db2.gz SHLCKBHNMQOZMM-UHFFFAOYSA-N 1 0 264.329 -0.383 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCCc2nnc[nH]2)CC1 ZINC001116193409 812231205 /nfs/dbraw/zinc/23/12/05/812231205.db2.gz XTJYKOKBGUQOQY-UHFFFAOYSA-N 1 0 261.329 -0.191 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)C1(C(=O)NC)CC1 ZINC001168286444 820153916 /nfs/dbraw/zinc/15/39/16/820153916.db2.gz LMJDCQNJNYKVQL-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C[N@H+](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)C1CC1 ZINC001116337809 812247584 /nfs/dbraw/zinc/24/75/84/812247584.db2.gz RYXHKTLIVUTKOY-UHFFFAOYSA-N 1 0 290.327 -0.444 20 30 CBEDRO C#CCOCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116396933 812253586 /nfs/dbraw/zinc/25/35/86/812253586.db2.gz UZSBBKCABLPTEM-LBPRGKRZSA-N 1 0 282.300 -0.266 20 30 CBEDRO COC(=O)[C@@H]1C[C@@H](Nc2cncc(CC#N)n2)CN1 ZINC001158254600 815515913 /nfs/dbraw/zinc/51/59/13/815515913.db2.gz FPLDVWUYKXQXCE-ZJUUUORDSA-N 1 0 261.285 -0.142 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)C1(C(=O)NC)CCC1 ZINC001171748354 820368578 /nfs/dbraw/zinc/36/85/78/820368578.db2.gz DVENZVACIKBFEU-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=C[C@@H](COC)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001116618619 812285457 /nfs/dbraw/zinc/28/54/57/812285457.db2.gz AQGQWUAPFJIOJN-CMPLNLGQSA-N 1 0 257.334 -0.447 20 30 CBEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CC#N)CC1 ZINC001116665644 812292734 /nfs/dbraw/zinc/29/27/34/812292734.db2.gz MRPNJRROUIAJFV-UHFFFAOYSA-N 1 0 266.345 -0.041 20 30 CBEDRO N#CCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116665650 812293321 /nfs/dbraw/zinc/29/33/21/812293321.db2.gz MSBLKMKYDLVZIX-LBPRGKRZSA-N 1 0 266.345 -0.577 20 30 CBEDRO CN1CCC2(CC[NH+](CC(=O)NCCC#N)CC2)C1=O ZINC001116821214 812319704 /nfs/dbraw/zinc/31/97/04/812319704.db2.gz JHDSXLAKUVKLHX-UHFFFAOYSA-N 1 0 278.356 -0.039 20 30 CBEDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001117114284 812367386 /nfs/dbraw/zinc/36/73/86/812367386.db2.gz LWTWJHXDAOWWGV-RYUDHWBXSA-N 1 0 296.371 -0.416 20 30 CBEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCC(=O)NCC#N)CC[N@@H+]1C ZINC001117477548 812408740 /nfs/dbraw/zinc/40/87/40/812408740.db2.gz IYEAEWHMOXCENU-MNOVXSKESA-N 1 0 281.360 -0.250 20 30 CBEDRO CC#CCCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC001117472707 812408837 /nfs/dbraw/zinc/40/88/37/812408837.db2.gz SKONKGPRRKZLGO-UHFFFAOYSA-N 1 0 269.345 -0.790 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])C1 ZINC001118085461 812467887 /nfs/dbraw/zinc/46/78/87/812467887.db2.gz FIFNKNHFDCWJNC-VHSXEESVSA-N 1 0 252.318 -0.350 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)OCC)C1 ZINC001158415901 815527256 /nfs/dbraw/zinc/52/72/56/815527256.db2.gz ORHZYDFJQPTBQP-BYCMXARLSA-N 1 0 294.351 -0.092 20 30 CBEDRO C#CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC001118036031 812464274 /nfs/dbraw/zinc/46/42/74/812464274.db2.gz XNVFSKZKHVKKEW-LLVKDONJSA-N 1 0 289.335 -0.222 20 30 CBEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001118059493 812466713 /nfs/dbraw/zinc/46/67/13/812466713.db2.gz OIZDZDFEOVLMEL-MFKMUULPSA-N 1 0 282.319 -0.339 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001118149212 812479750 /nfs/dbraw/zinc/47/97/50/812479750.db2.gz AAGHSKYZOBUKJJ-WDEREUQCSA-N 1 0 254.334 -0.987 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cn(C)cn1 ZINC001118155455 812481276 /nfs/dbraw/zinc/48/12/76/812481276.db2.gz JPKZVZUWIPREJZ-ZDUSSCGKSA-N 1 0 265.361 -0.241 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC001118194120 812490070 /nfs/dbraw/zinc/49/00/70/812490070.db2.gz KVVRSGDIYWAKJL-LBPRGKRZSA-N 1 0 281.356 -0.518 20 30 CBEDRO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H](O)CO)c1 ZINC001118236194 812502995 /nfs/dbraw/zinc/50/29/95/812502995.db2.gz DUNNMAJDJYNVNP-GFCCVEGCSA-N 1 0 263.297 -0.170 20 30 CBEDRO C=CCN1C(=O)C(=O)N(Cc2nc(CC[NH3+])no2)C1=O ZINC001118243350 812505484 /nfs/dbraw/zinc/50/54/84/812505484.db2.gz QZFLBADWBXBZLT-UHFFFAOYSA-N 1 0 279.256 -0.952 20 30 CBEDRO C[C@H](CC(N)=O)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC001118264579 812511275 /nfs/dbraw/zinc/51/12/75/812511275.db2.gz JIKKPVCQWMEEFZ-MRVPVSSYSA-N 1 0 258.285 -0.046 20 30 CBEDRO [NH3+][C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118284129 812519131 /nfs/dbraw/zinc/51/91/31/812519131.db2.gz JGBKOCRUJAEWMI-YAWLZAOSSA-N 1 0 292.339 -0.147 20 30 CBEDRO N#Cc1cnn(CCn2cc(COCC[NH3+])nn2)c1 ZINC001118411766 812544817 /nfs/dbraw/zinc/54/48/17/812544817.db2.gz AVIASQRCTHCPAL-UHFFFAOYSA-N 1 0 261.289 -0.478 20 30 CBEDRO C[NH2+]CCCNC(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001118486708 812556106 /nfs/dbraw/zinc/55/61/06/812556106.db2.gz OGBRXJOXIWHUTI-UHFFFAOYSA-N 1 0 288.351 -0.057 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC001118491158 812558348 /nfs/dbraw/zinc/55/83/48/812558348.db2.gz SRRLLAVBSLTGMV-GFCCVEGCSA-N 1 0 282.319 -0.162 20 30 CBEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001118545249 812571790 /nfs/dbraw/zinc/57/17/90/812571790.db2.gz MLNUTKIOPTXAIC-STQMWFEESA-N 1 0 280.372 -0.059 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001118551599 812573144 /nfs/dbraw/zinc/57/31/44/812573144.db2.gz OMDOLSNEQJRLNZ-SNVBAGLBSA-N 1 0 257.334 -0.581 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001118569203 812577403 /nfs/dbraw/zinc/57/74/03/812577403.db2.gz RAPPFZIKUNTMOW-NSHDSACASA-N 1 0 270.354 -0.707 20 30 CBEDRO CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001118568582 812578089 /nfs/dbraw/zinc/57/80/89/812578089.db2.gz DPCLXRUULLONGX-GFCCVEGCSA-N 1 0 284.381 -0.365 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnc2n1CCOC2 ZINC001118569869 812579445 /nfs/dbraw/zinc/57/94/45/812579445.db2.gz PZUBVJRUHWFJEI-RKDXNWHRSA-N 1 0 261.285 -0.745 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC001118574204 812581850 /nfs/dbraw/zinc/58/18/50/812581850.db2.gz OPRBKFUTIZOMDZ-GWCFXTLKSA-N 1 0 264.329 -0.444 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CNC(=O)c1ccncc1 ZINC001158594794 815539418 /nfs/dbraw/zinc/53/94/18/815539418.db2.gz FAGYCRJQVWCFDP-UHFFFAOYSA-N 1 0 288.351 -0.069 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001118673826 812597715 /nfs/dbraw/zinc/59/77/15/812597715.db2.gz BOAIWFZETJOELF-STQMWFEESA-N 1 0 293.367 -0.553 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001118702790 812605197 /nfs/dbraw/zinc/60/51/97/812605197.db2.gz JPGSDFYQNDMPJE-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO COCC#CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001118740465 812614077 /nfs/dbraw/zinc/61/40/77/812614077.db2.gz JUDFBTNEVCJYQB-ZDUSSCGKSA-N 1 0 268.357 -0.011 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158639173 815542238 /nfs/dbraw/zinc/54/22/38/815542238.db2.gz USFYLMYYXVMFNX-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001118827717 812635895 /nfs/dbraw/zinc/63/58/95/812635895.db2.gz QKYYGNZJTHSYON-WDEREUQCSA-N 1 0 267.333 -0.471 20 30 CBEDRO N#CCCOCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC001118846413 812640155 /nfs/dbraw/zinc/64/01/55/812640155.db2.gz JGFDNBMMSWDGPY-UHFFFAOYSA-N 1 0 276.362 -0.826 20 30 CBEDRO CN(CCOCC[NH3+])C(=O)NC1CCN(CC#N)CC1 ZINC001118861843 812644631 /nfs/dbraw/zinc/64/46/31/812644631.db2.gz DFOLOXMGMMTMQH-UHFFFAOYSA-N 1 0 283.376 -0.409 20 30 CBEDRO N#CCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001118872299 812649344 /nfs/dbraw/zinc/64/93/44/812649344.db2.gz VJCPNGGTBMWKAN-LLVKDONJSA-N 1 0 264.329 -0.383 20 30 CBEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC001118930417 812666884 /nfs/dbraw/zinc/66/68/84/812666884.db2.gz UQVVBIMCFFMZLT-WDEREUQCSA-N 1 0 292.339 -0.862 20 30 CBEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCO1 ZINC001118930416 812667628 /nfs/dbraw/zinc/66/76/28/812667628.db2.gz UQVVBIMCFFMZLT-QWRGUYRKSA-N 1 0 292.339 -0.862 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 ZINC001118963686 812678509 /nfs/dbraw/zinc/67/85/09/812678509.db2.gz UVDPWRDLLJRSIE-ZWNOBZJWSA-N 1 0 266.345 -0.056 20 30 CBEDRO N#Cc1ncc(N2C[C@@H]([NH3+])C3(COC3)C2)nc1C#N ZINC001158766233 815546610 /nfs/dbraw/zinc/54/66/10/815546610.db2.gz VVGCHIASQTYEPU-SNVBAGLBSA-N 1 0 256.269 -0.616 20 30 CBEDRO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001158769305 815547541 /nfs/dbraw/zinc/54/75/41/815547541.db2.gz OIMXJROZUNRYFA-GFCCVEGCSA-N 1 0 284.323 -0.054 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001158788831 815547576 /nfs/dbraw/zinc/54/75/76/815547576.db2.gz ADWFPAJKEYCJNL-YGRLFVJLSA-N 1 0 291.355 -0.279 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001119156633 812720596 /nfs/dbraw/zinc/72/05/96/812720596.db2.gz QVEMJIUTBBUFQV-UPJWGTAASA-N 1 0 295.383 -0.144 20 30 CBEDRO C=CCOCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119239608 812728970 /nfs/dbraw/zinc/72/89/70/812728970.db2.gz MMZYYIJNRFQJGA-SFHVURJKSA-N 1 0 274.386 -0.194 20 30 CBEDRO C[C@@H]1[C@H](NC(=O)C#CC2CC[NH2+]CC2)CCS1(=O)=O ZINC001119242695 812730119 /nfs/dbraw/zinc/73/01/19/812730119.db2.gz GBCDTIDPPVWRSV-ZYHUDNBSSA-N 1 0 284.381 -0.319 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158915761 815551894 /nfs/dbraw/zinc/55/18/94/815551894.db2.gz HJIGOBZAXPKDBT-NSHDSACASA-N 1 0 294.359 -0.935 20 30 CBEDRO C=C(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)OCC ZINC001119367642 812769281 /nfs/dbraw/zinc/76/92/81/812769281.db2.gz ZBDGXEUHFOVHPG-MNOVXSKESA-N 1 0 270.329 -0.011 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1CCN1CC ZINC001119473154 812790089 /nfs/dbraw/zinc/79/00/89/812790089.db2.gz MNDHSKGFHUUQTP-LLVKDONJSA-N 1 0 283.397 -0.321 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001119545650 812804592 /nfs/dbraw/zinc/80/45/92/812804592.db2.gz QKCJXMVVHRHMED-WDEREUQCSA-N 1 0 279.340 -0.957 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)Cn1ccnn1 ZINC001119581340 812816263 /nfs/dbraw/zinc/81/62/63/812816263.db2.gz DGTJOAOGWYUXFI-LLVKDONJSA-N 1 0 267.333 -0.737 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001119611309 812833744 /nfs/dbraw/zinc/83/37/44/812833744.db2.gz POOKJIRZEZMDFY-RKDXNWHRSA-N 1 0 291.273 -0.184 20 30 CBEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001119611557 812833810 /nfs/dbraw/zinc/83/38/10/812833810.db2.gz VMZFNSJPXCBQAY-JTQLQIEISA-N 1 0 266.345 -0.056 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159184139 815560781 /nfs/dbraw/zinc/56/07/81/815560781.db2.gz IOILFIDHBXUCNU-UHFFFAOYSA-N 1 0 277.390 -0.402 20 30 CBEDRO C=C(C)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159032350 815556443 /nfs/dbraw/zinc/55/64/43/815556443.db2.gz BAJIXZAMQDUEGJ-UHFFFAOYSA-N 1 0 296.371 -0.010 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159200996 815561749 /nfs/dbraw/zinc/56/17/49/815561749.db2.gz MCLAVMFBUYCGCR-UHFFFAOYSA-N 1 0 275.374 -0.955 20 30 CBEDRO COCC#CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001119992594 812921629 /nfs/dbraw/zinc/92/16/29/812921629.db2.gz OOMNZXHJDGEYMR-QWHCGFSZSA-N 1 0 266.341 -0.306 20 30 CBEDRO C#CC[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159210434 815563505 /nfs/dbraw/zinc/56/35/05/815563505.db2.gz NTEBWTMERRSVCR-UHFFFAOYSA-N 1 0 274.328 -0.555 20 30 CBEDRO C=CC[N@H+]1CC=C(CCNC(=O)Cn2cnnn2)CC1 ZINC001159209951 815563596 /nfs/dbraw/zinc/56/35/96/815563596.db2.gz FTSFWSXIMGSDCT-UHFFFAOYSA-N 1 0 276.344 -0.003 20 30 CBEDRO C#CCCn1nnnc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC001120142472 812935426 /nfs/dbraw/zinc/93/54/26/812935426.db2.gz NQILONDMEAFOMP-UHFFFAOYSA-N 1 0 278.360 -0.411 20 30 CBEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001120273384 812945382 /nfs/dbraw/zinc/94/53/82/812945382.db2.gz PSCZFRVMRYJWAO-RYUDHWBXSA-N 1 0 257.330 -0.747 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001159240881 815564383 /nfs/dbraw/zinc/56/43/83/815564383.db2.gz JJYMHLYKSHBLQM-LBPRGKRZSA-N 1 0 283.372 -0.237 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001159241647 815564569 /nfs/dbraw/zinc/56/45/69/815564569.db2.gz PWMMDGHAYDTPOY-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001120376419 812955389 /nfs/dbraw/zinc/95/53/89/812955389.db2.gz LCJFILMSTGCVBF-LLVKDONJSA-N 1 0 296.371 -0.559 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001120376220 812955669 /nfs/dbraw/zinc/95/56/69/812955669.db2.gz JALYTJIZVLGXGM-UHFFFAOYSA-N 1 0 281.356 -0.566 20 30 CBEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C#N)CC1 ZINC001120375390 812955678 /nfs/dbraw/zinc/95/56/78/812955678.db2.gz CLXWKHDJBOIPPF-LBPRGKRZSA-N 1 0 294.355 -0.805 20 30 CBEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC001120419825 812962162 /nfs/dbraw/zinc/96/21/62/812962162.db2.gz DABUNRBJYIBACT-TZMCWYRMSA-N 1 0 285.347 -0.122 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001120420865 812963880 /nfs/dbraw/zinc/96/38/80/812963880.db2.gz QBGIMIHRKZEHEC-LLVKDONJSA-N 1 0 283.372 -0.109 20 30 CBEDRO C[C@@]1(C#N)CCCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001120446151 812968002 /nfs/dbraw/zinc/96/80/02/812968002.db2.gz GVFFNGAGDOZCPL-LBPRGKRZSA-N 1 0 264.329 -0.254 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001120455668 812970202 /nfs/dbraw/zinc/97/02/02/812970202.db2.gz QMWNLNXRVSYLEJ-COMAGPEQSA-N 1 0 280.303 -0.540 20 30 CBEDRO COC[C@](C)(O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC001120489655 812973890 /nfs/dbraw/zinc/97/38/90/812973890.db2.gz UZQJLYLQRIVVFZ-NWDGAFQWSA-N 1 0 259.350 -0.820 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC001120489627 812973911 /nfs/dbraw/zinc/97/39/11/812973911.db2.gz UMVRUZJAVZYREL-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CCCN1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC001120496535 812976709 /nfs/dbraw/zinc/97/67/09/812976709.db2.gz DODIYTHHOVJKFQ-UHFFFAOYSA-N 1 0 266.345 -0.351 20 30 CBEDRO COC[C@@H]1C[NH2+]CCN1C(=O)NC1CCN(CC#N)CC1 ZINC001120503957 812978109 /nfs/dbraw/zinc/97/81/09/812978109.db2.gz CTHWJBDVHJZSDD-ZDUSSCGKSA-N 1 0 295.387 -0.396 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1Cc2cncn2C1 ZINC001120517195 812979565 /nfs/dbraw/zinc/97/95/65/812979565.db2.gz XTTWZQZWQHXBSS-AAEUAGOBSA-N 1 0 263.345 -0.396 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CCNC(=O)COC ZINC001159270534 815567251 /nfs/dbraw/zinc/56/72/51/815567251.db2.gz WISPXNGRWFOUHE-UHFFFAOYSA-N 1 0 271.361 -0.189 20 30 CBEDRO C=CCCCN(CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001120528903 812983254 /nfs/dbraw/zinc/98/32/54/812983254.db2.gz WOAAKBKOWFHVGE-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001120526548 812983422 /nfs/dbraw/zinc/98/34/22/812983422.db2.gz YDSAALDKCCCDRG-QWRGUYRKSA-N 1 0 272.370 -0.319 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CNOC2)CC1 ZINC001120596494 812997249 /nfs/dbraw/zinc/99/72/49/812997249.db2.gz GUFWPFRUTQPWFS-NSHDSACASA-N 1 0 254.334 -0.161 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001159303299 815568975 /nfs/dbraw/zinc/56/89/75/815568975.db2.gz XGFJAUNJGHCYSZ-SNVBAGLBSA-N 1 0 267.329 -0.194 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159328011 815569448 /nfs/dbraw/zinc/56/94/48/815569448.db2.gz COXUQMVZSCIVBY-SNVBAGLBSA-N 1 0 290.327 -0.247 20 30 CBEDRO O=C(N[C@@H]1CCN(O)C1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001159331443 815570039 /nfs/dbraw/zinc/57/00/39/815570039.db2.gz HXRJDYREBRYRNK-LLVKDONJSA-N 1 0 287.279 -0.013 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121103280 813044616 /nfs/dbraw/zinc/04/46/16/813044616.db2.gz UHZDXPFAZNNVGH-ZWESNROVSA-N 1 0 293.367 -0.473 20 30 CBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001121654846 813073438 /nfs/dbraw/zinc/07/34/38/813073438.db2.gz ZLIUSYBFASGYQG-WAQQSHLVSA-N 1 0 290.367 -0.292 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC001121896738 813086456 /nfs/dbraw/zinc/08/64/56/813086456.db2.gz PROJDZWBXQPOTB-GHMZBOCLSA-N 1 0 287.385 -0.957 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCCOC[C@H]1CCOC1 ZINC001121967866 813098577 /nfs/dbraw/zinc/09/85/77/813098577.db2.gz YWQBJOVHCZDVGP-GFCCVEGCSA-N 1 0 254.330 -0.231 20 30 CBEDRO N#C[C@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)C(N)=O ZINC001159473276 815576707 /nfs/dbraw/zinc/57/67/07/815576707.db2.gz CDYWLIXQMIVYNZ-JTQLQIEISA-N 1 0 290.327 -0.356 20 30 CBEDRO CCOC(=O)[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC001122025507 813106291 /nfs/dbraw/zinc/10/62/91/813106291.db2.gz XFDUTMRGGPXKNI-ZDUSSCGKSA-N 1 0 294.351 -0.220 20 30 CBEDRO C=CCCn1cc(C(=O)N(C)C[C@@H](O)C[NH2+]C)nn1 ZINC001122100337 813117201 /nfs/dbraw/zinc/11/72/01/813117201.db2.gz PEISWWGOXWWGFL-JTQLQIEISA-N 1 0 267.333 -0.494 20 30 CBEDRO N#CC1(CC(=O)N2CC[NH2+]C[C@H]2CO)CCOCC1 ZINC001122124150 813120652 /nfs/dbraw/zinc/12/06/52/813120652.db2.gz HJXHTUXGMOQBJN-NSHDSACASA-N 1 0 267.329 -0.510 20 30 CBEDRO N#Cc1cc(C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)co1 ZINC001122189499 813130081 /nfs/dbraw/zinc/13/00/81/813130081.db2.gz HNYCCFNEYJRWCV-LBPRGKRZSA-N 1 0 260.253 -0.240 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001122226276 813136135 /nfs/dbraw/zinc/13/61/35/813136135.db2.gz HMQKPRPXJCEHPR-UHFFFAOYSA-N 1 0 265.313 -0.300 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC001122277733 813139302 /nfs/dbraw/zinc/13/93/02/813139302.db2.gz PUQUPNFAXLAADG-LBPRGKRZSA-N 1 0 252.318 -0.967 20 30 CBEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122283218 813139323 /nfs/dbraw/zinc/13/93/23/813139323.db2.gz XHEKJNLUMLIHDR-MFKMUULPSA-N 1 0 282.340 -0.275 20 30 CBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)COC ZINC001122337967 813149288 /nfs/dbraw/zinc/14/92/88/813149288.db2.gz UROWXSCHDCJODO-UHFFFAOYSA-N 1 0 269.345 -0.461 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCOC ZINC001122416786 813162677 /nfs/dbraw/zinc/16/26/77/813162677.db2.gz KYJVIZRYCYZDQT-JTQLQIEISA-N 1 0 257.334 -0.581 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1CC1 ZINC001122539358 813174218 /nfs/dbraw/zinc/17/42/18/813174218.db2.gz QPEAOKDZIBSQKS-UHFFFAOYSA-N 1 0 282.344 -0.496 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccccn1 ZINC001122590472 813178928 /nfs/dbraw/zinc/17/89/28/813178928.db2.gz OJAFWHDFMOLYOY-NSHDSACASA-N 1 0 274.324 -0.461 20 30 CBEDRO CC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001122667602 813183169 /nfs/dbraw/zinc/18/31/69/813183169.db2.gz IMAGQEUBFTZNTL-UHFFFAOYSA-N 1 0 274.324 -0.100 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccco1 ZINC001122700299 813186471 /nfs/dbraw/zinc/18/64/71/813186471.db2.gz XYFBYCOYCVTOGH-SNVBAGLBSA-N 1 0 263.297 -0.263 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC(C)C ZINC001122787024 813188646 /nfs/dbraw/zinc/18/86/46/813188646.db2.gz NVVDDFPCQRPUMF-UHFFFAOYSA-N 1 0 284.360 -0.250 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])c1ncc(C#N)c(OC)n1 ZINC001159860887 815601689 /nfs/dbraw/zinc/60/16/89/815601689.db2.gz IZRLXIOBSOAWRE-UHFFFAOYSA-N 1 0 279.300 -0.315 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCSC ZINC001123192259 813223038 /nfs/dbraw/zinc/22/30/38/813223038.db2.gz UQRVDVWJQXEREW-UHFFFAOYSA-N 1 0 259.375 -0.253 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCSC ZINC001123190483 813223214 /nfs/dbraw/zinc/22/32/14/813223214.db2.gz KJMLUSLATZSPSV-UHFFFAOYSA-N 1 0 257.359 -0.805 20 30 CBEDRO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)CNC(N)=O)c1 ZINC001123235992 813225156 /nfs/dbraw/zinc/22/51/56/813225156.db2.gz SRLQCGHULXAZCJ-UHFFFAOYSA-N 1 0 293.302 -0.429 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001159882860 815602653 /nfs/dbraw/zinc/60/26/53/815602653.db2.gz JHPFVBFGHFAFNR-AWEZNQCLSA-N 1 0 291.399 -0.068 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001159877218 815602993 /nfs/dbraw/zinc/60/29/93/815602993.db2.gz NQTXBEIHBYPJBB-CYBMUJFWSA-N 1 0 277.372 -0.458 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)no1 ZINC001123423912 813238348 /nfs/dbraw/zinc/23/83/48/813238348.db2.gz OYEZEMYLBZKCRM-UHFFFAOYSA-N 1 0 264.285 -0.948 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)oc1C ZINC001123396862 813238906 /nfs/dbraw/zinc/23/89/06/813238906.db2.gz NFGQLXSNTBRPFD-UHFFFAOYSA-N 1 0 277.324 -0.035 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)no1 ZINC001123440811 813239502 /nfs/dbraw/zinc/23/95/02/813239502.db2.gz SNRJQUQKKAIDAJ-JTQLQIEISA-N 1 0 278.312 -0.560 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)no1 ZINC001123434306 813240178 /nfs/dbraw/zinc/24/01/78/813240178.db2.gz IRNAVVUWXFRGTM-UHFFFAOYSA-N 1 0 251.286 -0.048 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)no1 ZINC001123441113 813240568 /nfs/dbraw/zinc/24/05/68/813240568.db2.gz VCQUKTVAVFZUIL-JTQLQIEISA-N 1 0 280.328 -0.007 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1C ZINC001123611940 813253080 /nfs/dbraw/zinc/25/30/80/813253080.db2.gz PRRAMOMSUKCQRI-SNVBAGLBSA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccn1C ZINC001123648844 813258012 /nfs/dbraw/zinc/25/80/12/813258012.db2.gz YCILGSJNGLQHRY-UHFFFAOYSA-N 1 0 262.313 -0.906 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC ZINC001123666323 813259244 /nfs/dbraw/zinc/25/92/44/813259244.db2.gz IYXVATPBXZTXGB-UHFFFAOYSA-N 1 0 284.360 -0.106 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cncn1 ZINC001123666791 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C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H](C)OC)C1=O ZINC001124595234 813459038 /nfs/dbraw/zinc/45/90/38/813459038.db2.gz WZUGPASBEQQZDA-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124636333 813460250 /nfs/dbraw/zinc/46/02/50/813460250.db2.gz MZYRHYBZKZHGOG-SECBINFHSA-N 1 0 253.302 -0.536 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cc1cnn(C)c1 ZINC001124620543 813460401 /nfs/dbraw/zinc/46/04/01/813460401.db2.gz COPLHYAONZTSDO-UHFFFAOYSA-N 1 0 266.345 -0.129 20 30 CBEDRO C=CCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001124632033 813460519 /nfs/dbraw/zinc/46/05/19/813460519.db2.gz URIOTYQHOXFMOI-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124641061 813461852 /nfs/dbraw/zinc/46/18/52/813461852.db2.gz ZSPTXBNTLQNTLX-UHFFFAOYSA-N 1 0 263.363 -0.792 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124667812 813464991 /nfs/dbraw/zinc/46/49/91/813464991.db2.gz AKDVAEZYTNIKPU-QWRGUYRKSA-N 1 0 270.329 -0.296 20 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270.333 -0.655 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132592847 814165673 /nfs/dbraw/zinc/16/56/73/814165673.db2.gz FMPRVQODIIBZFT-UHFFFAOYSA-N 1 0 289.401 -0.565 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001132591224 814166143 /nfs/dbraw/zinc/16/61/43/814166143.db2.gz JMRAYIXNPFSTKT-LLVKDONJSA-N 1 0 279.340 -0.309 20 30 CBEDRO CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132577886 814166267 /nfs/dbraw/zinc/16/62/67/814166267.db2.gz FSLHRKZYQYQUKM-JQWIXIFHSA-N 1 0 266.345 -0.280 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132633965 814174184 /nfs/dbraw/zinc/17/41/84/814174184.db2.gz QPLHMGDMMBZQAL-VXGBXAGGSA-N 1 0 280.372 -0.248 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CCC)OCC ZINC001132628632 814174706 /nfs/dbraw/zinc/17/47/06/814174706.db2.gz XULSTYGYSFKNLI-LBPRGKRZSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132633963 814174893 /nfs/dbraw/zinc/17/48/93/814174893.db2.gz 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N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CNC(=O)N2)cc1 ZINC001133111403 814215746 /nfs/dbraw/zinc/21/57/46/814215746.db2.gz APDLBMHTXSEGCG-LBPRGKRZSA-N 1 0 287.323 -0.555 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2ccccc21 ZINC001133125829 814218943 /nfs/dbraw/zinc/21/89/43/814218943.db2.gz XHPUHEJGXRPNAW-CQSZACIVSA-N 1 0 285.347 -0.219 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133154330 814220947 /nfs/dbraw/zinc/22/09/47/814220947.db2.gz FVJLCFVCBQPBNA-UHFFFAOYSA-N 1 0 283.372 -0.093 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133145401 814221331 /nfs/dbraw/zinc/22/13/31/814221331.db2.gz XQPXPEFBLBZSTM-UHFFFAOYSA-N 1 0 296.371 -0.010 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C ZINC001133204118 814229474 /nfs/dbraw/zinc/22/94/74/814229474.db2.gz FQVIMCCYSGJZKH-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO NC(=O)C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133206173 814230546 /nfs/dbraw/zinc/23/05/46/814230546.db2.gz JVROGOKQSJYDHB-UHFFFAOYSA-N 1 0 263.272 -0.632 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255527 814234237 /nfs/dbraw/zinc/23/42/37/814234237.db2.gz QXAJJCUBCHNWKH-ZDUSSCGKSA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C ZINC001133297028 814239971 /nfs/dbraw/zinc/23/99/71/814239971.db2.gz HYWYMWYQSRFZHN-STQMWFEESA-N 1 0 275.356 -0.015 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1C[C@H]1C ZINC001133342995 814243573 /nfs/dbraw/zinc/24/35/73/814243573.db2.gz MXNVRYBZAJRBQW-GHMZBOCLSA-N 1 0 251.330 -0.512 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(C)=O ZINC001133427954 814251848 /nfs/dbraw/zinc/25/18/48/814251848.db2.gz SNRMXXKKSIWCGJ-NXEZZACHSA-N 1 0 284.360 -0.109 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133515142 814268981 /nfs/dbraw/zinc/26/89/81/814268981.db2.gz NSSFOFSGWXNUNI-MNOVXSKESA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133614510 814276675 /nfs/dbraw/zinc/27/66/75/814276675.db2.gz HAUBUBKBVSWLIJ-VHSXEESVSA-N 1 0 250.306 -0.821 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncc(C#C)c1 ZINC001133596939 814276846 /nfs/dbraw/zinc/27/68/46/814276846.db2.gz FMIVIMSYXNYGAG-GFCCVEGCSA-N 1 0 298.346 -0.480 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619861 814276868 /nfs/dbraw/zinc/27/68/68/814276868.db2.gz NIKYANYNUSKICW-ZJUUUORDSA-N 1 0 254.334 -0.449 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133614711 814277274 /nfs/dbraw/zinc/27/72/74/814277274.db2.gz JJGWCZCZOOKSQP-ZJUUUORDSA-N 1 0 252.322 -0.268 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619864 814278000 /nfs/dbraw/zinc/27/80/00/814278000.db2.gz NKERDQOQBPJHFU-QWRGUYRKSA-N 1 0 284.360 -0.823 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133632066 814279790 /nfs/dbraw/zinc/27/97/90/814279790.db2.gz MWXXLPYBRYATNZ-UHFFFAOYSA-N 1 0 257.309 -0.256 20 30 CBEDRO CSCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133641687 814281265 /nfs/dbraw/zinc/28/12/65/814281265.db2.gz XBJRNYHTOGNEPG-NXEZZACHSA-N 1 0 286.401 -0.138 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133639188 814281442 /nfs/dbraw/zinc/28/14/42/814281442.db2.gz HQIBQYGXTMPQRV-SNVBAGLBSA-N 1 0 269.320 -0.420 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133639187 814281489 /nfs/dbraw/zinc/28/14/89/814281489.db2.gz HQIBQYGXTMPQRV-JTQLQIEISA-N 1 0 269.320 -0.420 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133746497 814291204 /nfs/dbraw/zinc/29/12/04/814291204.db2.gz YRSLJZBQCYDLRK-OLZOCXBDSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001133741017 814291345 /nfs/dbraw/zinc/29/13/45/814291345.db2.gz KVFXMJJYFUSHSL-GHMZBOCLSA-N 1 0 253.346 -0.029 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766928 814295227 /nfs/dbraw/zinc/29/52/27/814295227.db2.gz 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C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001134294264 814372165 /nfs/dbraw/zinc/37/21/65/814372165.db2.gz QBONMVHOINTGOP-VHSXEESVSA-N 1 0 292.343 -0.464 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001134317743 814372953 /nfs/dbraw/zinc/37/29/53/814372953.db2.gz NMZSQALLGRVZED-UWVGGRQHSA-N 1 0 294.355 -0.532 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134317588 814373311 /nfs/dbraw/zinc/37/33/11/814373311.db2.gz LBBBKWGQLSYOFN-QWRGUYRKSA-N 1 0 296.371 -0.286 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C#CC1CC1 ZINC001134327063 814374649 /nfs/dbraw/zinc/37/46/49/814374649.db2.gz YOWKYLIQVJFEOQ-VXGBXAGGSA-N 1 0 290.367 -0.088 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134352782 814375387 /nfs/dbraw/zinc/37/53/87/814375387.db2.gz NUSDOFQTKRCXEI-MRVPVSSYSA-N 1 0 283.781 -0.618 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380270 814377729 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C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786650 814412908 /nfs/dbraw/zinc/41/29/08/814412908.db2.gz DWVMVHGBCUSROY-GHMZBOCLSA-N 1 0 279.344 -0.912 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786997 814413018 /nfs/dbraw/zinc/41/30/18/814413018.db2.gz HQYMFKHYGSRHKV-NWDGAFQWSA-N 1 0 293.371 -0.522 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cscn1 ZINC001134856249 814417819 /nfs/dbraw/zinc/41/78/19/814417819.db2.gz BRFHJUZWPYSGJO-UHFFFAOYSA-N 1 0 282.369 -0.306 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001134843447 814418375 /nfs/dbraw/zinc/41/83/75/814418375.db2.gz JJVDJCUYICMVDI-VHSXEESVSA-N 1 0 292.343 -0.959 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134874294 814419239 /nfs/dbraw/zinc/41/92/39/814419239.db2.gz FUNGWBFUBLLXSM-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)nn1 ZINC001134973054 814427860 /nfs/dbraw/zinc/42/78/60/814427860.db2.gz BAHDNXPOGXSJFY-JTQLQIEISA-N 1 0 292.343 -0.986 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@@H]2CCOC2)nn1 ZINC001134973486 814427874 /nfs/dbraw/zinc/42/78/74/814427874.db2.gz UGCHOKPXEUSZCB-NSHDSACASA-N 1 0 279.344 -0.180 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC#CCOC)nn1 ZINC001134970349 814428183 /nfs/dbraw/zinc/42/81/83/814428183.db2.gz UFVHHBXCRWGEMA-UHFFFAOYSA-N 1 0 277.328 -0.567 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H]2CCOC2)nn1 ZINC001134973485 814428033 /nfs/dbraw/zinc/42/80/33/814428033.db2.gz UGCHOKPXEUSZCB-LLVKDONJSA-N 1 0 279.344 -0.180 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NCCC)nn1 ZINC001134970665 814428111 /nfs/dbraw/zinc/42/81/11/814428111.db2.gz XYALBKFBIGXODA-UHFFFAOYSA-N 1 0 294.359 -0.690 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963451 814428155 /nfs/dbraw/zinc/42/81/55/814428155.db2.gz KQBGBRBVFRJQPN-UHFFFAOYSA-N 1 0 291.417 -0.014 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081858 814437482 /nfs/dbraw/zinc/43/74/82/814437482.db2.gz UBLGGHBGBMHAPD-NXEZZACHSA-N 1 0 292.405 -0.901 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001135142096 814440770 /nfs/dbraw/zinc/44/07/70/814440770.db2.gz GHRCCOBGRBVVFX-VWYCJHECSA-N 1 0 269.345 -0.453 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001135145827 814441945 /nfs/dbraw/zinc/44/19/45/814441945.db2.gz VNRQIESWLJOCSQ-JSGCOSHPSA-N 1 0 295.383 -0.024 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135184236 814443583 /nfs/dbraw/zinc/44/35/83/814443583.db2.gz DRRLVCXFODKQIS-CHWSQXEVSA-N 1 0 294.399 -0.686 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135215108 814446869 /nfs/dbraw/zinc/44/68/69/814446869.db2.gz VXAHKNDTDMDZSD-VHSXEESVSA-N 1 0 264.333 -0.280 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135213910 814446898 /nfs/dbraw/zinc/44/68/98/814446898.db2.gz DBAADZIBTCLWTC-GHMZBOCLSA-N 1 0 296.375 -0.101 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135242091 814450717 /nfs/dbraw/zinc/45/07/17/814450717.db2.gz WUJYXKMLYCKTHJ-UHFFFAOYSA-N 1 0 273.296 -0.222 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270329 814455543 /nfs/dbraw/zinc/45/55/43/814455543.db2.gz XMISKKMANCUUHY-UHFFFAOYSA-N 1 0 267.329 -0.289 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncc(Cl)c1 ZINC001135288242 814458839 /nfs/dbraw/zinc/45/88/39/814458839.db2.gz JMCWNWOKWXZPIK-UHFFFAOYSA-N 1 0 294.742 -0.196 20 30 CBEDRO C=CCn1cccc1C(=O)NCCC[NH2+]CC(N)=O ZINC001159974440 815605680 /nfs/dbraw/zinc/60/56/80/815605680.db2.gz DASBZVLOSBWWIS-UHFFFAOYSA-N 1 0 264.329 -0.131 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(N)=O ZINC001135345013 814467574 /nfs/dbraw/zinc/46/75/74/814467574.db2.gz QADOHZVTEZAALU-UWVGGRQHSA-N 1 0 257.334 -0.453 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135348244 814468488 /nfs/dbraw/zinc/46/84/88/814468488.db2.gz FNNGWXLASPFITN-UWVGGRQHSA-N 1 0 251.330 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293.371 -0.130 20 30 CBEDRO C=CCN1CCN(C(=O)[C@@H]([NH3+])COC(C)=O)CC1 ZINC001160431879 815620606 /nfs/dbraw/zinc/62/06/06/815620606.db2.gz HSUVJKXIJFECII-NSHDSACASA-N 1 0 255.318 -0.793 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000314 814544395 /nfs/dbraw/zinc/54/43/95/814544395.db2.gz CNANMBGKAOFNRH-GFCCVEGCSA-N 1 0 291.355 -0.343 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCCOC1 ZINC001136008244 814546346 /nfs/dbraw/zinc/54/63/46/814546346.db2.gz NVZVQIMMKAJJAG-ZDUSSCGKSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1coc(COC)n1 ZINC001136030987 814548749 /nfs/dbraw/zinc/54/87/49/814548749.db2.gz WEYJIELJUAJUKO-UHFFFAOYSA-N 1 0 296.327 -0.557 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136054495 814550295 /nfs/dbraw/zinc/55/02/95/814550295.db2.gz JWQRFOCMHSBXOI-GHMZBOCLSA-N 1 0 289.401 -0.616 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136056830 814550481 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C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127047 814554949 /nfs/dbraw/zinc/55/49/49/814554949.db2.gz KFYQWXIQQKWTCY-WDEREUQCSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127763 814556491 /nfs/dbraw/zinc/55/64/91/814556491.db2.gz VPGJBLPLZLONBC-WDEREUQCSA-N 1 0 294.355 -0.614 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001136672339 814567655 /nfs/dbraw/zinc/56/76/55/814567655.db2.gz KELUADQRIBLDCQ-NSHDSACASA-N 1 0 268.361 -0.830 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001136689962 814568966 /nfs/dbraw/zinc/56/89/66/814568966.db2.gz XJLXQQVYLRMCAD-OLZOCXBDSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CCC[NH+]1CCC(NC(=O)C2(O)COC2)CC1 ZINC001136962251 814576295 /nfs/dbraw/zinc/57/62/95/814576295.db2.gz FXMZLPYBAKMRNP-UHFFFAOYSA-N 1 0 252.314 -0.648 20 30 CBEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001139869737 814627335 /nfs/dbraw/zinc/62/73/35/814627335.db2.gz 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ZINC001146364490 814837544 /nfs/dbraw/zinc/83/75/44/814837544.db2.gz WBYLGYJYINMGGP-UHFFFAOYSA-N 1 0 290.323 -0.841 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH]nc1C1CC1 ZINC001146430831 814838576 /nfs/dbraw/zinc/83/85/76/814838576.db2.gz ZXZOEYZGNIMPDH-UHFFFAOYSA-N 1 0 291.355 -0.091 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001146452019 814839406 /nfs/dbraw/zinc/83/94/06/814839406.db2.gz RRTIGNRWNYJZQL-VHSXEESVSA-N 1 0 275.374 -0.958 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnc(OC)nc1 ZINC001146542745 814840893 /nfs/dbraw/zinc/84/08/93/814840893.db2.gz XAMCAJDTYUISKV-UHFFFAOYSA-N 1 0 293.327 -0.893 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146636386 814842828 /nfs/dbraw/zinc/84/28/28/814842828.db2.gz MZUSKGKFFSATAS-UWVGGRQHSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146660754 814842874 /nfs/dbraw/zinc/84/28/74/814842874.db2.gz HNGKPHGHNINCIB-UHFFFAOYSA-N 1 0 282.344 -0.401 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CCCC2 ZINC001146747112 814846521 /nfs/dbraw/zinc/84/65/21/814846521.db2.gz QVHDPNGILZMGFJ-LLVKDONJSA-N 1 0 278.356 -0.088 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1nocc1C ZINC001146834353 814848527 /nfs/dbraw/zinc/84/85/27/814848527.db2.gz URZKJZQBOIKNGG-UHFFFAOYSA-N 1 0 264.285 -0.948 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nocc1C ZINC001146849263 814851364 /nfs/dbraw/zinc/85/13/64/814851364.db2.gz NFOBGIMLVHCGOD-SNVBAGLBSA-N 1 0 280.328 -0.007 20 30 CBEDRO CC(C)c1ocnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146863597 814852986 /nfs/dbraw/zinc/85/29/86/814852986.db2.gz BAWVNNXLBHIFIV-UHFFFAOYSA-N 1 0 293.327 -0.243 20 30 CBEDRO C#CCNC(=O)CN1CCC2(CN(C(=O)C(C)(F)F)C2)C1 ZINC001146872352 814853392 /nfs/dbraw/zinc/85/33/92/814853392.db2.gz XTZGLYULYLOOGH-UHFFFAOYSA-N 1 0 299.321 -0.075 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896774 814854720 /nfs/dbraw/zinc/85/47/20/814854720.db2.gz XPRIUICSOPIMGR-UHFFFAOYSA-N 1 0 293.371 -0.337 20 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C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001317151674 816937299 /nfs/dbraw/zinc/93/72/99/816937299.db2.gz BDBZZIDYHMELGJ-QWHCGFSZSA-N 1 0 292.383 -0.139 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001317151946 816937506 /nfs/dbraw/zinc/93/75/06/816937506.db2.gz UYZGBGQVLHWIRD-NSHDSACASA-N 1 0 264.333 -0.313 20 30 CBEDRO N#CCSCC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001317181182 816939178 /nfs/dbraw/zinc/93/91/78/816939178.db2.gz IJTFFDDBZKAIOA-JTQLQIEISA-N 1 0 284.385 -0.301 20 30 CBEDRO CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C#N ZINC001317211098 816940158 /nfs/dbraw/zinc/94/01/58/816940158.db2.gz SGGGFNLJXTUIRM-XXFSISAASA-N 1 0 264.329 -0.673 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CN1C(=O)CNC1=O ZINC001317197136 816940984 /nfs/dbraw/zinc/94/09/84/816940984.db2.gz NWICGCSZQOEXKU-LLVKDONJSA-N 1 0 294.355 -0.305 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001317226198 816941564 /nfs/dbraw/zinc/94/15/64/816941564.db2.gz CPILCPCWDDNAQI-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001317228780 816942804 /nfs/dbraw/zinc/94/28/04/816942804.db2.gz KEDRBZDIPVYUIV-NSHDSACASA-N 1 0 293.371 -0.641 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1cnn(C)c1 ZINC001317228779 816943535 /nfs/dbraw/zinc/94/35/35/816943535.db2.gz KEDRBZDIPVYUIV-LLVKDONJSA-N 1 0 293.371 -0.641 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ccon1 ZINC001317228290 816943675 /nfs/dbraw/zinc/94/36/75/816943675.db2.gz XDPHTYNKKAHONN-SECBINFHSA-N 1 0 264.285 -0.868 20 30 CBEDRO C=CCOCC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001317228371 816944116 /nfs/dbraw/zinc/94/41/16/816944116.db2.gz GZYVQSMEZLHKNM-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCOCC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001317231249 816944512 /nfs/dbraw/zinc/94/45/12/816944512.db2.gz YIOMNDCIJIUBMV-QWRGUYRKSA-N 1 0 269.345 -0.438 20 30 CBEDRO CC[C@@H](OC)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317234679 816946326 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C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC ZINC001317239154 816948328 /nfs/dbraw/zinc/94/83/28/816948328.db2.gz AOCGJZLFGYHCOH-GHMZBOCLSA-N 1 0 269.345 -0.745 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001317246201 816949462 /nfs/dbraw/zinc/94/94/62/816949462.db2.gz TWHWBFRPJCUGHM-NSHDSACASA-N 1 0 271.361 -0.238 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(COC)CC1 ZINC001317251317 816951035 /nfs/dbraw/zinc/95/10/35/816951035.db2.gz LLYPXLNGXKUXGA-LLVKDONJSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cn[nH]n1 ZINC001317260781 816951767 /nfs/dbraw/zinc/95/17/67/816951767.db2.gz WSZMENNLHJPOQA-BDAKNGLRSA-N 1 0 280.332 -0.797 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001317262363 816953613 /nfs/dbraw/zinc/95/36/13/816953613.db2.gz CGXAWWBVXWDZAN-BXUZGUMPSA-N 1 0 281.356 -0.743 20 30 CBEDRO Cc1c(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)ccn1C ZINC001317267768 816954859 /nfs/dbraw/zinc/95/48/59/816954859.db2.gz VNOKARXZGKEJFK-SNVBAGLBSA-N 1 0 291.355 -0.319 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)C1 ZINC001317266777 816955029 /nfs/dbraw/zinc/95/50/29/816955029.db2.gz RLDBNDJMDJMKIW-SNVBAGLBSA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]CCCO)nn1 ZINC001317271246 816955120 /nfs/dbraw/zinc/95/51/20/816955120.db2.gz QFSGOYPMTQAZJR-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1conc1C ZINC001317267772 816955262 /nfs/dbraw/zinc/95/52/62/816955262.db2.gz YFALCLJPLWRIBY-VIFPVBQESA-N 1 0 280.328 -0.007 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001317278495 816955888 /nfs/dbraw/zinc/95/58/88/816955888.db2.gz UQZBFISEEHSFIU-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO Cc1conc1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317278630 816956573 /nfs/dbraw/zinc/95/65/73/816956573.db2.gz ZVOVGAXTCAROPE-VIFPVBQESA-N 1 0 279.300 -0.669 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001317283724 816957314 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C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001317306923 816963091 /nfs/dbraw/zinc/96/30/91/816963091.db2.gz IZDCTJNIUQZNHM-NSHDSACASA-N 1 0 289.339 -0.417 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001317307347 816963189 /nfs/dbraw/zinc/96/31/89/816963189.db2.gz UOKBKMMWKAMISC-NSHDSACASA-N 1 0 289.339 -0.417 20 30 CBEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001317303278 816963297 /nfs/dbraw/zinc/96/32/97/816963297.db2.gz MEFNVAVOZRENNB-UWVGGRQHSA-N 1 0 296.371 -0.028 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)C(C)C)C1 ZINC001317309654 816963383 /nfs/dbraw/zinc/96/33/83/816963383.db2.gz VXBMJCVEQJBUHT-NSHDSACASA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001317316835 816964476 /nfs/dbraw/zinc/96/44/76/816964476.db2.gz MWFYMEBJAADCFS-LLVKDONJSA-N 1 0 250.298 -0.054 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001317315545 816964512 /nfs/dbraw/zinc/96/45/12/816964512.db2.gz ALHMTAICOFHLEK-ZDUSSCGKSA-N 1 0 267.373 -0.057 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001317322419 816965566 /nfs/dbraw/zinc/96/55/66/816965566.db2.gz LROQZJRQKIOLTJ-GFCCVEGCSA-N 1 0 281.356 -0.531 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001317332009 816966649 /nfs/dbraw/zinc/96/66/49/816966649.db2.gz WCNPZZXCOXTYCB-JTQLQIEISA-N 1 0 262.317 -0.715 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001317329336 816966673 /nfs/dbraw/zinc/96/66/73/816966673.db2.gz FRROTGALCBPWLQ-RYUDHWBXSA-N 1 0 263.341 -0.416 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001317345351 816968214 /nfs/dbraw/zinc/96/82/14/816968214.db2.gz ZAJDKOJGNJORDT-STQMWFEESA-N 1 0 295.383 -0.094 20 30 CBEDRO C[C@H](CCNC(=O)[C@@H](C)C#N)[NH2+]CCNS(C)(=O)=O ZINC001317385994 816970172 /nfs/dbraw/zinc/97/01/72/816970172.db2.gz DHQOFLWIEDKHRB-VHSXEESVSA-N 1 0 290.389 -0.820 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cc(C)on1 ZINC001317385139 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C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001319048760 817160223 /nfs/dbraw/zinc/16/02/23/817160223.db2.gz GDZXUKSLABOZEM-GFCCVEGCSA-N 1 0 294.359 -0.544 20 30 CBEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001319069786 817163564 /nfs/dbraw/zinc/16/35/64/817163564.db2.gz LKJVSMBCFXUARJ-LLVKDONJSA-N 1 0 264.333 -0.170 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001319165378 817171790 /nfs/dbraw/zinc/17/17/90/817171790.db2.gz QSBPUOVKPMUCTB-RYUDHWBXSA-N 1 0 299.371 -0.954 20 30 CBEDRO C=CCCC(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001319166644 817172411 /nfs/dbraw/zinc/17/24/11/817172411.db2.gz FHKGYBWBPBLHGL-JTQLQIEISA-N 1 0 281.360 -0.084 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001319207532 817176958 /nfs/dbraw/zinc/17/69/58/817176958.db2.gz TVQUXSIXBKGHIR-NWDGAFQWSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001319225434 817178802 /nfs/dbraw/zinc/17/88/02/817178802.db2.gz PVHCKYYNIPSHIW-GHMZBOCLSA-N 1 0 266.345 -0.625 20 30 CBEDRO C[C@H](CNC(=O)[C@H]1CC12CC2)C[NH2+]CC(=O)NCC#N ZINC001319241552 817179496 /nfs/dbraw/zinc/17/94/96/817179496.db2.gz DTZDWEXDLDAYJJ-WDEREUQCSA-N 1 0 278.356 -0.232 20 30 CBEDRO C[C@@H](CNC(=O)[C@@H]1CC12CC2)C[NH2+]CC(=O)NCC#N ZINC001319241550 817179665 /nfs/dbraw/zinc/17/96/65/817179665.db2.gz DTZDWEXDLDAYJJ-MNOVXSKESA-N 1 0 278.356 -0.232 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC)nc1 ZINC001319270202 817183864 /nfs/dbraw/zinc/18/38/64/817183864.db2.gz NGSVBCKFSSHFST-NSHDSACASA-N 1 0 288.351 -0.236 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)CN1C(=O)CNC1=O ZINC001319276240 817184571 /nfs/dbraw/zinc/18/45/71/817184571.db2.gz KUFCKLJOVFWYRR-LLVKDONJSA-N 1 0 296.371 -0.154 20 30 CBEDRO C=CC[NH2+]C[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001319285806 817185919 /nfs/dbraw/zinc/18/59/19/817185919.db2.gz RGJUXQJVLXHJPX-JTQLQIEISA-N 1 0 266.345 -0.135 20 30 CBEDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001319350092 817195233 /nfs/dbraw/zinc/19/52/33/817195233.db2.gz NLTMUGJPEABDLX-UHFFFAOYSA-N 1 0 292.343 -0.198 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)CCn2cnnn2)CCCC1 ZINC001319380158 817198586 /nfs/dbraw/zinc/19/85/86/817198586.db2.gz ZKSPCDXOGLPDTB-UHFFFAOYSA-N 1 0 276.344 -0.285 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)COC ZINC001319411502 817200975 /nfs/dbraw/zinc/20/09/75/817200975.db2.gz JDLFAWGNRHSDKN-GHMZBOCLSA-N 1 0 271.361 -0.240 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cccn1 ZINC001319421826 817202217 /nfs/dbraw/zinc/20/22/17/817202217.db2.gz CBIGXRGLZXGFKY-GFCCVEGCSA-N 1 0 293.371 -0.378 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)OCC ZINC001319430016 817203854 /nfs/dbraw/zinc/20/38/54/817203854.db2.gz RPMRLPLBFALBDA-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001319430699 817203869 /nfs/dbraw/zinc/20/38/69/817203869.db2.gz OQSNCHJESBJYJM-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)C#CC1CC1 ZINC001319452661 817206221 /nfs/dbraw/zinc/20/62/21/817206221.db2.gz CKCWJARKAPUNSS-LLVKDONJSA-N 1 0 265.357 -0.076 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)COC(C)(C)C ZINC001319449072 817206305 /nfs/dbraw/zinc/20/63/05/817206305.db2.gz UOTOAXRFXHWYGI-NSHDSACASA-N 1 0 298.387 -0.122 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001319455312 817206461 /nfs/dbraw/zinc/20/64/61/817206461.db2.gz QXIOMHULGKBMFE-KBPBESRZSA-N 1 0 298.383 -0.122 20 30 CBEDRO CNC(=O)NCC(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001319465161 817207911 /nfs/dbraw/zinc/20/79/11/817207911.db2.gz BWLYTDDSIYISCI-NSHDSACASA-N 1 0 284.360 -0.998 20 30 CBEDRO CCC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001319462067 817208308 /nfs/dbraw/zinc/20/83/08/817208308.db2.gz GERSAPUKXSRBMR-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cncn1C ZINC001319494146 817210280 /nfs/dbraw/zinc/21/02/80/817210280.db2.gz QBDLXIGCXVIOIM-LLVKDONJSA-N 1 0 291.355 -0.780 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1nc2ncccn2n1 ZINC001319550097 817218623 /nfs/dbraw/zinc/21/86/23/817218623.db2.gz WHDGFWBPFJPKHQ-JTQLQIEISA-N 1 0 272.312 -0.192 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001319560731 817220075 /nfs/dbraw/zinc/22/00/75/817220075.db2.gz OCPDDLVUJCRCBI-SNVBAGLBSA-N 1 0 282.344 -0.497 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O)nc1 ZINC001319562747 817220285 /nfs/dbraw/zinc/22/02/85/817220285.db2.gz MXGBJWGEQFEYTO-WDEREUQCSA-N 1 0 288.351 -0.013 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001319774782 817242046 /nfs/dbraw/zinc/24/20/46/817242046.db2.gz OJYFQRKPXMSBKI-RYUDHWBXSA-N 1 0 278.356 -0.338 20 30 CBEDRO Cn1cc(C[NH2+]CCCCC#N)c(=O)n(C)c1=O ZINC001319836364 817247288 /nfs/dbraw/zinc/24/72/88/817247288.db2.gz KULMWSWOFNHASG-UHFFFAOYSA-N 1 0 250.302 -0.133 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C(N)=O ZINC001319860408 817248748 /nfs/dbraw/zinc/24/87/48/817248748.db2.gz GHMCWOXZHXDMJX-RYUDHWBXSA-N 1 0 283.372 -0.109 20 30 CBEDRO C=CC[NH2+][C@@H](CNC(=O)CS(C)(=O)=O)C(C)C ZINC001319899365 817253365 /nfs/dbraw/zinc/25/33/65/817253365.db2.gz OSOVKQNBWBWRES-JTQLQIEISA-N 1 0 262.375 -0.053 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001320009278 817268282 /nfs/dbraw/zinc/26/82/82/817268282.db2.gz IGNWKKXXIOVBEB-GFCCVEGCSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001320035904 817270507 /nfs/dbraw/zinc/27/05/07/817270507.db2.gz ZFXPTXSFRIPDQM-CQSZACIVSA-N 1 0 265.357 -0.074 20 30 CBEDRO C=CCO[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)OC)C1 ZINC001320039417 817272417 /nfs/dbraw/zinc/27/24/17/817272417.db2.gz KIVTZUAXFUPDGL-LLVKDONJSA-N 1 0 270.329 -0.057 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001320058862 817272854 /nfs/dbraw/zinc/27/28/54/817272854.db2.gz MVUGTJZJQOQBKY-UHFFFAOYSA-N 1 0 289.401 -0.662 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2cnn(C)c2)CC1 ZINC001320142090 817282230 /nfs/dbraw/zinc/28/22/30/817282230.db2.gz HWPSVPZIEMHPDK-AWEZNQCLSA-N 1 0 290.367 -0.085 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(N)=O ZINC001320155275 817283025 /nfs/dbraw/zinc/28/30/25/817283025.db2.gz RJJKWMWLIUSEEZ-MNOVXSKESA-N 1 0 269.345 -0.451 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1C=CCC1 ZINC001320188854 817287651 /nfs/dbraw/zinc/28/76/51/817287651.db2.gz SRBJBLNXNMKEEU-STQMWFEESA-N 1 0 293.367 -0.841 20 30 CBEDRO CCc1cc(C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)[nH]n1 ZINC001320198886 817288761 /nfs/dbraw/zinc/28/87/61/817288761.db2.gz HFUXAVWIBFECGT-LBPRGKRZSA-N 1 0 294.355 -0.698 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NC[C@H](O)C[NH2+]CCCF)c1 ZINC001320203133 817290143 /nfs/dbraw/zinc/29/01/43/817290143.db2.gz SHJCYTBIVCHRJU-SNVBAGLBSA-N 1 0 268.292 -0.074 20 30 CBEDRO Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)CSCC#N ZINC001320201915 817290436 /nfs/dbraw/zinc/29/04/36/817290436.db2.gz RGBJSHIQQZUKQE-NSHDSACASA-N 1 0 298.368 -0.194 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201091 817290703 /nfs/dbraw/zinc/29/07/03/817290703.db2.gz ORKURHFLLLFRHH-MRVPVSSYSA-N 1 0 258.709 -0.158 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ncccc1O ZINC001320213487 817293258 /nfs/dbraw/zinc/29/32/58/817293258.db2.gz HACKKRYYUGAOHC-JTQLQIEISA-N 1 0 263.297 -0.509 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001320214848 817294343 /nfs/dbraw/zinc/29/43/43/817294343.db2.gz AYWNOHVHLMPSGX-DGCLKSJQSA-N 1 0 294.355 -0.975 20 30 CBEDRO CC(C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001320214414 817294355 /nfs/dbraw/zinc/29/43/55/817294355.db2.gz CKQDRXOJHXJAMB-LLVKDONJSA-N 1 0 250.302 -0.025 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001320214847 817294890 /nfs/dbraw/zinc/29/48/90/817294890.db2.gz AYWNOHVHLMPSGX-AAEUAGOBSA-N 1 0 294.355 -0.975 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CC1 ZINC001320217062 817295589 /nfs/dbraw/zinc/29/55/89/817295589.db2.gz MPMXEJPSXOZUNX-ZDUSSCGKSA-N 1 0 295.383 -0.761 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001320216391 817295957 /nfs/dbraw/zinc/29/59/57/817295957.db2.gz YDRHFPJPYHXXOZ-VIFPVBQESA-N 1 0 253.306 -0.929 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](OCC)C(C)C ZINC001320219435 817297678 /nfs/dbraw/zinc/29/76/78/817297678.db2.gz YBUBQUZIBKAXEN-RYUDHWBXSA-N 1 0 256.346 -0.253 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001320226656 817298700 /nfs/dbraw/zinc/29/87/00/817298700.db2.gz DNKMYNUIARFWMS-SNVBAGLBSA-N 1 0 275.312 -0.176 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1cncs1 ZINC001320233710 817300286 /nfs/dbraw/zinc/30/02/86/817300286.db2.gz IIJBTLAROHKLFW-JTQLQIEISA-N 1 0 267.354 -0.224 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2nccnc2c1 ZINC001320234632 817300517 /nfs/dbraw/zinc/30/05/17/817300517.db2.gz KWWLYVYGDUFQAR-NSHDSACASA-N 1 0 285.307 -0.662 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)COCc1ccnn1C ZINC001320236587 817301196 /nfs/dbraw/zinc/30/11/96/817301196.db2.gz ANVKPKAIZXEOFR-ZDUSSCGKSA-N 1 0 294.355 -0.973 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001320237945 817301221 /nfs/dbraw/zinc/30/12/21/817301221.db2.gz NQCWNGXHPKMCDT-JTQLQIEISA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)COc1cc(C)on1 ZINC001320235786 817301289 /nfs/dbraw/zinc/30/12/89/817301289.db2.gz RCSHYUKYKBEGDX-SNVBAGLBSA-N 1 0 269.301 -0.385 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001320237301 817301519 /nfs/dbraw/zinc/30/15/19/817301519.db2.gz HVANYBZUWUFYIC-SWLSCSKDSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1nc2ncc(C)cn2n1 ZINC001320236856 817301759 /nfs/dbraw/zinc/30/17/59/817301759.db2.gz CHFXBFFUHCQFTA-SNVBAGLBSA-N 1 0 290.327 -0.701 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(n1)OCCO2 ZINC001320240741 817302268 /nfs/dbraw/zinc/30/22/68/817302268.db2.gz CJWUQVGIAHYCGP-SNVBAGLBSA-N 1 0 291.307 -0.834 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001320250627 817304073 /nfs/dbraw/zinc/30/40/73/817304073.db2.gz RSPUSHNCTFIUHQ-FQIARQCESA-N 1 0 264.325 -0.890 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001320260555 817307358 /nfs/dbraw/zinc/30/73/58/817307358.db2.gz AGUSGWQCJVEXOW-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001320265050 817308000 /nfs/dbraw/zinc/30/80/00/817308000.db2.gz VDFZSQLNTAKJHT-OLZOCXBDSA-N 1 0 295.383 -0.524 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC1(C)C ZINC001320263547 817308972 /nfs/dbraw/zinc/30/89/72/817308972.db2.gz NPYFQAQYCUCELN-NEPJUHHUSA-N 1 0 297.399 -0.209 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001320270000 817310185 /nfs/dbraw/zinc/31/01/85/817310185.db2.gz GHFWWCXNZQAFTJ-NWDGAFQWSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001320272164 817310402 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820458094 /nfs/dbraw/zinc/45/80/94/820458094.db2.gz FVLRPQXONNIIIM-UHFFFAOYSA-N 1 0 277.390 -0.450 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001176861581 820472057 /nfs/dbraw/zinc/47/20/57/820472057.db2.gz UUGIVMNXQXWQIN-RYUDHWBXSA-N 1 0 293.367 -0.063 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001177011649 820488368 /nfs/dbraw/zinc/48/83/68/820488368.db2.gz ODFRQDMTOCNIDF-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001177090232 820492985 /nfs/dbraw/zinc/49/29/85/820492985.db2.gz GLNGESJECDMCLN-SNVBAGLBSA-N 1 0 260.359 -0.604 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n1C ZINC001177103587 820492993 /nfs/dbraw/zinc/49/29/93/820492993.db2.gz OABUBTNFACVVOF-UHFFFAOYSA-N 1 0 250.302 -0.934 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001177273524 820500568 /nfs/dbraw/zinc/50/05/68/820500568.db2.gz RJEOTOWRLPLLNF-NWDGAFQWSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001177264694 820500684 /nfs/dbraw/zinc/50/06/84/820500684.db2.gz VBFJSRKWILTDAR-GFCCVEGCSA-N 1 0 274.361 -0.318 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001177264695 820501078 /nfs/dbraw/zinc/50/10/78/820501078.db2.gz VBFJSRKWILTDAR-LBPRGKRZSA-N 1 0 274.361 -0.318 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001177269398 820501091 /nfs/dbraw/zinc/50/10/91/820501091.db2.gz LMPNPOPHTWIGOS-NSHDSACASA-N 1 0 282.344 -0.687 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001177269281 820501108 /nfs/dbraw/zinc/50/11/08/820501108.db2.gz JPDDFNUWHZEDCN-NSHDSACASA-N 1 0 297.355 -0.520 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CC(=O)NC ZINC001177260543 820501164 /nfs/dbraw/zinc/50/11/64/820501164.db2.gz QJLUYWFISVUMBQ-UHFFFAOYSA-N 1 0 257.334 -0.579 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NCC ZINC001177269507 820501299 /nfs/dbraw/zinc/50/12/99/820501299.db2.gz PCWIXMMGTHWGKZ-LLVKDONJSA-N 1 0 271.361 -0.191 20 30 CBEDRO 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267.329 -0.289 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177629157 820529236 /nfs/dbraw/zinc/52/92/36/820529236.db2.gz IPDQNSVHFCPVTI-UHFFFAOYSA-N 1 0 274.324 -0.087 20 30 CBEDRO CC#CC[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177882140 820546382 /nfs/dbraw/zinc/54/63/82/820546382.db2.gz PJHMAIANZNKKKX-UHFFFAOYSA-N 1 0 278.360 -0.037 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCOC)[C@H]1C ZINC001177986512 820550565 /nfs/dbraw/zinc/55/05/65/820550565.db2.gz GXEZUUVEABHFLM-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001177984032 820550643 /nfs/dbraw/zinc/55/06/43/820550643.db2.gz ZODUTFJZOWLNMF-UWVGGRQHSA-N 1 0 252.318 -0.385 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)[C@H]1C ZINC001178226420 820571043 /nfs/dbraw/zinc/57/10/43/820571043.db2.gz RLTWCADKPDLSGK-RVMXOQNASA-N 1 0 295.383 -0.262 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178233795 820571098 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CBEDRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001178351540 820577049 /nfs/dbraw/zinc/57/70/49/820577049.db2.gz PVTIUBYYBMNYMU-RHYQMDGZSA-N 1 0 269.345 -0.268 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178351895 820577219 /nfs/dbraw/zinc/57/72/19/820577219.db2.gz ZQTQLLKBUOEQJI-VWYCJHECSA-N 1 0 266.345 -0.187 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178366642 820578232 /nfs/dbraw/zinc/57/82/32/820578232.db2.gz KJBVEGCIBQNFCW-VWYCJHECSA-N 1 0 277.328 -0.635 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C ZINC001178485398 820583863 /nfs/dbraw/zinc/58/38/63/820583863.db2.gz GOPDHAOPIYQCFB-KBPBESRZSA-N 1 0 279.384 -0.079 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563190 820589969 /nfs/dbraw/zinc/58/99/69/820589969.db2.gz HUSKUURLHTYXEM-SRVKXCTJSA-N 1 0 298.387 -0.175 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178559877 820590223 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C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001179415964 820627680 /nfs/dbraw/zinc/62/76/80/820627680.db2.gz PDBZPYVYIGOORY-GFCCVEGCSA-N 1 0 280.372 -0.043 20 30 CBEDRO C=CCOCC[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179440577 820628813 /nfs/dbraw/zinc/62/88/13/820628813.db2.gz DRVPAOMYFYPXSR-UHFFFAOYSA-N 1 0 271.361 -0.060 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543531 820631917 /nfs/dbraw/zinc/63/19/17/820631917.db2.gz BMWAHASONZTMBD-RNJOBUHISA-N 1 0 293.367 -0.663 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179612092 820636334 /nfs/dbraw/zinc/63/63/34/820636334.db2.gz BKZRAIHPVUHXFO-DCAQKATOSA-N 1 0 287.385 -0.864 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617294 820636731 /nfs/dbraw/zinc/63/67/31/820636731.db2.gz DHBHPDPMUCQENW-DCAQKATOSA-N 1 0 292.339 -0.813 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(=O)NCC(F)(F)F)[C@H]1C ZINC001179812814 820640798 /nfs/dbraw/zinc/64/07/98/820640798.db2.gz 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CC#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001180084187 820650948 /nfs/dbraw/zinc/65/09/48/820650948.db2.gz QAKSSIRDXITRNB-QWRGUYRKSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180142860 820652057 /nfs/dbraw/zinc/65/20/57/820652057.db2.gz GUANSNISLPDZJR-SDDRHHMPSA-N 1 0 299.396 -0.720 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180152117 820652108 /nfs/dbraw/zinc/65/21/08/820652108.db2.gz JOJIOFYWOKXXPR-QWRGUYRKSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC001180235172 820656608 /nfs/dbraw/zinc/65/66/08/820656608.db2.gz OSRWEHVHNNOMRL-RYUDHWBXSA-N 1 0 290.367 -0.060 20 30 CBEDRO C=CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC001180443217 820679225 /nfs/dbraw/zinc/67/92/25/820679225.db2.gz TUJOWKCBQAWITD-UHFFFAOYSA-N 1 0 264.329 -0.075 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC)C1 ZINC001180546779 820684998 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C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001180828268 820728944 /nfs/dbraw/zinc/72/89/44/820728944.db2.gz KPSYWEQLMXCOMV-ZYHUDNBSSA-N 1 0 296.371 -0.996 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001180829348 820729833 /nfs/dbraw/zinc/72/98/33/820729833.db2.gz XRTFLYNTIJLMEQ-DGCLKSJQSA-N 1 0 281.356 -0.649 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180829349 820730040 /nfs/dbraw/zinc/73/00/40/820730040.db2.gz XRTFLYNTIJLMEQ-WCQYABFASA-N 1 0 281.356 -0.649 20 30 CBEDRO Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)on1 ZINC001180939991 820741089 /nfs/dbraw/zinc/74/10/89/820741089.db2.gz NJYAIRPLINSAJJ-SNVBAGLBSA-N 1 0 291.311 -0.573 20 30 CBEDRO CC(=O)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180967815 820742583 /nfs/dbraw/zinc/74/25/83/820742583.db2.gz SBEDMWJCTXNRMR-GFCCVEGCSA-N 1 0 294.355 -0.424 20 30 CBEDRO CC(C)OCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181066360 820752178 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N#Cc1cc(CC(=O)NCC[NH2+]CCO)ccc1F ZINC001181195430 820764729 /nfs/dbraw/zinc/76/47/29/820764729.db2.gz HHYQSYIWDHEFGG-UHFFFAOYSA-N 1 0 265.288 -0.062 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCOC)C1 ZINC001181243188 820767638 /nfs/dbraw/zinc/76/76/38/820767638.db2.gz RSYFZFWKADMQRW-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001181279350 820772323 /nfs/dbraw/zinc/77/23/23/820772323.db2.gz HEMSESJBBPQJRE-SNVBAGLBSA-N 1 0 278.312 -0.219 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001181318143 820775455 /nfs/dbraw/zinc/77/54/55/820775455.db2.gz ZVUMAFRTJQOVLF-QJPTWQEYSA-N 1 0 281.356 -0.650 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COC(C)C)C1 ZINC001181421257 820787808 /nfs/dbraw/zinc/78/78/08/820787808.db2.gz WOKYQVWYTBRRSZ-QWHCGFSZSA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001181517347 820791572 /nfs/dbraw/zinc/79/15/72/820791572.db2.gz KCEBCASNPHRKSG-MNOVXSKESA-N 1 0 279.340 -0.052 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)OC)C1 ZINC001181534869 820795029 /nfs/dbraw/zinc/79/50/29/820795029.db2.gz GLXFQMKZVCQRHG-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001181653336 820807020 /nfs/dbraw/zinc/80/70/20/820807020.db2.gz YBHOSSAAYYOWAS-WDEREUQCSA-N 1 0 255.318 -0.655 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001181652980 820807682 /nfs/dbraw/zinc/80/76/82/820807682.db2.gz SJASVCBPCKXGGY-VHSXEESVSA-N 1 0 252.318 -0.575 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001181691084 820812003 /nfs/dbraw/zinc/81/20/03/820812003.db2.gz ZOJQAOOUDOWLBO-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001181761268 820823628 /nfs/dbraw/zinc/82/36/28/820823628.db2.gz YLSJSHVDEHRFMF-CHWSQXEVSA-N 1 0 293.367 -0.647 20 30 CBEDRO C/C=C(/C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181906532 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C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833707 821089879 /nfs/dbraw/zinc/08/98/79/821089879.db2.gz JYFGMKZNQUFMMP-GHMZBOCLSA-N 1 0 251.330 -0.111 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184877130 821091176 /nfs/dbraw/zinc/09/11/76/821091176.db2.gz RSVBKRKZRLPHQB-VXGBXAGGSA-N 1 0 283.372 -0.109 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001184889871 821091660 /nfs/dbraw/zinc/09/16/60/821091660.db2.gz CPNHOUNTEFVGDO-MNOVXSKESA-N 1 0 269.320 -0.326 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(C)C)C1 ZINC001184983024 821094570 /nfs/dbraw/zinc/09/45/70/821094570.db2.gz XQUADIXMFHTVIS-DGCLKSJQSA-N 1 0 283.347 -0.080 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185040122 821096792 /nfs/dbraw/zinc/09/67/92/821096792.db2.gz LWXWCZIJTBDMDT-RYUDHWBXSA-N 1 0 281.356 -0.804 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289755 821122976 /nfs/dbraw/zinc/12/29/76/821122976.db2.gz SUCFLFXJTWINJM-LLVKDONJSA-N 1 0 279.340 -0.908 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185416166 821128920 /nfs/dbraw/zinc/12/89/20/821128920.db2.gz PGNISHDKUWYFRV-SNVBAGLBSA-N 1 0 262.313 -0.047 20 30 CBEDRO CO[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C(C)C ZINC001185416463 821128964 /nfs/dbraw/zinc/12/89/64/821128964.db2.gz WEADIXCXZZRFGD-YPMHNXCESA-N 1 0 296.371 -0.512 20 30 CBEDRO CO[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C(C)C ZINC001185416462 821128987 /nfs/dbraw/zinc/12/89/87/821128987.db2.gz WEADIXCXZZRFGD-DGCLKSJQSA-N 1 0 296.371 -0.512 20 30 CBEDRO CC(F)(F)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185455281 821130459 /nfs/dbraw/zinc/13/04/59/821130459.db2.gz LSIMWQCXUMESSP-SECBINFHSA-N 1 0 288.298 -0.138 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1C ZINC001185628370 821137279 /nfs/dbraw/zinc/13/72/79/821137279.db2.gz HVXBZNKGMMKIAR-CHWSQXEVSA-N 1 0 275.356 -0.015 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1C 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C[NH+]1CCC(C(=O)NCCOCCCNCC#N)CC1 ZINC001283472032 828520370 /nfs/dbraw/zinc/52/03/70/828520370.db2.gz SFDFCQMGSVXLPZ-UHFFFAOYSA-N 1 0 282.388 -0.036 20 30 CBEDRO C#CCOCCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001283607882 828528242 /nfs/dbraw/zinc/52/82/42/828528242.db2.gz LCMVMZZIVCYCGC-NEPJUHHUSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)OC ZINC001283481785 828521532 /nfs/dbraw/zinc/52/15/32/828521532.db2.gz FBYAKJCKZGKRTE-AAEUAGOBSA-N 1 0 295.383 -0.403 20 30 CBEDRO CN(C(=O)CSCC#N)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001283484311 828521555 /nfs/dbraw/zinc/52/15/55/828521555.db2.gz SUCLRVBSBCIHKO-JTQLQIEISA-N 1 0 284.385 -0.445 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001283521470 828524516 /nfs/dbraw/zinc/52/45/16/828524516.db2.gz QZBZOZWFIZDESX-OLZOCXBDSA-N 1 0 277.368 -0.028 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)CNC(C)=O ZINC001283552060 828525156 /nfs/dbraw/zinc/52/51/56/828525156.db2.gz AQLLODFTACZEIM-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cc(C)on1 ZINC001283566184 828526329 /nfs/dbraw/zinc/52/63/29/828526329.db2.gz GJOOFJHXGOTGJQ-JTQLQIEISA-N 1 0 292.339 -0.217 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)/C(C)=C\CC ZINC001283735194 828539310 /nfs/dbraw/zinc/53/93/10/828539310.db2.gz RUVZFZSGHABZDG-DSDFTUOUSA-N 1 0 281.356 -0.841 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001283606929 828528330 /nfs/dbraw/zinc/52/83/30/828528330.db2.gz XEDIBTGKBFDTCN-GFCCVEGCSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001283607649 828528666 /nfs/dbraw/zinc/52/86/66/828528666.db2.gz HGSDSIBGDXWTFJ-VXGBXAGGSA-N 1 0 293.371 -0.210 20 30 CBEDRO C[C@@H](CN(C)C(=O)C#CC1CC1)[NH2+]CC(=O)N(C)C ZINC001283607651 828528691 /nfs/dbraw/zinc/52/86/91/828528691.db2.gz HHMGGJDWNVSPRL-NSHDSACASA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCOCCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001283608228 828529372 /nfs/dbraw/zinc/52/93/72/828529372.db2.gz PZNHFCDDXRYHFI-CHWSQXEVSA-N 1 0 297.399 -0.061 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1ccsn1)[NH2+]CC(=O)NCC#N ZINC001283630101 828530125 /nfs/dbraw/zinc/53/01/25/828530125.db2.gz BMGWBHNBKOWDPL-VIFPVBQESA-N 1 0 295.368 -0.167 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001283629248 828530144 /nfs/dbraw/zinc/53/01/44/828530144.db2.gz GYOBABNHYZXTMA-SECBINFHSA-N 1 0 299.352 -0.390 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001283677246 828533551 /nfs/dbraw/zinc/53/35/51/828533551.db2.gz JJIZTMOLFHUPDO-ZJUUUORDSA-N 1 0 280.328 -0.956 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001283677245 828533560 /nfs/dbraw/zinc/53/35/60/828533560.db2.gz JJIZTMOLFHUPDO-UWVGGRQHSA-N 1 0 280.328 -0.956 20 30 CBEDRO C[C@H](CN(C)C(=O)Cc1ccco1)[NH2+]CC(=O)NCC#N ZINC001283689820 828534229 /nfs/dbraw/zinc/53/42/29/828534229.db2.gz DGGACPNDEPMPAM-LLVKDONJSA-N 1 0 292.339 -0.102 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1ccncn1)[NH2+]CC(=O)NCC#N ZINC001283691358 828534811 /nfs/dbraw/zinc/53/48/11/828534811.db2.gz LPQRGHRKWFSYJA-JTQLQIEISA-N 1 0 290.327 -0.834 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C)n1 ZINC001283733737 828537473 /nfs/dbraw/zinc/53/74/73/828537473.db2.gz JUUBZDWWALZRFF-CYBMUJFWSA-N 1 0 291.351 -0.280 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C)n[nH]1 ZINC001283733687 828537661 /nfs/dbraw/zinc/53/76/61/828537661.db2.gz JHMJOEFQFDHYMG-NSHDSACASA-N 1 0 280.328 -0.952 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001283733366 828537734 /nfs/dbraw/zinc/53/77/34/828537734.db2.gz LXYFPWCWLOWNOX-GXSJLCMTSA-N 1 0 257.334 -0.846 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1C ZINC001283733852 828537742 /nfs/dbraw/zinc/53/77/42/828537742.db2.gz KQCNVFDRMIDMIH-JTQLQIEISA-N 1 0 252.318 -0.405 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001283742354 828538250 /nfs/dbraw/zinc/53/82/50/828538250.db2.gz HEOXPWYNVYIQMU-NSHDSACASA-N 1 0 260.297 -0.410 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001283781344 828547219 /nfs/dbraw/zinc/54/72/19/828547219.db2.gz CWHMXUILLGJLTL-KGLIPLIRSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001283781557 828547276 /nfs/dbraw/zinc/54/72/76/828547276.db2.gz GITVDWLDAMBPQK-JTQLQIEISA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nnc2ccccc2n1 ZINC001283781533 828547298 /nfs/dbraw/zinc/54/72/98/828547298.db2.gz FWDAXMDCJJGJTA-JTQLQIEISA-N 1 0 285.307 -0.662 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCc1nccn1C ZINC001283784034 828547841 /nfs/dbraw/zinc/54/78/41/828547841.db2.gz KWANVXVBEUZLPE-NSHDSACASA-N 1 0 266.345 -0.395 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCn1nc(C)cc1C ZINC001283784959 828547995 /nfs/dbraw/zinc/54/79/95/828547995.db2.gz QQQPRYBIRIMVME-AWEZNQCLSA-N 1 0 292.383 -0.020 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001283786001 828548008 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CCc1nc(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)co1 ZINC001283743066 828540182 /nfs/dbraw/zinc/54/01/82/828540182.db2.gz CSFLVGIHWWZOKS-LLVKDONJSA-N 1 0 295.339 -0.433 20 30 CBEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001283744078 828540581 /nfs/dbraw/zinc/54/05/81/828540581.db2.gz JWLRPZYMOHIBLW-VXGBXAGGSA-N 1 0 281.356 -0.913 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1nccc(C)n1 ZINC001283744920 828540864 /nfs/dbraw/zinc/54/08/64/828540864.db2.gz OFXNJQXWACOGKC-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]CCO)CCC1 ZINC001283802349 828549158 /nfs/dbraw/zinc/54/91/58/828549158.db2.gz AXAZFUGFNLRVAG-NSHDSACASA-N 1 0 256.346 -0.208 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)CC(F)(F)F ZINC001283747639 828541656 /nfs/dbraw/zinc/54/16/56/828541656.db2.gz XLJAMVHHWFTFOV-QMMMGPOBSA-N 1 0 297.277 -0.692 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccc(C)o1 ZINC001283746604 828542073 /nfs/dbraw/zinc/54/20/73/828542073.db2.gz YBSZOBJAOXUWMU-CYBMUJFWSA-N 1 0 294.351 -0.153 20 30 CBEDRO N#Cc1cccc(C[NH2+][C@H](CO)CNC(=O)CC(N)=O)c1 ZINC001283746057 828542231 /nfs/dbraw/zinc/54/22/31/828542231.db2.gz LVHMTOCHPZIFBX-LBPRGKRZSA-N 1 0 290.323 -1.000 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCCF ZINC001283793718 828549222 /nfs/dbraw/zinc/54/92/22/828549222.db2.gz WFSIGFDNFFNVBR-NSHDSACASA-N 1 0 260.309 -0.547 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001283759800 828543629 /nfs/dbraw/zinc/54/36/29/828543629.db2.gz LMOLYUOIBBNLMY-SNVBAGLBSA-N 1 0 257.334 -0.845 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCC(=O)NC1=O ZINC001283760081 828543961 /nfs/dbraw/zinc/54/39/61/828543961.db2.gz QYAHZKHPRAKJEC-QWRGUYRKSA-N 1 0 297.355 -0.785 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001283760221 828544335 /nfs/dbraw/zinc/54/43/35/828544335.db2.gz VHZKHZCDKSIBEK-GVXVVHGQSA-N 1 0 254.330 -0.334 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCCC2 ZINC001283797534 828549428 /nfs/dbraw/zinc/54/94/28/828549428.db2.gz 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C#CCOC[C@@H](O)C[NH2+]Cc1cn(CCOC)cn1 ZINC001251900788 825805148 /nfs/dbraw/zinc/80/51/48/825805148.db2.gz ZUOFLADFICLZSH-ZDUSSCGKSA-N 1 0 267.329 -0.370 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001251900212 825805377 /nfs/dbraw/zinc/80/53/77/825805377.db2.gz LJWFBWLDYVSDFH-STQMWFEESA-N 1 0 254.330 -0.545 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cccc(OC2COC2)n1 ZINC001251900205 825805461 /nfs/dbraw/zinc/80/54/61/825805461.db2.gz LIFPDIXMBZHQOV-CYBMUJFWSA-N 1 0 292.335 -0.041 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC001251897501 825805654 /nfs/dbraw/zinc/80/56/54/825805654.db2.gz ZBMZBTCRTWBCTI-DZGCQCFKSA-N 1 0 282.384 -0.160 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCCCN1C(=O)C=CC1=O ZINC001251899884 825805689 /nfs/dbraw/zinc/80/56/89/825805689.db2.gz DSNJFEJXANOSDC-LBPRGKRZSA-N 1 0 280.324 -0.708 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1(CC)CCS(=O)(=O)CC1 ZINC001251900296 825806298 /nfs/dbraw/zinc/80/62/98/825806298.db2.gz NKYKDXRNPNOKRN-LBPRGKRZSA-N 1 0 289.397 -0.056 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001251906891 825808306 /nfs/dbraw/zinc/80/83/06/825808306.db2.gz OZINAKWBYRIFMD-LBPRGKRZSA-N 1 0 278.308 -0.032 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@@H](O)COCC)C1=O ZINC001252048787 825815916 /nfs/dbraw/zinc/81/59/16/825815916.db2.gz CDHNCXNVQKDWGF-CHWSQXEVSA-N 1 0 268.357 -0.012 20 30 CBEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C[C@H](O)CO)C2 ZINC001252068847 825828038 /nfs/dbraw/zinc/82/80/38/825828038.db2.gz SJFOIMNESOMNRA-OLZOCXBDSA-N 1 0 278.352 -0.166 20 30 CBEDRO C=CCOC(=O)N1CCC(C[NH2+]C[C@H](O)CO)CC1 ZINC001252075434 825830704 /nfs/dbraw/zinc/83/07/04/825830704.db2.gz MKNRMMBRWJDKNP-LBPRGKRZSA-N 1 0 272.345 -0.036 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001252452830 825865684 /nfs/dbraw/zinc/86/56/84/825865684.db2.gz CZOUBTBPVUDUSF-KBPBESRZSA-N 1 0 270.373 -0.044 20 30 CBEDRO C=CCOC[C@@H](O)C[N@H+]1CCc2nncn2CC1 ZINC001252461078 825867194 /nfs/dbraw/zinc/86/71/94/825867194.db2.gz 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C=C[C@@](C)(O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001252576768 825877109 /nfs/dbraw/zinc/87/71/09/825877109.db2.gz OAGUZCUPBAYEKP-GFCCVEGCSA-N 1 0 291.417 -0.910 20 30 CBEDRO CCOC(=O)[C@H](C#N)NC[C@@H](O)C[NH+](CC)CC ZINC001253209469 825905353 /nfs/dbraw/zinc/90/53/53/825905353.db2.gz FOHCKHGEQGPBKC-MNOVXSKESA-N 1 0 257.334 -0.266 20 30 CBEDRO C#CCN1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253394462 825912578 /nfs/dbraw/zinc/91/25/78/825912578.db2.gz LTYXZICZHFFILZ-CYBMUJFWSA-N 1 0 253.390 -0.014 20 30 CBEDRO C=C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001253577910 825917586 /nfs/dbraw/zinc/91/75/86/825917586.db2.gz QXIYVUGWJQSNNK-XQQFMLRXSA-N 1 0 276.340 -0.087 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001253580130 825917675 /nfs/dbraw/zinc/91/76/75/825917675.db2.gz ABRJDRGGKJMRKP-KBPBESRZSA-N 1 0 284.356 -0.517 20 30 CBEDRO C=C[C@@H](O)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001253584693 825917693 /nfs/dbraw/zinc/91/76/93/825917693.db2.gz QJUPXKOSTNRLIK-CYBMUJFWSA-N 1 0 288.413 -0.272 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001253580144 825918151 /nfs/dbraw/zinc/91/81/51/825918151.db2.gz ABRJDRGGKJMRKP-UONOGXRCSA-N 1 0 284.356 -0.517 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253578100 825918049 /nfs/dbraw/zinc/91/80/49/825918049.db2.gz VHPYWKIYJUONFW-NFAWXSAZSA-N 1 0 298.383 -0.414 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCC[C@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253577915 825918370 /nfs/dbraw/zinc/91/83/70/825918370.db2.gz RBKFYWBHARCZTM-GUTXKFCHSA-N 1 0 298.383 -0.081 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCCN1CCS(=O)(=O)CC1 ZINC001253609835 825919520 /nfs/dbraw/zinc/91/95/20/825919520.db2.gz ZDBIWKLTUIEHBJ-LLVKDONJSA-N 1 0 262.375 -0.757 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@@H](O)CC(=O)OCC)C1=O ZINC001253810539 825934183 /nfs/dbraw/zinc/93/41/83/825934183.db2.gz GLNSHUWTBBLJTJ-QWHCGFSZSA-N 1 0 296.367 -0.096 20 30 CBEDRO C#CC[S@@](=O)Cc1cn(C[C@H]2CC3(C[NH2+]C3)CO2)nn1 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N#CCCC[C@H]([NH3+])C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001263185776 826751619 /nfs/dbraw/zinc/75/16/19/826751619.db2.gz IQUSYEYONSKMJZ-RYUDHWBXSA-N 1 0 266.345 -0.449 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC001263185304 826752132 /nfs/dbraw/zinc/75/21/32/826752132.db2.gz WHKLATCWRZCXED-NWDGAFQWSA-N 1 0 254.330 -0.233 20 30 CBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001263703659 826771471 /nfs/dbraw/zinc/77/14/71/826771471.db2.gz DJNJRAWUVQGGSC-GMTAPVOTSA-N 1 0 266.345 -0.320 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001263827812 826781698 /nfs/dbraw/zinc/78/16/98/826781698.db2.gz QGVPILXBCZUTMH-BBBLOLIVSA-N 1 0 252.318 -0.624 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cocn2)C1 ZINC001263827411 826782277 /nfs/dbraw/zinc/78/22/77/826782277.db2.gz CFYHYMKKUKWKGR-AOOOYVTPSA-N 1 0 291.311 -0.588 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001263836458 826783672 /nfs/dbraw/zinc/78/36/72/826783672.db2.gz 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/nfs/dbraw/zinc/27/77/21/827277721.db2.gz HSRSVQWNSUBZKH-CMPLNLGQSA-N 1 0 291.351 -0.453 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CCCCC1 ZINC001268294030 827279048 /nfs/dbraw/zinc/27/90/48/827279048.db2.gz CRYRFMPBUXYNSD-CYBMUJFWSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC=CC1 ZINC001268295187 827279325 /nfs/dbraw/zinc/27/93/25/827279325.db2.gz CEDLANYDKILMDB-YPMHNXCESA-N 1 0 295.383 -0.290 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC=CC1 ZINC001268295186 827279518 /nfs/dbraw/zinc/27/95/18/827279518.db2.gz CEDLANYDKILMDB-WCQYABFASA-N 1 0 295.383 -0.290 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cncnc1C ZINC001268297759 827282765 /nfs/dbraw/zinc/28/27/65/827282765.db2.gz HJJRQKMILOFENA-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001268300196 827283843 /nfs/dbraw/zinc/28/38/43/827283843.db2.gz GTQJRGAXDOIBRT-JTQLQIEISA-N 1 0 250.302 -0.876 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001268303856 827286515 /nfs/dbraw/zinc/28/65/15/827286515.db2.gz DRLPVOGEBPUVQL-NSHDSACASA-N 1 0 283.372 -0.761 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)[nH]1 ZINC001268303883 827287086 /nfs/dbraw/zinc/28/70/86/827287086.db2.gz IPCKGVBAOTYVCG-NSHDSACASA-N 1 0 262.313 -0.023 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C=C1CCC1 ZINC001268302639 827287255 /nfs/dbraw/zinc/28/72/55/827287255.db2.gz TXEUUCLKTUXLFQ-WCQYABFASA-N 1 0 295.383 -0.146 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC(=C)Cl ZINC001268304752 827288748 /nfs/dbraw/zinc/28/87/48/827288748.db2.gz NZPHKZJMYHUQFL-GHMZBOCLSA-N 1 0 274.748 -0.156 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccnn1C ZINC001268306174 827290609 /nfs/dbraw/zinc/29/06/09/827290609.db2.gz MABHYOZYZOUZIT-GFCCVEGCSA-N 1 0 266.345 -0.395 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001268309121 827291012 /nfs/dbraw/zinc/29/10/12/827291012.db2.gz SGXALHQYJJGIKI-NSHDSACASA-N 1 0 279.344 -0.592 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CN(C)C(=O)C1CC1 ZINC001268308385 827291185 /nfs/dbraw/zinc/29/11/85/827291185.db2.gz ZLHDEQDFVKYAOH-NSHDSACASA-N 1 0 269.345 -0.893 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001268308703 827291526 /nfs/dbraw/zinc/29/15/26/827291526.db2.gz PLMYTZQGSJPGQI-CHWSQXEVSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001268308991 827291876 /nfs/dbraw/zinc/29/18/76/827291876.db2.gz RBIFIUMBGZXROA-CABCVRRESA-N 1 0 293.411 -0.049 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001268312049 827292352 /nfs/dbraw/zinc/29/23/52/827292352.db2.gz AIPHFOYGDKAAGE-NSHDSACASA-N 1 0 277.324 -0.911 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCNC1=O ZINC001268311601 827292413 /nfs/dbraw/zinc/29/24/13/827292413.db2.gz LSEOXHULYJWMGV-MNOVXSKESA-N 1 0 269.345 -0.845 20 30 CBEDRO C=C(Cl)C[NH2+]CCN(CC)C(=O)Cn1cnnn1 ZINC001268435489 827328396 /nfs/dbraw/zinc/32/83/96/827328396.db2.gz YGZNLRRISSDTOD-UHFFFAOYSA-N 1 0 272.740 -0.136 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001268312697 827292843 /nfs/dbraw/zinc/29/28/43/827292843.db2.gz IBXHUWXADWUARN-MNOVXSKESA-N 1 0 269.345 -0.702 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2ncnn21 ZINC001268312116 827292879 /nfs/dbraw/zinc/29/28/79/827292879.db2.gz BDINFHHDBDZFHD-SNVBAGLBSA-N 1 0 273.296 -0.957 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268311533 827293085 /nfs/dbraw/zinc/29/30/85/827293085.db2.gz KEROTJHGVLYKQN-NSHDSACASA-N 1 0 292.339 -0.497 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC1(C)CC1 ZINC001268313529 827294097 /nfs/dbraw/zinc/29/40/97/827294097.db2.gz DTFGNMPFBJXMSY-NWDGAFQWSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001268314200 827294112 /nfs/dbraw/zinc/29/41/12/827294112.db2.gz HWIIIVYYDYADMX-GFCCVEGCSA-N 1 0 277.324 -0.911 20 30 CBEDRO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001268314745 827294241 /nfs/dbraw/zinc/29/42/41/827294241.db2.gz LBPOKUXAGPFEMX-QWRGUYRKSA-N 1 0 298.387 -0.625 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001268313526 827294383 /nfs/dbraw/zinc/29/43/83/827294383.db2.gz DSIZBJLCOLFQIR-GFCCVEGCSA-N 1 0 262.313 -0.891 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COc2ccccc2C1 ZINC001268314254 827294623 /nfs/dbraw/zinc/29/46/23/827294623.db2.gz YFLUHOMIMRQTTB-ZIAGYGMSSA-N 1 0 288.347 -0.062 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC1(C)CC1 ZINC001268313528 827294818 /nfs/dbraw/zinc/29/48/18/827294818.db2.gz DTFGNMPFBJXMSY-NEPJUHHUSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001268315578 827295347 /nfs/dbraw/zinc/29/53/47/827295347.db2.gz NYZKEWMWLKQLFD-OCCSQVGLSA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001268315577 827295510 /nfs/dbraw/zinc/29/55/10/827295510.db2.gz NYZKEWMWLKQLFD-JSGCOSHPSA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001268319552 827296663 /nfs/dbraw/zinc/29/66/63/827296663.db2.gz IVHMCXLPJCTBFB-CHWSQXEVSA-N 1 0 295.383 -0.475 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C)co1 ZINC001268320167 827298209 /nfs/dbraw/zinc/29/82/09/827298209.db2.gz OMDJCNLWZYHPMA-LLVKDONJSA-N 1 0 295.339 -0.429 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268320352 827298948 /nfs/dbraw/zinc/29/89/48/827298948.db2.gz AGGZWDSFSGZJHA-GRYCIOLGSA-N 1 0 299.371 -0.948 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1sc(N(C)C)nc1C ZINC001268322377 827299269 /nfs/dbraw/zinc/29/92/69/827299269.db2.gz DOLDBJOGQYQDMI-SNVBAGLBSA-N 1 0 296.396 -0.169 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001268322986 827299694 /nfs/dbraw/zinc/29/96/94/827299694.db2.gz VCSRVQJCRMUKCJ-SNVBAGLBSA-N 1 0 294.355 -0.240 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001268323268 827299921 /nfs/dbraw/zinc/29/99/21/827299921.db2.gz MEQRRGQGYLSACQ-QMMMGPOBSA-N 1 0 254.265 -0.748 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1ncccn1 ZINC001268326096 827301164 /nfs/dbraw/zinc/30/11/64/827301164.db2.gz ISYPRRWLZSBRKH-NSHDSACASA-N 1 0 264.329 -0.338 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001268326149 827302133 /nfs/dbraw/zinc/30/21/33/827302133.db2.gz COTPGTCSPSIPGQ-JQWIXIFHSA-N 1 0 276.340 -0.786 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001268327939 827302711 /nfs/dbraw/zinc/30/27/11/827302711.db2.gz UPDYSNBITGHCSZ-ZJUUUORDSA-N 1 0 267.333 -0.160 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC ZINC001268326626 827302776 /nfs/dbraw/zinc/30/27/76/827302776.db2.gz YGNDZODWASUWMB-RYUDHWBXSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001268328986 827304751 /nfs/dbraw/zinc/30/47/51/827304751.db2.gz QDXGVTCMNQSZSJ-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nn(C)c2ccccc21 ZINC001268330411 827305038 /nfs/dbraw/zinc/30/50/38/827305038.db2.gz IVAARXWJUYAEES-LLVKDONJSA-N 1 0 286.335 -0.113 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001268333802 827306041 /nfs/dbraw/zinc/30/60/41/827306041.db2.gz GUTSSMCCTPSRED-NWDGAFQWSA-N 1 0 293.371 -0.517 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1cncn1C ZINC001268331002 827306192 /nfs/dbraw/zinc/30/61/92/827306192.db2.gz FBLHIISVRMJFSC-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001268333887 827306678 /nfs/dbraw/zinc/30/66/78/827306678.db2.gz HNUMRJSTXCRTOX-ZDUSSCGKSA-N 1 0 278.356 -0.328 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001268332803 827307015 /nfs/dbraw/zinc/30/70/15/827307015.db2.gz QLDUJMXLMMNNIM-JTQLQIEISA-N 1 0 280.328 -0.963 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)nn(C)c1F ZINC001268330987 827307049 /nfs/dbraw/zinc/30/70/49/827307049.db2.gz DREVHDWBPKXJBP-SECBINFHSA-N 1 0 270.308 -0.266 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268335289 827307826 /nfs/dbraw/zinc/30/78/26/827307826.db2.gz RIRNGUQIURUPQN-UONOGXRCSA-N 1 0 281.400 -0.049 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001268334082 827307913 /nfs/dbraw/zinc/30/79/13/827307913.db2.gz JLDVYCCRLBDQEC-GFCCVEGCSA-N 1 0 264.329 -0.947 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1noc2c1COCC2 ZINC001268335127 827308115 /nfs/dbraw/zinc/30/81/15/827308115.db2.gz PUVHHTPUOHTECY-SNVBAGLBSA-N 1 0 293.323 -0.549 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001268336771 827309527 /nfs/dbraw/zinc/30/95/27/827309527.db2.gz WGPGLDVVYALSRR-LLVKDONJSA-N 1 0 287.323 -0.339 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cscn1 ZINC001268349514 827312182 /nfs/dbraw/zinc/31/21/82/827312182.db2.gz LNKIATLVLRMSBR-SECBINFHSA-N 1 0 295.368 -0.119 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001268366431 827315545 /nfs/dbraw/zinc/31/55/45/827315545.db2.gz 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/nfs/dbraw/zinc/32/50/07/827325007.db2.gz CRGDEKOAYZKDCE-JTQLQIEISA-N 1 0 280.328 -0.954 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(C)=O ZINC001268430460 827327111 /nfs/dbraw/zinc/32/71/11/827327111.db2.gz ZAXCWGWELYVDAU-UHFFFAOYSA-N 1 0 270.333 -0.544 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)CN(C)C(C)=O ZINC001268436301 827329188 /nfs/dbraw/zinc/32/91/88/827329188.db2.gz WEEXRSRWZDWDMU-UHFFFAOYSA-N 1 0 283.372 -0.447 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1COC(=O)N1 ZINC001268448222 827332135 /nfs/dbraw/zinc/33/21/35/827332135.db2.gz OJUXWIMCDXXKNF-LLVKDONJSA-N 1 0 283.328 -0.817 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]C[C@@H](C)O ZINC001268449650 827332929 /nfs/dbraw/zinc/33/29/29/827332929.db2.gz KQDSEQDUMUMFEW-VXGBXAGGSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CN(C)S(C)(=O)=O ZINC001268457142 827334321 /nfs/dbraw/zinc/33/43/21/827334321.db2.gz ULOLVKXPTJYXAP-UHFFFAOYSA-N 1 0 289.401 -0.661 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)Cn1ncn(C)c1=O ZINC001268461198 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827388615 /nfs/dbraw/zinc/38/86/15/827388615.db2.gz SDYLUXUAXDJKQF-GHMZBOCLSA-N 1 0 295.383 -0.166 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cocn1 ZINC001268640930 827388944 /nfs/dbraw/zinc/38/89/44/827388944.db2.gz TTWVUHDZKMPQNW-ZJUUUORDSA-N 1 0 278.312 -0.480 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cncc(C)c1 ZINC001268642434 827389265 /nfs/dbraw/zinc/38/92/65/827389265.db2.gz RJVRBBZRHWSLHY-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO C[C@H](C[NH2+]CCOCCO)NC(=O)c1cc(C#N)c[nH]1 ZINC001268642823 827389478 /nfs/dbraw/zinc/38/94/78/827389478.db2.gz VECBJCUCVKTIFN-SNVBAGLBSA-N 1 0 280.328 -0.397 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(C)nn1 ZINC001268645395 827390636 /nfs/dbraw/zinc/39/06/36/827390636.db2.gz CZUAIJDRDKMBGL-LLVKDONJSA-N 1 0 289.339 -0.758 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnc[nH]c1=O ZINC001268650301 827392774 /nfs/dbraw/zinc/39/27/74/827392774.db2.gz GKPLSBQSRVNVAZ-SECBINFHSA-N 1 0 293.327 -0.808 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c(C)ncn1C ZINC001268649563 827392874 /nfs/dbraw/zinc/39/28/74/827392874.db2.gz OEIUWWOVOLMQDA-SNVBAGLBSA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268666517 827396097 /nfs/dbraw/zinc/39/60/97/827396097.db2.gz VSOXBMBBALLLAV-SECBINFHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001268661596 827396889 /nfs/dbraw/zinc/39/68/89/827396889.db2.gz ARXFSJKAADZPLK-GHMZBOCLSA-N 1 0 278.360 -0.094 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268661744 827396909 /nfs/dbraw/zinc/39/69/09/827396909.db2.gz ILJPGKVTUMUECJ-LLVKDONJSA-N 1 0 263.345 -0.135 20 30 CBEDRO C=CCCn1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NC)nn1 ZINC001268664682 827397037 /nfs/dbraw/zinc/39/70/37/827397037.db2.gz HYALWSGDUKXWNK-SNVBAGLBSA-N 1 0 294.359 -0.692 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)nc1 ZINC001268670760 827397739 /nfs/dbraw/zinc/39/77/39/827397739.db2.gz IWPSQPRHLQGLHB-YPMHNXCESA-N 1 0 291.351 -0.222 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001268672104 827398284 /nfs/dbraw/zinc/39/82/84/827398284.db2.gz ULSHADFVMDXQKQ-NXEZZACHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(C)(C)F ZINC001268677306 827399036 /nfs/dbraw/zinc/39/90/36/827399036.db2.gz XJHQIPWMSUMBDH-QMMMGPOBSA-N 1 0 258.297 -0.531 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001268676503 827400011 /nfs/dbraw/zinc/40/00/11/827400011.db2.gz RZRZYAQZQSBWCN-NEPJUHHUSA-N 1 0 296.371 -0.726 20 30 CBEDRO Cc1cc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001268680535 827401151 /nfs/dbraw/zinc/40/11/51/827401151.db2.gz PVTGUKNUXZNYAW-VIFPVBQESA-N 1 0 278.316 -0.934 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001268680369 827401504 /nfs/dbraw/zinc/40/15/04/827401504.db2.gz KXEIRXMWBJRKLY-JTQLQIEISA-N 1 0 279.344 -0.272 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CSCC#N ZINC001268678987 827401699 /nfs/dbraw/zinc/40/16/99/827401699.db2.gz VPFCAWKFTSFWMW-DTWKUNHWSA-N 1 0 270.358 -0.774 20 30 CBEDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001268682052 827402420 /nfs/dbraw/zinc/40/24/20/827402420.db2.gz OIJFKMCPNSSTJC-JGVFFNPUSA-N 1 0 263.301 -0.532 20 30 CBEDRO C#CCCCC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268684932 827402474 /nfs/dbraw/zinc/40/24/74/827402474.db2.gz YDRVEMHMLSXHQP-QWRGUYRKSA-N 1 0 279.340 -0.311 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC ZINC001268682962 827402554 /nfs/dbraw/zinc/40/25/54/827402554.db2.gz QLVWIHPRZIKSLW-VHSXEESVSA-N 1 0 257.334 -0.582 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268692847 827404883 /nfs/dbraw/zinc/40/48/83/827404883.db2.gz SYAJJPVRRYVYFF-JTQLQIEISA-N 1 0 278.312 -0.934 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001268697145 827405422 /nfs/dbraw/zinc/40/54/22/827405422.db2.gz HQHMIMAFGZVODS-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001268698950 827406342 /nfs/dbraw/zinc/40/63/42/827406342.db2.gz CPQSNGLCDZBBBO-CMPLNLGQSA-N 1 0 271.336 -0.176 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001268699473 827406573 /nfs/dbraw/zinc/40/65/73/827406573.db2.gz ONCIERRWNKWEKO-NWDGAFQWSA-N 1 0 281.356 -0.791 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)CCn1cnccc1=O ZINC001268707588 827407197 /nfs/dbraw/zinc/40/71/97/827407197.db2.gz GZAZYKPNWCZFJK-NSHDSACASA-N 1 0 262.313 -0.639 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001268717035 827409183 /nfs/dbraw/zinc/40/91/83/827409183.db2.gz PATNXGLFORTIAV-JTQLQIEISA-N 1 0 274.324 -0.088 20 30 CBEDRO C=CCCC(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CNC1=O ZINC001268726007 827412078 /nfs/dbraw/zinc/41/20/78/827412078.db2.gz WPLWTIWJBCFPPL-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C=CCCn1cc(C(=O)N[C@H](C)C[N@H+](C)CCO)nn1 ZINC001268749907 827416884 /nfs/dbraw/zinc/41/68/84/827416884.db2.gz FKZNAPWPZRINHR-LLVKDONJSA-N 1 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C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001272585599 827826334 /nfs/dbraw/zinc/82/63/34/827826334.db2.gz WSAOTKZHQJJCPT-KGLIPLIRSA-N 1 0 299.415 -0.260 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001272585881 827826459 /nfs/dbraw/zinc/82/64/59/827826459.db2.gz XRWJYZWOTVPGRP-ZDUSSCGKSA-N 1 0 278.356 -0.328 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001272593252 827827348 /nfs/dbraw/zinc/82/73/48/827827348.db2.gz VGWIIBNTJVYPSJ-ZDUSSCGKSA-N 1 0 291.351 -0.419 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001272593483 827827707 /nfs/dbraw/zinc/82/77/07/827827707.db2.gz XRNTVAGTWHGVNJ-TZMCWYRMSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(F)F ZINC001272598930 827828212 /nfs/dbraw/zinc/82/82/12/827828212.db2.gz BMKUSFDUTYOYKT-QMMMGPOBSA-N 1 0 261.272 -0.515 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCn1ccnc1 ZINC001272593684 827828456 /nfs/dbraw/zinc/82/84/56/827828456.db2.gz ZMFBMCRHCAZXFF-LBPRGKRZSA-N 1 0 264.329 -0.637 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001272642143 827829654 /nfs/dbraw/zinc/82/96/54/827829654.db2.gz RLLRAMKRKZZAOF-NEPJUHHUSA-N 1 0 299.396 -0.861 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCNS(C)(=O)=O ZINC001272688742 827833301 /nfs/dbraw/zinc/83/33/01/827833301.db2.gz QOUYSNWPOGSXCH-UWVGGRQHSA-N 1 0 290.389 -0.820 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCOC1 ZINC001272680747 827833386 /nfs/dbraw/zinc/83/33/86/827833386.db2.gz RXKAEHIJIZYBTJ-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C#N ZINC001272687708 827834489 /nfs/dbraw/zinc/83/44/89/827834489.db2.gz BPFRDCMPSRWEFP-ZJUUUORDSA-N 1 0 254.334 -0.233 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001272774360 827838793 /nfs/dbraw/zinc/83/87/93/827838793.db2.gz UOVQGVYEBXQTBK-RYUDHWBXSA-N 1 0 298.387 -0.433 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC ZINC001272774132 827839104 /nfs/dbraw/zinc/83/91/04/827839104.db2.gz RNXZQRYRPZJAIX-QWRGUYRKSA-N 1 0 269.345 -0.745 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001272774361 827839403 /nfs/dbraw/zinc/83/94/03/827839403.db2.gz UOVQGVYEBXQTBK-VXGBXAGGSA-N 1 0 298.387 -0.433 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001272774358 827839536 /nfs/dbraw/zinc/83/95/36/827839536.db2.gz UOVQGVYEBXQTBK-NEPJUHHUSA-N 1 0 298.387 -0.433 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001272774869 827839608 /nfs/dbraw/zinc/83/96/08/827839608.db2.gz ZUMFEBNSVHSWGT-ZJUUUORDSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCNC1=O ZINC001272773742 827839658 /nfs/dbraw/zinc/83/96/58/827839658.db2.gz NUWSMSWTQLRNHB-QWHCGFSZSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001272802358 827840735 /nfs/dbraw/zinc/84/07/35/827840735.db2.gz NVBSTNMKVRQTKG-SNVBAGLBSA-N 1 0 272.370 -0.461 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccns1 ZINC001272813761 827841511 /nfs/dbraw/zinc/84/15/11/827841511.db2.gz JVAIIYJBIQULCL-JTQLQIEISA-N 1 0 294.380 -0.010 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001272882403 827847903 /nfs/dbraw/zinc/84/79/03/827847903.db2.gz RRKBDGOHAGCJHH-ZJUUUORDSA-N 1 0 294.359 -0.407 20 30 CBEDRO COCC#CCN1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001272885508 827848021 /nfs/dbraw/zinc/84/80/21/827848021.db2.gz MZJVJYVUJLLRPV-CQSZACIVSA-N 1 0 297.399 -0.595 20 30 CBEDRO COCC#CC(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001272954794 827851818 /nfs/dbraw/zinc/85/18/18/827851818.db2.gz MSSKXJBUJQQKHT-UHFFFAOYSA-N 1 0 279.384 -0.268 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001272965436 827852868 /nfs/dbraw/zinc/85/28/68/827852868.db2.gz CAAXXFIPMZVTJK-CIQGVGRVSA-N 1 0 293.367 -0.887 20 30 CBEDRO CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CCC1 ZINC001273056935 827858323 /nfs/dbraw/zinc/85/83/23/827858323.db2.gz 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C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001278378643 828268495 /nfs/dbraw/zinc/26/84/95/828268495.db2.gz OCHCUNQBVODYTQ-UWVGGRQHSA-N 1 0 254.334 -0.320 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001278392958 828268934 /nfs/dbraw/zinc/26/89/34/828268934.db2.gz ZJAGZXMFHZPQON-QWRGUYRKSA-N 1 0 294.359 -0.395 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)NC)C1 ZINC001278422942 828270466 /nfs/dbraw/zinc/27/04/66/828270466.db2.gz GMQWUIZEWGIKPN-GHMZBOCLSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2nnn(C)n2)C1 ZINC001278534740 828272857 /nfs/dbraw/zinc/27/28/57/828272857.db2.gz CYPBINQOHRTZKQ-LBPRGKRZSA-N 1 0 262.317 -0.715 20 30 CBEDRO COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cn[nH]n2)C1 ZINC001278518839 828273133 /nfs/dbraw/zinc/27/31/33/828273133.db2.gz JXPGRWHOXZTEPX-AWEZNQCLSA-N 1 0 291.355 -0.104 20 30 CBEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001278614060 828274439 /nfs/dbraw/zinc/27/44/39/828274439.db2.gz 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C=CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001329768893 886201898 /nfs/dbraw/zinc/20/18/98/886201898.db2.gz VTQOEQAAHIBPKA-NWDGAFQWSA-N 1 0 283.372 -0.061 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001329857281 886243496 /nfs/dbraw/zinc/24/34/96/886243496.db2.gz UDGPXXRVGVJMNK-LLVKDONJSA-N 1 0 269.345 -0.498 20 30 CBEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001329912121 886267749 /nfs/dbraw/zinc/26/77/49/886267749.db2.gz RHQHVBUWJWZEOW-ZDUSSCGKSA-N 1 0 296.371 -0.335 20 30 CBEDRO NC(=O)Cn1ccc(NC(=O)C#CC2CC[NH2+]CC2)n1 ZINC001329922907 886276385 /nfs/dbraw/zinc/27/63/85/886276385.db2.gz AZPCOHKIVHZRGU-UHFFFAOYSA-N 1 0 275.312 -0.690 20 30 CBEDRO NC(=O)C1(CNC(=O)C#CC2CC[NH2+]CC2)CCOCC1 ZINC001329925047 886277613 /nfs/dbraw/zinc/27/76/13/886277613.db2.gz XDVGTPWVDMJBPM-UHFFFAOYSA-N 1 0 293.367 -0.612 20 30 CBEDRO NC(=O)N[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001329938912 886289657 /nfs/dbraw/zinc/28/96/57/886289657.db2.gz XRYQDYCWERLFCA-NSHDSACASA-N 1 0 264.329 -0.741 20 30 CBEDRO C=CCOCC[NH+]1CC([C@@H](C)NC(=O)CC(N)=O)C1 ZINC001329983356 886312304 /nfs/dbraw/zinc/31/23/04/886312304.db2.gz HZTVAPVABIXVST-SNVBAGLBSA-N 1 0 269.345 -0.499 20 30 CBEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)CCNC(=O)NC)C1 ZINC001329986185 886313104 /nfs/dbraw/zinc/31/31/04/886313104.db2.gz XLSMISRIADYXGY-SNVBAGLBSA-N 1 0 268.361 -0.072 20 30 CBEDRO CC#CC[NH+]1CC([C@@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001330001253 886319659 /nfs/dbraw/zinc/31/96/59/886319659.db2.gz VGHYOSKMIKYVDQ-GFCCVEGCSA-N 1 0 293.367 -0.695 20 30 CBEDRO C=CCn1cc(CNC(=O)NCC2([NH3+])CCOCC2)nn1 ZINC001330006663 886321257 /nfs/dbraw/zinc/32/12/57/886321257.db2.gz AZAVEDBLMSZZKR-UHFFFAOYSA-N 1 0 294.359 -0.229 20 30 CBEDRO C=CC[NH+]1CC([C@H](C)NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001330019466 886327871 /nfs/dbraw/zinc/32/78/71/886327871.db2.gz DXDGQYLYZDORCN-LBPRGKRZSA-N 1 0 294.399 -0.617 20 30 CBEDRO C[C@H]1CNC(NN=C2CCCS(=O)(=O)CC2)=[NH+]1 ZINC001330025979 886331110 /nfs/dbraw/zinc/33/11/10/886331110.db2.gz 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CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2n[nH]nc2C)CCO1 ZINC001330403625 886443037 /nfs/dbraw/zinc/44/30/37/886443037.db2.gz JUIBDLFFQWHCCP-ZYHUDNBSSA-N 1 0 291.355 -0.044 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[C@H](C)COC ZINC001330532886 886473435 /nfs/dbraw/zinc/47/34/35/886473435.db2.gz UCTFYDUCMJTUBF-VXGBXAGGSA-N 1 0 299.371 -0.860 20 30 CBEDRO CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001330566543 886480541 /nfs/dbraw/zinc/48/05/41/886480541.db2.gz XNDSNPBXHHEUFW-JHJVBQTASA-N 1 0 266.341 -0.091 20 30 CBEDRO C=CCCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001330578613 886487265 /nfs/dbraw/zinc/48/72/65/886487265.db2.gz URYPGBYDKXBMQU-XYPYZODXSA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001330605580 886498831 /nfs/dbraw/zinc/49/88/31/886498831.db2.gz PYTUQZYSAQDWHI-XYPYZODXSA-N 1 0 289.401 -0.452 20 30 CBEDRO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001330650111 886517391 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C=CCOCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001331100217 886673437 /nfs/dbraw/zinc/67/34/37/886673437.db2.gz QCNPFVJAVXFKKQ-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC001331166621 886704370 /nfs/dbraw/zinc/70/43/70/886704370.db2.gz UTIXYYPJXAHPCZ-LBPRGKRZSA-N 1 0 295.383 -0.231 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331183453 886717640 /nfs/dbraw/zinc/71/76/40/886717640.db2.gz HVSUXPQEOCQQNV-TXEJJXNPSA-N 1 0 261.325 -0.675 20 30 CBEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)C2 ZINC001331196845 886722595 /nfs/dbraw/zinc/72/25/95/886722595.db2.gz OKEBPUJZSROJDN-UONOGXRCSA-N 1 0 298.346 -0.299 20 30 CBEDRO C=CCN1CC[C@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC001331230358 886741828 /nfs/dbraw/zinc/74/18/28/886741828.db2.gz ULHSLVMENSMDTD-ZDUSSCGKSA-N 1 0 298.383 -0.391 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC001331261798 886754051 /nfs/dbraw/zinc/75/40/51/886754051.db2.gz 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C#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1C ZINC001331683097 886904516 /nfs/dbraw/zinc/90/45/16/886904516.db2.gz JSNWDBCYJSJQSU-JTQLQIEISA-N 1 0 250.302 -0.958 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C)nc1 ZINC001331683700 886904816 /nfs/dbraw/zinc/90/48/16/886904816.db2.gz MILRFAHBQJZMKB-CQSZACIVSA-N 1 0 291.351 -0.280 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001331686756 886907964 /nfs/dbraw/zinc/90/79/64/886907964.db2.gz XMZATZIEUASWQP-VXGBXAGGSA-N 1 0 272.345 -0.565 20 30 CBEDRO N#CCCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331692485 886911101 /nfs/dbraw/zinc/91/11/01/886911101.db2.gz WABXPKYANWSMEM-SECBINFHSA-N 1 0 288.298 -0.233 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ncccc1O ZINC001331706158 886919857 /nfs/dbraw/zinc/91/98/57/886919857.db2.gz JQUFZFQQCSGSDD-VIFPVBQESA-N 1 0 251.286 -0.347 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C ZINC001331709084 886923507 /nfs/dbraw/zinc/92/35/07/886923507.db2.gz VKYQEPNUPMSHHS-LBPRGKRZSA-N 1 0 278.356 -0.354 20 30 CBEDRO CCn1ccnc1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001331708501 886925058 /nfs/dbraw/zinc/92/50/58/886925058.db2.gz SHSSCWPDEJDMOH-LBPRGKRZSA-N 1 0 294.355 -0.767 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCOCC1 ZINC001331708487 886925688 /nfs/dbraw/zinc/92/56/88/886925688.db2.gz SDOCJEVLOVYNGA-UONOGXRCSA-N 1 0 298.383 -0.480 20 30 CBEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C ZINC001331709977 886928433 /nfs/dbraw/zinc/92/84/33/886928433.db2.gz ZLLWJPAKYBWOAN-GFCCVEGCSA-N 1 0 297.399 -0.229 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001331709538 886928854 /nfs/dbraw/zinc/92/88/54/886928854.db2.gz YCBXCQWELOXJJZ-STQMWFEESA-N 1 0 268.357 -0.107 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1nn(C)cc1C ZINC001331713216 886930331 /nfs/dbraw/zinc/93/03/31/886930331.db2.gz XEIQPSUMOWHDII-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001331713241 886929930 /nfs/dbraw/zinc/92/99/30/886929930.db2.gz XNWHKAAHKQQBFV-CQSZACIVSA-N 1 0 290.367 -0.291 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC001331712789 886931402 /nfs/dbraw/zinc/93/14/02/886931402.db2.gz QVDFTQCTAZSTOV-VIFPVBQESA-N 1 0 260.301 -0.449 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1ccccc1=O ZINC001331723531 886937092 /nfs/dbraw/zinc/93/70/92/886937092.db2.gz CKUHOEYGICHOLB-CYBMUJFWSA-N 1 0 291.351 -0.672 20 30 CBEDRO N#CCN[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001331725412 886938376 /nfs/dbraw/zinc/93/83/76/886938376.db2.gz NTESNIGERVIZIR-JSGCOSHPSA-N 1 0 294.399 -0.016 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)COc1cc(C)on1 ZINC001331726604 886939577 /nfs/dbraw/zinc/93/95/77/886939577.db2.gz UJUATQYUAUJKPJ-JTQLQIEISA-N 1 0 269.301 -0.385 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1(C)CC1 ZINC001331724848 886939729 /nfs/dbraw/zinc/93/97/29/886939729.db2.gz LDVMWRFPKOTTGM-WDEREUQCSA-N 1 0 283.372 -0.456 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001331725553 886940455 /nfs/dbraw/zinc/94/04/55/886940455.db2.gz PALLNMHRYJMZDO-WDEREUQCSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001331740120 886949344 /nfs/dbraw/zinc/94/93/44/886949344.db2.gz NYWOOMVXJHZEPX-NEPJUHHUSA-N 1 0 276.340 -0.855 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1nc(C)cc1C ZINC001331739049 886950431 /nfs/dbraw/zinc/95/04/31/886950431.db2.gz GIPSZYMOQICWFV-ZDUSSCGKSA-N 1 0 278.356 -0.410 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)nc1 ZINC001331739999 886950470 /nfs/dbraw/zinc/95/04/70/886950470.db2.gz NPSCFVFBSVFPCA-GFCCVEGCSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CCN(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331753679 886956308 /nfs/dbraw/zinc/95/63/08/886956308.db2.gz LFKIUZQGAJRLAO-UHFFFAOYSA-N 1 0 255.318 -0.745 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001331757382 886958085 /nfs/dbraw/zinc/95/80/85/886958085.db2.gz MEKLXDYZDLHLJS-GFCCVEGCSA-N 1 0 295.387 -0.053 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001331770649 886967369 /nfs/dbraw/zinc/96/73/69/886967369.db2.gz HZHCMBXGXUCJTJ-CYBMUJFWSA-N 1 0 295.383 -0.521 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001331773001 886971846 /nfs/dbraw/zinc/97/18/46/886971846.db2.gz RYTVRETWNZUZDU-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001331775298 886975601 /nfs/dbraw/zinc/97/56/01/886975601.db2.gz QRTAYTKBAVGBIR-OLZOCXBDSA-N 1 0 295.383 -0.524 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCc1cnn(C)n1 ZINC001331787970 886980431 /nfs/dbraw/zinc/98/04/31/886980431.db2.gz NTGUJSGXOZKGFH-NSHDSACASA-N 1 0 267.333 -1.000 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001331786971 886980548 /nfs/dbraw/zinc/98/05/48/886980548.db2.gz FLLWHGMXHZUFGF-NWDGAFQWSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001331786970 886981673 /nfs/dbraw/zinc/98/16/73/886981673.db2.gz FLLWHGMXHZUFGF-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001331825222 887000160 /nfs/dbraw/zinc/00/01/60/887000160.db2.gz NNDSBWFQELLNRT-CHWSQXEVSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c2c(nn1C)CCC2 ZINC001331826471 887000185 /nfs/dbraw/zinc/00/01/85/887000185.db2.gz TWXOGFBBSVLYGK-LLVKDONJSA-N 1 0 290.367 -0.388 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cc1c(C)noc1C ZINC001331835659 887004668 /nfs/dbraw/zinc/00/46/68/887004668.db2.gz MLDYXGARFAXEMN-LBPRGKRZSA-N 1 0 279.340 -0.076 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC)[C@@H]1C ZINC001331842750 887008593 /nfs/dbraw/zinc/00/85/93/887008593.db2.gz RFUASVGIXFJVPF-MNOVXSKESA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC)[C@H]1C ZINC001331842751 887009933 /nfs/dbraw/zinc/00/99/33/887009933.db2.gz RFUASVGIXFJVPF-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001331849506 887011631 /nfs/dbraw/zinc/01/16/31/887011631.db2.gz CARRHTZNRVKESO-RYUDHWBXSA-N 1 0 294.359 -0.545 20 30 CBEDRO C[C@H](C#N)OCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC001331885231 887029163 /nfs/dbraw/zinc/02/91/63/887029163.db2.gz YGEWPNQNYGMJNA-LLVKDONJSA-N 1 0 264.333 -0.388 20 30 CBEDRO COCC[NH2+]CCc1cn(CCn2cc(C#N)cn2)nn1 ZINC001331917729 887046936 /nfs/dbraw/zinc/04/69/36/887046936.db2.gz LNRGPZUTMDBVSY-UHFFFAOYSA-N 1 0 289.343 -0.175 20 30 CBEDRO COCC#CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001331931145 887052197 /nfs/dbraw/zinc/05/21/97/887052197.db2.gz LXDADGJMGJWHQY-VXGBXAGGSA-N 1 0 253.346 -0.613 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCCN(C)CC(=O)OC ZINC001331932754 887052586 /nfs/dbraw/zinc/05/25/86/887052586.db2.gz ZSXOXXHGKDRRKI-LBPRGKRZSA-N 1 0 281.356 -0.695 20 30 CBEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C#N)CC1 ZINC001331946658 887055724 /nfs/dbraw/zinc/05/57/24/887055724.db2.gz BPVBUZQDFUAIMG-VIFPVBQESA-N 1 0 252.318 -0.398 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001331953129 887057284 /nfs/dbraw/zinc/05/72/84/887057284.db2.gz FPNBRTSZCGXNJT-AAEUAGOBSA-N 1 0 283.372 -0.096 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CSCC#N)C1 ZINC001331956089 887061668 /nfs/dbraw/zinc/06/16/68/887061668.db2.gz AFAPURYYAJDFNK-UWVGGRQHSA-N 1 0 284.385 -0.432 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC001331999924 887080198 /nfs/dbraw/zinc/08/01/98/887080198.db2.gz HAECEOWJVFRNJC-HBNTYKKESA-N 1 0 282.319 -0.354 20 30 CBEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 ZINC001332001866 887082260 /nfs/dbraw/zinc/08/22/60/887082260.db2.gz YFZMVDGAJSGVCQ-MNOVXSKESA-N 1 0 264.329 -0.431 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC001332014228 887083641 /nfs/dbraw/zinc/08/36/41/887083641.db2.gz JGXIVPTYNSCQIN-CHWSQXEVSA-N 1 0 292.383 -0.980 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCNC(=O)C2)C1 ZINC001332014229 887085678 /nfs/dbraw/zinc/08/56/78/887085678.db2.gz JGXIVPTYNSCQIN-OLZOCXBDSA-N 1 0 292.383 -0.980 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001332023841 887086389 /nfs/dbraw/zinc/08/63/89/887086389.db2.gz AMRHYUAQNSAKKV-MNOVXSKESA-N 1 0 274.324 -0.014 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046352 887093564 /nfs/dbraw/zinc/09/35/64/887093564.db2.gz GIIPWHVPWJQHIF-NWDGAFQWSA-N 1 0 291.351 -0.262 20 30 CBEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)[C@@H]1C ZINC001332156904 887134652 /nfs/dbraw/zinc/13/46/52/887134652.db2.gz HCJNDTLUBHIHOJ-QWRGUYRKSA-N 1 0 267.329 -0.055 20 30 CBEDRO COCC#CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001332229065 887164543 /nfs/dbraw/zinc/16/45/43/887164543.db2.gz OZHWXWBHJFRHSS-UHFFFAOYSA-N 1 0 254.330 -0.449 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001332270962 887179443 /nfs/dbraw/zinc/17/94/43/887179443.db2.gz FVWKFGMASOVGFU-RYUDHWBXSA-N 1 0 280.372 -0.187 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC001332288577 887186501 /nfs/dbraw/zinc/18/65/01/887186501.db2.gz PGESLNZMIKTWFJ-KKOKHZNYSA-N 1 0 279.340 -0.863 20 30 CBEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1nncn1C ZINC001332314887 887197103 /nfs/dbraw/zinc/19/71/03/887197103.db2.gz OOPQEJXOCNPDJJ-UHFFFAOYSA-N 1 0 297.384 -0.467 20 30 CBEDRO C(=NNC1=[NH+]CCN1)c1cn(C[C@H]2CCOC2)nn1 ZINC001332320658 887200447 /nfs/dbraw/zinc/20/04/47/887200447.db2.gz XBQZTNZOWXQMLT-SECBINFHSA-N 1 0 263.305 -0.803 20 30 CBEDRO C[C@@H]([NH2+]CC1CC(NC(=O)c2c[nH]c(C#N)c2)C1)C(N)=O ZINC001447780914 913123292 /nfs/dbraw/zinc/12/32/92/913123292.db2.gz MGZTZQXPMWVBSS-FKTRJACZSA-N 1 0 289.339 -0.142 20 30 CBEDRO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001332343084 887215131 /nfs/dbraw/zinc/21/51/31/887215131.db2.gz XNJKUXBUQLKPIV-QWRGUYRKSA-N 1 0 287.385 -0.957 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001332343082 887215287 /nfs/dbraw/zinc/21/52/87/887215287.db2.gz XNJKUXBUQLKPIV-MNOVXSKESA-N 1 0 287.385 -0.957 20 30 CBEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001332360079 887225083 /nfs/dbraw/zinc/22/50/83/887225083.db2.gz QYWGGKLHLHPXQY-CHWSQXEVSA-N 1 0 271.357 -0.093 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001332362647 887227048 /nfs/dbraw/zinc/22/70/48/887227048.db2.gz WESJLIMKJLWNGC-RYUDHWBXSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=CCn1cc(C(=O)N2CCO[C@H](C[NH3+])C2)nn1 ZINC001332451962 887289557 /nfs/dbraw/zinc/28/95/57/887289557.db2.gz UYLSBJSCBIRYKH-SECBINFHSA-N 1 0 251.290 -0.736 20 30 CBEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C1 ZINC001332462977 887300215 /nfs/dbraw/zinc/30/02/15/887300215.db2.gz SPUCAKDAGUISNT-QJPTWQEYSA-N 1 0 278.356 -0.056 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001332470879 887302801 /nfs/dbraw/zinc/30/28/01/887302801.db2.gz LHODBINFNBPELJ-SNVBAGLBSA-N 1 0 250.302 -0.315 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001332489720 887315806 /nfs/dbraw/zinc/31/58/06/887315806.db2.gz KKTNCGJOYKDNKS-VXGBXAGGSA-N 1 0 254.330 -0.545 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001332489912 887317617 /nfs/dbraw/zinc/31/76/17/887317617.db2.gz SXIBVTGSNKGWNW-GFCCVEGCSA-N 1 0 265.313 -0.351 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001332491055 887318884 /nfs/dbraw/zinc/31/88/84/887318884.db2.gz QIVPLBUHGBSHFG-NEPJUHHUSA-N 1 0 296.371 -0.823 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001332503720 887325965 /nfs/dbraw/zinc/32/59/65/887325965.db2.gz KLFSQKGAGJPJHF-CHWSQXEVSA-N 1 0 297.399 -0.469 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001332505016 887327144 /nfs/dbraw/zinc/32/71/44/887327144.db2.gz QGZXZXXXRMJNRN-NEPJUHHUSA-N 1 0 281.360 -0.176 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001332523800 887339938 /nfs/dbraw/zinc/33/99/38/887339938.db2.gz YBNOOYJECNCRHI-STQMWFEESA-N 1 0 297.399 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccc(F)cn1 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CC#CC[NH2+]C1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001333108531 887528867 /nfs/dbraw/zinc/52/88/67/887528867.db2.gz SNFVCBITGAZFAD-UHFFFAOYSA-N 1 0 262.317 -0.574 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N(C)CCS(N)(=O)=O)CC1 ZINC001333110701 887531245 /nfs/dbraw/zinc/53/12/45/887531245.db2.gz YTWFVTHKHHUXEH-UHFFFAOYSA-N 1 0 287.385 -0.922 20 30 CBEDRO COCC#CC[NH2+]C1CC(N(C)C(=O)c2cnon2)C1 ZINC001333130483 887536687 /nfs/dbraw/zinc/53/66/87/887536687.db2.gz IOEJOMIHIKMYJS-UHFFFAOYSA-N 1 0 278.312 -0.088 20 30 CBEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001333169376 887548981 /nfs/dbraw/zinc/54/89/81/887548981.db2.gz LEOMZWHYLAHBLS-RYUDHWBXSA-N 1 0 278.356 -0.041 20 30 CBEDRO CC1(C)CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@@H]1[NH3+] ZINC001333169677 887549393 /nfs/dbraw/zinc/54/93/93/887549393.db2.gz LOWRQKRKRDGNQD-TVQRCGJNSA-N 1 0 282.319 -0.354 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1COCCO1 ZINC001333207954 887561977 /nfs/dbraw/zinc/56/19/77/887561977.db2.gz ZIXMSDJABZFGHN-LBPRGKRZSA-N 1 0 270.329 -0.900 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@]1(CC)CCNC1=O ZINC001333222225 887564199 /nfs/dbraw/zinc/56/41/99/887564199.db2.gz GMKFBIJCJYMSGL-OAHLLOKOSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CCCN1CC=C(CNC(=O)CS(C)(=O)=O)CC1 ZINC001333304214 887589067 /nfs/dbraw/zinc/58/90/67/887589067.db2.gz MAMJWMDAIDPOQH-UHFFFAOYSA-N 1 0 284.381 -0.197 20 30 CBEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333359009 887607185 /nfs/dbraw/zinc/60/71/85/887607185.db2.gz CAXXFPNKCLMCSA-WUHRBBMRSA-N 1 0 295.383 -0.063 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001333407642 887625481 /nfs/dbraw/zinc/62/54/81/887625481.db2.gz ZOLVUFQOQUHNRU-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO N#Cc1ncn(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)n1 ZINC001333409030 887627927 /nfs/dbraw/zinc/62/79/27/887627927.db2.gz FHIHMRVBSVDYGL-JTQLQIEISA-N 1 0 260.301 -0.544 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001333494344 887661648 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O=C(C#CC1CC[NH2+]CC1)N1CCS(=O)(=O)CC1 ZINC001333628608 887723523 /nfs/dbraw/zinc/72/35/23/887723523.db2.gz ADXDHURNHCJLDJ-UHFFFAOYSA-N 1 0 270.354 -0.754 20 30 CBEDRO C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCS(=O)(=O)C1 ZINC001333635042 887730202 /nfs/dbraw/zinc/73/02/02/887730202.db2.gz FPLDBEDITPLCKR-LBPRGKRZSA-N 1 0 298.408 -0.118 20 30 CBEDRO C#CC[C@@H]1NC(=O)N(c2ccnn2CC[NH+](C)C)C1=O ZINC001333892757 887800075 /nfs/dbraw/zinc/80/00/75/887800075.db2.gz IDHIMQMIIJNSPW-JTQLQIEISA-N 1 0 275.312 -0.107 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001333961739 887822040 /nfs/dbraw/zinc/82/20/40/887822040.db2.gz YTGFHNYDDYTFIV-NSHDSACASA-N 1 0 283.397 -0.321 20 30 CBEDRO C#CCNC(=O)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC001333988297 887832046 /nfs/dbraw/zinc/83/20/46/887832046.db2.gz ZBHXAZVRKQYBHY-CYBMUJFWSA-N 1 0 266.341 -0.137 20 30 CBEDRO C=CC[NH+]1CCC(N2C(=O)N[C@@H](CO)C2=O)CC1 ZINC001334370305 887938344 /nfs/dbraw/zinc/93/83/44/887938344.db2.gz IAJBTPZHYIWWEA-JTQLQIEISA-N 1 0 253.302 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ZINC001482312914 917123047 /nfs/dbraw/zinc/12/30/47/917123047.db2.gz GSNHDBMUNMEQDO-GHMZBOCLSA-N 1 0 289.401 -0.487 20 30 CBEDRO C=CCCn1cc(C(=O)N(C)[C@H](C)C[NH2+]CCO)nn1 ZINC001482340352 917130637 /nfs/dbraw/zinc/13/06/37/917130637.db2.gz FMMOTIIYPPCLMA-LLVKDONJSA-N 1 0 281.360 -0.103 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001482352309 917133981 /nfs/dbraw/zinc/13/39/81/917133981.db2.gz OFSFGKHOXKVMLZ-VXGBXAGGSA-N 1 0 280.372 -0.011 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001482352306 917136498 /nfs/dbraw/zinc/13/64/98/917136498.db2.gz OFSFGKHOXKVMLZ-NEPJUHHUSA-N 1 0 280.372 -0.011 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001482374197 917138815 /nfs/dbraw/zinc/13/88/15/917138815.db2.gz LZFHYXWXJKOTDT-NEPJUHHUSA-N 1 0 280.372 -0.011 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001482373590 917141280 /nfs/dbraw/zinc/14/12/80/917141280.db2.gz NLVHKZWWHMCCKU-VHSXEESVSA-N 1 0 267.329 -0.338 20 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/nfs/dbraw/zinc/18/03/70/917180370.db2.gz QCBAIZNUTCAOLG-CYBMUJFWSA-N 1 0 295.383 -0.447 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)c1 ZINC001482672957 917200628 /nfs/dbraw/zinc/20/06/28/917200628.db2.gz SUHDCAQRCQSJJC-MNOVXSKESA-N 1 0 289.339 -0.140 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001482676011 917202370 /nfs/dbraw/zinc/20/23/70/917202370.db2.gz ILSDKPAQPANPGI-DGCLKSJQSA-N 1 0 298.408 -0.071 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)c1 ZINC001482672960 917202716 /nfs/dbraw/zinc/20/27/16/917202716.db2.gz SUHDCAQRCQSJJC-WDEREUQCSA-N 1 0 289.339 -0.140 20 30 CBEDRO C=CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001482671959 917202750 /nfs/dbraw/zinc/20/27/50/917202750.db2.gz MYVFKGUMGPRTFY-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1ncnn1 ZINC001482677202 917202815 /nfs/dbraw/zinc/20/28/15/917202815.db2.gz MXRAOHULCYSIMU-GHMZBOCLSA-N 1 0 264.333 -0.266 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(=O)NCC(F)F ZINC001482682037 917205455 /nfs/dbraw/zinc/20/54/55/917205455.db2.gz MIKPKNYZXRGVLD-NXEZZACHSA-N 1 0 287.310 -0.125 20 30 CBEDRO Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)CSCC#N ZINC001482708644 917207644 /nfs/dbraw/zinc/20/76/44/917207644.db2.gz JDKJDXTWSQFSRB-NSHDSACASA-N 1 0 298.368 -0.194 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)/C(C)=C\CC ZINC001482710921 917214814 /nfs/dbraw/zinc/21/48/14/917214814.db2.gz AUJBVQRPEMUGRS-LVRHIEOCSA-N 1 0 295.383 -0.453 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC)c1 ZINC001482713810 917219902 /nfs/dbraw/zinc/21/99/02/917219902.db2.gz AVMKEHFLRGKOMM-GFCCVEGCSA-N 1 0 264.329 -0.393 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)o1 ZINC001482725653 917230641 /nfs/dbraw/zinc/23/06/41/917230641.db2.gz LPZFDUZZTMQAMC-RISCZKNCSA-N 1 0 297.355 -0.123 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001482725434 917232488 /nfs/dbraw/zinc/23/24/88/917232488.db2.gz JIFVKPNWMZJJQV-LLVKDONJSA-N 1 0 289.763 -0.716 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1cc(OC)no1 ZINC001482734259 917241516 /nfs/dbraw/zinc/24/15/16/917241516.db2.gz QCARLTLHQXEGMD-JTQLQIEISA-N 1 0 281.312 -0.684 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482735719 917243647 /nfs/dbraw/zinc/24/36/47/917243647.db2.gz NLGMYXDPMFAZBF-VIFPVBQESA-N 1 0 290.327 -0.391 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001482735118 917244327 /nfs/dbraw/zinc/24/43/27/917244327.db2.gz JTUVISUTXVRDNE-NSHDSACASA-N 1 0 293.371 -0.263 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001482745628 917248831 /nfs/dbraw/zinc/24/88/31/917248831.db2.gz TVLJJPVTTZYMAY-GHMZBOCLSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001482755291 917249921 /nfs/dbraw/zinc/24/99/21/917249921.db2.gz DNCVIGAUPNCKQP-SNVBAGLBSA-N 1 0 250.302 -0.578 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001482755290 917251389 /nfs/dbraw/zinc/25/13/89/917251389.db2.gz DNCVIGAUPNCKQP-JTQLQIEISA-N 1 0 250.302 -0.578 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001482752714 917251691 /nfs/dbraw/zinc/25/16/91/917251691.db2.gz MDIMBCGFKWKYNC-UMVBOHGHSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)cn2ccnc12 ZINC001482755588 917252091 /nfs/dbraw/zinc/25/20/91/917252091.db2.gz PMHOMPMNCNXDBQ-LBPRGKRZSA-N 1 0 286.335 -0.044 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001482753131 917252375 /nfs/dbraw/zinc/25/23/75/917252375.db2.gz QSELUDYGDKVQAY-TYNCELHUSA-N 1 0 295.383 -0.455 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001482752617 917252432 /nfs/dbraw/zinc/25/24/32/917252432.db2.gz AYTGDFBPNZGTDK-WDEREUQCSA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001482752615 917252611 /nfs/dbraw/zinc/25/26/11/917252611.db2.gz AYTGDFBPNZGTDK-MNOVXSKESA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C ZINC001482757877 917255250 /nfs/dbraw/zinc/25/52/50/917255250.db2.gz RYPXRPYPTFFBNW-OUAUKWLOSA-N 1 0 269.345 -0.989 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC(C)=C(C)C ZINC001482757728 917257086 /nfs/dbraw/zinc/25/70/86/917257086.db2.gz PTYLPWZJJNUWCE-CYBMUJFWSA-N 1 0 295.383 -0.451 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001482761305 917257896 /nfs/dbraw/zinc/25/78/96/917257896.db2.gz SPWNPHUVKSZXBW-WYUUTHIRSA-N 1 0 254.330 -0.478 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC)CCC1 ZINC001482763796 917259414 /nfs/dbraw/zinc/25/94/14/917259414.db2.gz BJSHYMNBRWTRKC-RYUDHWBXSA-N 1 0 297.399 -0.066 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CC(C)(F)F ZINC001482764952 917263744 /nfs/dbraw/zinc/26/37/44/917263744.db2.gz ZMUHRTMJJCHXIX-JTQLQIEISA-N 1 0 278.299 -0.252 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001482769269 917267082 /nfs/dbraw/zinc/26/70/82/917267082.db2.gz CVDIWCVZTREJPK-FRRDWIJNSA-N 1 0 278.356 -0.224 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ocnc1CC ZINC001482767974 917267292 /nfs/dbraw/zinc/26/72/92/917267292.db2.gz WNVAASLDCNOHAB-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001482773083 917269112 /nfs/dbraw/zinc/26/91/12/917269112.db2.gz LVJBDRZIYXQUTK-NEPJUHHUSA-N 1 0 264.329 -0.466 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001482777338 917272676 /nfs/dbraw/zinc/27/26/76/917272676.db2.gz ACILHWBZJAPRLR-LLVKDONJSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001482777945 917275532 /nfs/dbraw/zinc/27/55/32/917275532.db2.gz XQMJWFAZWQHUFO-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001482778601 917276750 /nfs/dbraw/zinc/27/67/50/917276750.db2.gz PTOMOETZFPOZDL-ZDUSSCGKSA-N 1 0 299.415 -0.260 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001482778014 917276762 /nfs/dbraw/zinc/27/67/62/917276762.db2.gz YSTJWSHOJNIIAP-OLZOCXBDSA-N 1 0 295.383 -0.360 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1cnon1 ZINC001482779698 917277310 /nfs/dbraw/zinc/27/73/10/917277310.db2.gz OUXGXAJVVZARAQ-SECBINFHSA-N 1 0 254.290 -0.284 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001482783285 917279109 /nfs/dbraw/zinc/27/91/09/917279109.db2.gz ODEMTQOJRPJJSW-SNVBAGLBSA-N 1 0 280.328 -0.258 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCF)cn1 ZINC001482788869 917281881 /nfs/dbraw/zinc/28/18/81/917281881.db2.gz KYAMJXHFYCXEMU-LBPRGKRZSA-N 1 0 265.288 -0.287 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ncccc1OC ZINC001482789594 917281944 /nfs/dbraw/zinc/28/19/44/917281944.db2.gz VYTYRRLKWHWKEW-NSHDSACASA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC001482785743 917283591 /nfs/dbraw/zinc/28/35/91/917283591.db2.gz MHYRBTOLYHOEDZ-JTQLQIEISA-N 1 0 292.401 -0.548 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1csc2nccn12 ZINC001482792524 917286712 /nfs/dbraw/zinc/28/67/12/917286712.db2.gz ITCFMCAGWRSMNJ-LLVKDONJSA-N 1 0 292.364 -0.362 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCN1CCCC1=O ZINC001482793079 917287236 /nfs/dbraw/zinc/28/72/36/917287236.db2.gz NFONRLHAHULVSW-LLVKDONJSA-N 1 0 269.345 -0.748 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1c(C)c(C)sc1=O ZINC001482799137 917290191 /nfs/dbraw/zinc/29/01/91/917290191.db2.gz NKMLRGZXALCIRX-NSHDSACASA-N 1 0 297.380 -0.773 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482797826 917291831 /nfs/dbraw/zinc/29/18/31/917291831.db2.gz CMKTVLVPIITMJG-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001482803313 917295077 /nfs/dbraw/zinc/29/50/77/917295077.db2.gz DIPHNWPOKKVENK-ZYHUDNBSSA-N 1 0 264.329 -0.777 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CC1 ZINC001482804903 917295847 /nfs/dbraw/zinc/29/58/47/917295847.db2.gz POMJQORGNVLNLK-SNVBAGLBSA-N 1 0 296.371 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001482802978 917296235 /nfs/dbraw/zinc/29/62/35/917296235.db2.gz XXGPRUNAMASKDV-BXUZGUMPSA-N 1 0 281.356 -0.865 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001482811829 917297229 /nfs/dbraw/zinc/29/72/29/917297229.db2.gz CNSOELPBOXFQAO-RYUDHWBXSA-N 1 0 254.330 -0.091 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]Cc1ncnn1C ZINC001482818283 917301578 /nfs/dbraw/zinc/30/15/78/917301578.db2.gz MPFPOXCBKPCAOG-UWVGGRQHSA-N 1 0 264.333 -0.041 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001482829910 917305102 /nfs/dbraw/zinc/30/51/02/917305102.db2.gz ICTBTBUQAHXZOR-RYUDHWBXSA-N 1 0 293.367 -0.065 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001482830390 917306303 /nfs/dbraw/zinc/30/63/03/917306303.db2.gz REKLSRPTCLQJCY-GHMZBOCLSA-N 1 0 291.355 -0.354 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001482830391 917306552 /nfs/dbraw/zinc/30/65/52/917306552.db2.gz REKLSRPTCLQJCY-MNOVXSKESA-N 1 0 291.355 -0.354 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001482829908 917306751 /nfs/dbraw/zinc/30/67/51/917306751.db2.gz ICTBTBUQAHXZOR-NEPJUHHUSA-N 1 0 293.367 -0.065 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001482868571 917318471 /nfs/dbraw/zinc/31/84/71/917318471.db2.gz NEUHOQLSCIMMSD-NSHDSACASA-N 1 0 289.401 -0.437 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1ncoc1C ZINC001482912657 917332988 /nfs/dbraw/zinc/33/29/88/917332988.db2.gz MEJFCRJRDDUQOE-UHFFFAOYSA-N 1 0 293.327 -0.326 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnn(C)c1 ZINC001482912009 917334556 /nfs/dbraw/zinc/33/45/56/917334556.db2.gz YAAXIVMSMCQRIW-UHFFFAOYSA-N 1 0 291.355 -0.779 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)Cn1cnnn1 ZINC001482911759 917335313 /nfs/dbraw/zinc/33/53/13/917335313.db2.gz PDABGOKDJDCOIC-UHFFFAOYSA-N 1 0 250.306 -0.866 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCCCO1 ZINC001482920314 917336093 /nfs/dbraw/zinc/33/60/93/917336093.db2.gz MZNDJQPNNFKDSV-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)C[C@H]1CCNC1=O ZINC001482930040 917341082 /nfs/dbraw/zinc/34/10/82/917341082.db2.gz BSWPNRXNTXNXLA-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482968782 917350609 /nfs/dbraw/zinc/35/06/09/917350609.db2.gz XFVSDUXPDXGLOD-LLVKDONJSA-N 1 0 289.401 -0.308 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnn(C)n1 ZINC001482957001 917351226 /nfs/dbraw/zinc/35/12/26/917351226.db2.gz VYZAJSVUCMTXTM-UHFFFAOYSA-N 1 0 294.359 -0.831 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)Cn1c(C)cc(C)nc1=O ZINC001482961000 917352591 /nfs/dbraw/zinc/35/25/91/917352591.db2.gz YXTMFWNNSLCBTD-UHFFFAOYSA-N 1 0 290.367 -0.069 20 30 CBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H](C)C#N ZINC001482990870 917362842 /nfs/dbraw/zinc/36/28/42/917362842.db2.gz IYMJYCCQFXPWCJ-CFUOYWMPSA-N 1 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-0.183 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001491287884 919104911 /nfs/dbraw/zinc/10/49/11/919104911.db2.gz PSEACLHJHGJWLB-VXGBXAGGSA-N 1 0 280.372 -0.235 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001491310988 919114106 /nfs/dbraw/zinc/11/41/06/919114106.db2.gz LMTSPRHZKVTOTM-FQEAEBOJSA-N 1 0 268.357 -0.259 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccncc1 ZINC001491379439 919128201 /nfs/dbraw/zinc/12/82/01/919128201.db2.gz ODJYFSUWFRMMOA-VXGBXAGGSA-N 1 0 288.351 -0.073 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cnccn1 ZINC001491382092 919130280 /nfs/dbraw/zinc/13/02/80/919130280.db2.gz OZGXWPYIAFMUOK-GHMZBOCLSA-N 1 0 291.355 -0.125 20 30 CBEDRO C[C@H](CNC(=O)CSCC#N)[NH2+][C@H](C)C(=O)N(C)C ZINC001491398542 919137118 /nfs/dbraw/zinc/13/71/18/919137118.db2.gz IIPDWGVOBQNOGB-NXEZZACHSA-N 1 0 286.401 -0.186 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001491413669 919146373 /nfs/dbraw/zinc/14/63/73/919146373.db2.gz LYZGFMKGFHIVGH-UWVGGRQHSA-N 1 0 295.343 -0.748 20 30 CBEDRO C=CCOCC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001491415010 919146899 /nfs/dbraw/zinc/14/68/99/919146899.db2.gz OCMLKZVTUQDUSO-MNOVXSKESA-N 1 0 271.361 -0.240 20 30 CBEDRO C[C@@H](CNC(=O)C[C@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001491419553 919150838 /nfs/dbraw/zinc/15/08/38/919150838.db2.gz RIAHUMSBVZOFMR-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001491431390 919157027 /nfs/dbraw/zinc/15/70/27/919157027.db2.gz LBOXIHVGQRENDN-QWRGUYRKSA-N 1 0 291.355 -0.734 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001491442622 919165765 /nfs/dbraw/zinc/16/57/65/919165765.db2.gz UFLAYTVFZASJHN-RISCZKNCSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001491442624 919166439 /nfs/dbraw/zinc/16/64/39/919166439.db2.gz UFLAYTVFZASJHN-SMDDNHRTSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001491442619 919167243 /nfs/dbraw/zinc/16/72/43/919167243.db2.gz UFLAYTVFZASJHN-BXUZGUMPSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001491461969 919172407 /nfs/dbraw/zinc/17/24/07/919172407.db2.gz NCPYGXFEBCZWFR-LLVKDONJSA-N 1 0 274.324 -0.461 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001491466775 919173388 /nfs/dbraw/zinc/17/33/88/919173388.db2.gz RVWKOSNOJPELDP-SNVBAGLBSA-N 1 0 284.360 -0.107 20 30 CBEDRO C=CC[NH2+][C@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001491473669 919177390 /nfs/dbraw/zinc/17/73/90/919177390.db2.gz MCEJWFDGQIKCRO-SNVBAGLBSA-N 1 0 275.374 -0.698 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001491477828 919179461 /nfs/dbraw/zinc/17/94/61/919179461.db2.gz MKPWBPREKDFNHJ-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)c1cnc2n1CCOC2 ZINC001491488439 919180720 /nfs/dbraw/zinc/18/07/20/919180720.db2.gz AMQAFOJESXHQRC-SNVBAGLBSA-N 1 0 262.313 -0.246 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1ccnnc1C ZINC001491513271 919188912 /nfs/dbraw/zinc/18/89/12/919188912.db2.gz LHVTZYICIFARBR-SNVBAGLBSA-N 1 0 289.339 -0.758 20 30 CBEDRO C[C@H](CNC(=O)CCc1ccon1)[NH2+]CC(=O)NCC#N ZINC001491530766 919196618 /nfs/dbraw/zinc/19/66/18/919196618.db2.gz YQZKHWCHISCQHM-SNVBAGLBSA-N 1 0 293.327 -0.659 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)c1ccnc2c1nnn2C ZINC001491567301 919206876 /nfs/dbraw/zinc/20/68/76/919206876.db2.gz VQKBNMLRXGKKAY-SECBINFHSA-N 1 0 272.312 -0.296 20 30 CBEDRO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1ccc(C#N)cc1F ZINC001491565464 919209166 /nfs/dbraw/zinc/20/91/66/919209166.db2.gz DJCLYONDJJPEAS-MRVPVSSYSA-N 1 0 278.287 -0.223 20 30 CBEDRO C[C@H](CNC(=O)C(N)=O)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001491569468 919211057 /nfs/dbraw/zinc/21/10/57/919211057.db2.gz XQCDAGIHSNQVTP-SNVBAGLBSA-N 1 0 290.323 -0.331 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001491578483 919217714 /nfs/dbraw/zinc/21/77/14/919217714.db2.gz WDBVCJWDAKPFFN-GWCFXTLKSA-N 1 0 251.330 -0.227 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001491586468 919219059 /nfs/dbraw/zinc/21/90/59/919219059.db2.gz ZUGVZVNXVCTMGG-LOWDOPEQSA-N 1 0 295.383 -0.050 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001491590482 919220834 /nfs/dbraw/zinc/22/08/34/919220834.db2.gz PEPQUIVROWQSAK-BDAKNGLRSA-N 1 0 297.808 -0.229 20 30 CBEDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[NH2+]CC(=O)NCC#N ZINC001491585599 919221243 /nfs/dbraw/zinc/22/12/43/919221243.db2.gz QFSCFKHWIPTKPJ-QCNOEVLYSA-N 1 0 294.355 -0.712 20 30 CBEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001491605590 919223280 /nfs/dbraw/zinc/22/32/80/919223280.db2.gz ZBBCCRMUXADKRP-MNOVXSKESA-N 1 0 291.417 -0.160 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1cnon1 ZINC001491614632 919232893 /nfs/dbraw/zinc/23/28/93/919232893.db2.gz NOINJYNYDUZEPQ-SECBINFHSA-N 1 0 252.274 -0.573 20 30 CBEDRO C#CCC[NH2+][C@H](C)CNC(=O)COCc1nncn1C ZINC001491623486 919234234 /nfs/dbraw/zinc/23/42/34/919234234.db2.gz OEFHRLDJPKGBNM-LLVKDONJSA-N 1 0 279.344 -0.551 20 30 CBEDRO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001491637115 919237982 /nfs/dbraw/zinc/23/79/82/919237982.db2.gz IHTNZVVENFKNOF-NEPJUHHUSA-N 1 0 295.387 -0.938 20 30 CBEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001491666473 919248114 /nfs/dbraw/zinc/24/81/14/919248114.db2.gz ZLTCBGZONQSULZ-NSHDSACASA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001491685531 919253957 /nfs/dbraw/zinc/25/39/57/919253957.db2.gz FHFYYYTVOLMHDH-MNOVXSKESA-N 1 0 261.329 -0.432 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001491718041 919263830 /nfs/dbraw/zinc/26/38/30/919263830.db2.gz STHKAOZPTHYLRF-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001491724934 919265180 /nfs/dbraw/zinc/26/51/80/919265180.db2.gz HNOWDIXOAKKNIV-LBPRGKRZSA-N 1 0 291.355 -0.248 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001491723842 919266030 /nfs/dbraw/zinc/26/60/30/919266030.db2.gz QXDKBRJTRRWQIM-RYUDHWBXSA-N 1 0 295.383 -0.524 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001491777917 919276797 /nfs/dbraw/zinc/27/67/97/919276797.db2.gz LXGCBQDHURFCES-VHSXEESVSA-N 1 0 287.310 -0.173 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COCCC)C1 ZINC001491788802 919278815 /nfs/dbraw/zinc/27/88/15/919278815.db2.gz WMOGEZNACTZYRY-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491800194 919280748 /nfs/dbraw/zinc/28/07/48/919280748.db2.gz GKDDDDIDMPRXKT-GFCCVEGCSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001491811332 919285362 /nfs/dbraw/zinc/28/53/62/919285362.db2.gz UUKSSCOVQJSIQI-VXGBXAGGSA-N 1 0 263.341 -0.416 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001491814970 919286036 /nfs/dbraw/zinc/28/60/36/919286036.db2.gz WSMADLCHFMRXKW-SWLSCSKDSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001491814971 919286368 /nfs/dbraw/zinc/28/63/68/919286368.db2.gz WSMADLCHFMRXKW-WFASDCNBSA-N 1 0 277.368 -0.026 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001491842403 919289427 /nfs/dbraw/zinc/28/94/27/919289427.db2.gz CFFOVFMFMRFYIQ-LLVKDONJSA-N 1 0 277.328 -0.494 20 30 CBEDRO CCOCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491863386 919290557 /nfs/dbraw/zinc/29/05/57/919290557.db2.gz MKKVXHAXOHATRJ-NWDGAFQWSA-N 1 0 296.371 -0.320 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001492031682 919316078 /nfs/dbraw/zinc/31/60/78/919316078.db2.gz RFXOBMSEYDFQHO-NSHDSACASA-N 1 0 291.417 -0.062 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001491890109 919294685 /nfs/dbraw/zinc/29/46/85/919294685.db2.gz JSUNCXOEQDNBSA-NWDGAFQWSA-N 1 0 296.371 -0.559 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCCO1 ZINC001491986149 919307749 /nfs/dbraw/zinc/30/77/49/919307749.db2.gz VMKALJXLINAWKH-QWHCGFSZSA-N 1 0 284.356 -0.464 20 30 CBEDRO CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C#N ZINC001491998407 919308862 /nfs/dbraw/zinc/30/88/62/919308862.db2.gz UXGQVQYRQAPMGB-VHSXEESVSA-N 1 0 254.334 -0.233 20 30 CBEDRO C[C@H](CCNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)N1CCC1 ZINC001491995545 919310113 /nfs/dbraw/zinc/31/01/13/919310113.db2.gz HPRWRROZZNELSY-WDEREUQCSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001492022180 919314399 /nfs/dbraw/zinc/31/43/99/919314399.db2.gz OOHOTDGDYVPOEC-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)Cn1ncn(C)c1=O ZINC001492047097 919314952 /nfs/dbraw/zinc/31/49/52/919314952.db2.gz MKLHCOJIVGYDQE-NSHDSACASA-N 1 0 279.344 -0.911 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cncn1C ZINC001492053658 919316464 /nfs/dbraw/zinc/31/64/64/919316464.db2.gz 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MJXQDXFKGZDRKQ-SNVBAGLBSA-N 1 0 292.343 -0.592 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001496096480 920027506 /nfs/dbraw/zinc/02/75/06/920027506.db2.gz AOPYBPJEWPDGQV-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001496090140 920028333 /nfs/dbraw/zinc/02/83/33/920028333.db2.gz GZDVXRJBORHURR-NWDGAFQWSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001496227699 920046000 /nfs/dbraw/zinc/04/60/00/920046000.db2.gz UPXUVTAFVLAUBO-SNVBAGLBSA-N 1 0 282.344 -0.497 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001496229247 920046485 /nfs/dbraw/zinc/04/64/85/920046485.db2.gz HAIWVCGWQDZKDG-JTQLQIEISA-N 1 0 292.339 -0.441 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001496222575 920046647 /nfs/dbraw/zinc/04/66/47/920046647.db2.gz WTLQFXDTSVOUOQ-SNVBAGLBSA-N 1 0 277.390 -0.500 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CNC1=O ZINC001496225458 920046833 /nfs/dbraw/zinc/04/68/33/920046833.db2.gz IDWHXYNOYDQIBG-VIFPVBQESA-N 1 0 268.317 -0.839 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)CCC ZINC001496234389 920048442 /nfs/dbraw/zinc/04/84/42/920048442.db2.gz RBGZTFQCNOBQDL-NSHDSACASA-N 1 0 274.386 -0.119 20 30 CBEDRO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cnnn1 ZINC001496254817 920053408 /nfs/dbraw/zinc/05/34/08/920053408.db2.gz FCDQNNVRUPKGKE-NSHDSACASA-N 1 0 266.349 -0.020 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001496357101 920064044 /nfs/dbraw/zinc/06/40/44/920064044.db2.gz CYNLWKXPWOCRBA-CHWSQXEVSA-N 1 0 290.371 -0.087 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001496349426 920064077 /nfs/dbraw/zinc/06/40/77/920064077.db2.gz CAVRHLXFPSKRGX-NWDGAFQWSA-N 1 0 291.355 -0.105 20 30 CBEDRO CN(CCNC(=O)CC[NH+](C)C)C(=O)C#CC1CC1 ZINC001496512178 920079683 /nfs/dbraw/zinc/07/96/83/920079683.db2.gz XWRVPVUMYNPFCY-UHFFFAOYSA-N 1 0 265.357 -0.074 20 30 CBEDRO CC(C)[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CCS(C)(=O)=O ZINC001496532618 920081949 /nfs/dbraw/zinc/08/19/49/920081949.db2.gz BKCKFQQUDDQUSI-QWRGUYRKSA-N 1 0 289.401 -0.079 20 30 CBEDRO CC(C)[C@H](CNC(=O)[C@H](C)C#N)[NH2+]CCS(C)(=O)=O ZINC001496532617 920083529 /nfs/dbraw/zinc/08/35/29/920083529.db2.gz BKCKFQQUDDQUSI-MNOVXSKESA-N 1 0 289.401 -0.079 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)C(C)(C)C(N)=O)C(C)C ZINC001496570505 920088649 /nfs/dbraw/zinc/08/86/49/920088649.db2.gz QUAFLYROGYHUQG-JTQLQIEISA-N 1 0 253.346 -0.139 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001496598282 920095365 /nfs/dbraw/zinc/09/53/65/920095365.db2.gz KLXIYONTAVVRNW-NXEZZACHSA-N 1 0 252.318 -0.969 20 30 CBEDRO C#CCC[NH2+][C@H](CNC(=O)CCn1cnnn1)C(C)C ZINC001496616434 920096695 /nfs/dbraw/zinc/09/66/95/920096695.db2.gz KUCIHANDTMYMQP-GFCCVEGCSA-N 1 0 278.360 -0.183 20 30 CBEDRO COCC#CC[NH2+][C@H](CNC(=O)CCNC(N)=O)C(C)C ZINC001496634423 920097649 /nfs/dbraw/zinc/09/76/49/920097649.db2.gz AYGKUKYKXPYOOP-GFCCVEGCSA-N 1 0 298.387 -0.575 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001496763644 920128117 /nfs/dbraw/zinc/12/81/17/920128117.db2.gz IJZCKDYQQIANFG-UHFFFAOYSA-N 1 0 252.322 -0.210 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)C1(C(=O)NC)CC1 ZINC001496801267 920133333 /nfs/dbraw/zinc/13/33/33/920133333.db2.gz KWSAKXCJQGERRC-UHFFFAOYSA-N 1 0 265.357 -0.074 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CCCC1 ZINC001496929859 920152946 /nfs/dbraw/zinc/15/29/46/920152946.db2.gz VEHOYVPWMYNGPP-GFCCVEGCSA-N 1 0 296.371 -0.727 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001496931492 920153895 /nfs/dbraw/zinc/15/38/95/920153895.db2.gz GBBYELGZSLUSNW-ZJUUUORDSA-N 1 0 289.351 -0.508 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccccc1 ZINC001496929209 920154344 /nfs/dbraw/zinc/15/43/44/920154344.db2.gz YJIWUMQQYCQUFB-CYBMUJFWSA-N 1 0 291.351 -0.331 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001496935777 920157906 /nfs/dbraw/zinc/15/79/06/920157906.db2.gz HCHIJUQBGJKWPW-LLVKDONJSA-N 1 0 250.302 -0.876 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001496935741 920158731 /nfs/dbraw/zinc/15/87/31/920158731.db2.gz GKLZCWFBHFUAAU-LLVKDONJSA-N 1 0 252.318 -0.324 20 30 CBEDRO CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496947092 920168232 /nfs/dbraw/zinc/16/82/32/920168232.db2.gz UWZRMZTWCODXHI-VXGBXAGGSA-N 1 0 272.345 -0.872 20 30 CBEDRO CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496947090 920168665 /nfs/dbraw/zinc/16/86/65/920168665.db2.gz UWZRMZTWCODXHI-RYUDHWBXSA-N 1 0 272.345 -0.872 20 30 CBEDRO CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N)cn1 ZINC001496955366 920175791 /nfs/dbraw/zinc/17/57/91/920175791.db2.gz OTWYGBUBDGPWNY-WCQYABFASA-N 1 0 293.371 -0.328 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCOCC(F)(F)F ZINC001496955867 920176568 /nfs/dbraw/zinc/17/65/68/920176568.db2.gz VEYWBXZPIAJNGT-DTWKUNHWSA-N 1 0 297.277 -0.208 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC1CCC1 ZINC001496962258 920179202 /nfs/dbraw/zinc/17/92/02/920179202.db2.gz VIFQMQAORVCRFA-WCQYABFASA-N 1 0 295.383 -0.619 20 30 CBEDRO C/C=C(\C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496964258 920180638 /nfs/dbraw/zinc/18/06/38/920180638.db2.gz BRTVJQQKWIMTEU-QNCMIEPLSA-N 1 0 254.330 -0.331 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC1CCC1 ZINC001496962257 920181083 /nfs/dbraw/zinc/18/10/83/920181083.db2.gz VIFQMQAORVCRFA-DGCLKSJQSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1CC(OCC)C1 ZINC001496976729 920189664 /nfs/dbraw/zinc/18/96/64/920189664.db2.gz PPQYIFBDSINLKJ-CXQJBGSLSA-N 1 0 254.330 -0.499 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001496976708 920189593 /nfs/dbraw/zinc/18/95/93/920189593.db2.gz FQZDDMCVIWIVDP-QMMMGPOBSA-N 1 0 273.724 -0.752 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(Cl)n[nH]c1CC ZINC001496989365 920193364 /nfs/dbraw/zinc/19/33/64/920193364.db2.gz AXJMHYCIJAWPQP-MRVPVSSYSA-N 1 0 284.747 -0.061 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cccc2n[nH]nc21 ZINC001496985485 920194996 /nfs/dbraw/zinc/19/49/96/920194996.db2.gz RPECDGMBQCRLDT-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)nnc1C ZINC001496987429 920195167 /nfs/dbraw/zinc/19/51/67/920195167.db2.gz SHDBYAHYQICJKX-NSHDSACASA-N 1 0 262.313 -0.593 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(Cl)n[nH]c1CC ZINC001496989366 920195423 /nfs/dbraw/zinc/19/54/23/920195423.db2.gz AXJMHYCIJAWPQP-QMMMGPOBSA-N 1 0 284.747 -0.061 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001496994358 920197006 /nfs/dbraw/zinc/19/70/06/920197006.db2.gz NXXWVJLNEBBANI-QWRGUYRKSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1nc(CC)c[nH]1 ZINC001496999809 920201381 /nfs/dbraw/zinc/20/13/81/920201381.db2.gz YYTUORWNTIPPJT-LBPRGKRZSA-N 1 0 278.356 -0.395 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001497003549 920201676 /nfs/dbraw/zinc/20/16/76/920201676.db2.gz WYQXQTLXSYKPGT-GWCFXTLKSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001496999342 920202171 /nfs/dbraw/zinc/20/21/71/920202171.db2.gz VAABIOKSPAZVAC-MFKMUULPSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cncc(COC)c1 ZINC001496999590 920202474 /nfs/dbraw/zinc/20/24/74/920202474.db2.gz WAJLMXOMABUWEQ-AWEZNQCLSA-N 1 0 291.351 -0.068 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001497009152 920204162 /nfs/dbraw/zinc/20/41/62/920204162.db2.gz PECIWENKAZWNQT-SNVBAGLBSA-N 1 0 276.340 -0.398 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(CN(C)C)on1 ZINC001497005679 920206120 /nfs/dbraw/zinc/20/61/20/920206120.db2.gz NZZLDGRTRBVESK-NSHDSACASA-N 1 0 294.355 -0.560 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001497016085 920206913 /nfs/dbraw/zinc/20/69/13/920206913.db2.gz CTQWPOJSCJLCJY-SNVBAGLBSA-N 1 0 280.328 -0.868 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001497012007 920208653 /nfs/dbraw/zinc/20/86/53/920208653.db2.gz GMVUXSUNHLMRAX-NSHDSACASA-N 1 0 297.355 -0.832 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1(COC)CC1 ZINC001497017475 920209318 /nfs/dbraw/zinc/20/93/18/920209318.db2.gz JONPRIKSPYOCMX-NSHDSACASA-N 1 0 254.330 -0.497 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497041469 920222928 /nfs/dbraw/zinc/22/29/28/920222928.db2.gz RRLCUEMSPJZIIW-ZDUSSCGKSA-N 1 0 291.351 -0.190 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001497041746 920224054 /nfs/dbraw/zinc/22/40/54/920224054.db2.gz SUWKMNSNOYJTIR-VHSXEESVSA-N 1 0 295.305 -0.431 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497048725 920228866 /nfs/dbraw/zinc/22/88/66/920228866.db2.gz SDJOXWCSDYABRW-SWLSCSKDSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001497056098 920231437 /nfs/dbraw/zinc/23/14/37/920231437.db2.gz FMCGOHWSRJXDJA-KKOKHZNYSA-N 1 0 254.330 -0.193 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001497057454 920232673 /nfs/dbraw/zinc/23/26/73/920232673.db2.gz IOVWZJDOMYPCEC-LLVKDONJSA-N 1 0 267.333 -1.000 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001497057115 920232812 /nfs/dbraw/zinc/23/28/12/920232812.db2.gz GMRKYCLTOUIYIX-AXFHLTTASA-N 1 0 260.309 -0.386 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccnnc1 ZINC001497064713 920234115 /nfs/dbraw/zinc/23/41/15/920234115.db2.gz WVNFWPPWQRURLN-NSHDSACASA-N 1 0 250.302 -0.267 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001497065560 920234919 /nfs/dbraw/zinc/23/49/19/920234919.db2.gz WAEIPSGMTAGRHG-NSHDSACASA-N 1 0 285.388 -0.256 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1cn(C)nc1C ZINC001497065838 920235063 /nfs/dbraw/zinc/23/50/63/920235063.db2.gz FDCNZDFMCZJKNZ-CQSZACIVSA-N 1 0 292.383 -0.249 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C)nc1OC ZINC001497069580 920238578 /nfs/dbraw/zinc/23/85/78/920238578.db2.gz YEOBXPKBTDQVIF-LLVKDONJSA-N 1 0 277.324 -0.288 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)nc1C ZINC001497076257 920238869 /nfs/dbraw/zinc/23/88/69/920238869.db2.gz NAVJEOJTZJCYOS-NSHDSACASA-N 1 0 264.329 -0.040 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001497069273 920241076 /nfs/dbraw/zinc/24/10/76/920241076.db2.gz AHMMXCNCFIZDBT-AVGNSLFASA-N 1 0 266.341 -0.333 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CCC)nn1 ZINC001497068713 920241302 /nfs/dbraw/zinc/24/13/02/920241302.db2.gz QXCCGDQZIPQTMU-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001497082858 920243135 /nfs/dbraw/zinc/24/31/35/920243135.db2.gz RHONZZLDUNSRIT-JSGCOSHPSA-N 1 0 292.383 -0.311 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1OCC ZINC001497104819 920248294 /nfs/dbraw/zinc/24/82/94/920248294.db2.gz RNKFDIMJHJAIHH-LLVKDONJSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001497103995 920248565 /nfs/dbraw/zinc/24/85/65/920248565.db2.gz KTAUIJOJKPZODA-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccnc1OCC ZINC001497104821 920250222 /nfs/dbraw/zinc/25/02/22/920250222.db2.gz RNKFDIMJHJAIHH-NSHDSACASA-N 1 0 277.324 -0.206 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001497109022 920250513 /nfs/dbraw/zinc/25/05/13/920250513.db2.gz DCYVYNCKJSJVOU-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001497117176 920251742 /nfs/dbraw/zinc/25/17/42/920251742.db2.gz IIVDUFGKUNQVHX-YUTCNCBUSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)OC ZINC001497117958 920251851 /nfs/dbraw/zinc/25/18/51/920251851.db2.gz LKJVDUWROSWWKH-LSDHHAIUSA-N 1 0 290.363 -0.056 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001497116646 920253527 /nfs/dbraw/zinc/25/35/27/920253527.db2.gz 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ZINC001497332029 920284472 /nfs/dbraw/zinc/28/44/72/920284472.db2.gz OHAIYVWXMDKHGF-SNVBAGLBSA-N 1 0 260.359 -0.461 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cccnc1C(N)=O ZINC001497334363 920285100 /nfs/dbraw/zinc/28/51/00/920285100.db2.gz XWGWTUUJPQASFI-SNVBAGLBSA-N 1 0 274.324 -0.088 20 30 CBEDRO C[C@@H](CCNCC#N)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497323869 920286535 /nfs/dbraw/zinc/28/65/35/920286535.db2.gz QZDYRZHAYJGPOU-STQMWFEESA-N 1 0 282.388 -0.037 20 30 CBEDRO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CSCC#N ZINC001497352641 920287950 /nfs/dbraw/zinc/28/79/50/920287950.db2.gz VJDQEFXCEOJPPF-JTQLQIEISA-N 1 0 286.401 -0.184 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)[C@@H](C)C#N ZINC001497361852 920292083 /nfs/dbraw/zinc/29/20/83/920292083.db2.gz KCLWBCUXDTTYJF-VHSXEESVSA-N 1 0 254.334 -0.281 20 30 CBEDRO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@H](C)C#N ZINC001497361853 920295540 /nfs/dbraw/zinc/29/55/40/920295540.db2.gz KCLWBCUXDTTYJF-ZJUUUORDSA-N 1 0 254.334 -0.281 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1ccns1 ZINC001497397392 920302999 /nfs/dbraw/zinc/30/29/99/920302999.db2.gz GIVSMHYTYQXPHW-UHFFFAOYSA-N 1 0 294.380 -0.056 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001497393896 920303543 /nfs/dbraw/zinc/30/35/43/920303543.db2.gz LZDACASMTVIEAB-CHWSQXEVSA-N 1 0 297.399 -0.061 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccc[nH]1 ZINC001497523324 920320779 /nfs/dbraw/zinc/32/07/79/920320779.db2.gz QBHYOWANGGYHHJ-UPHRSURJSA-N 1 0 275.312 -0.470 20 30 CBEDRO C[C@H](O)C[NH2+]C/C=C\CNC(=O)CSCC#N ZINC001497533476 920322072 /nfs/dbraw/zinc/32/20/72/920322072.db2.gz FEPFPYCYUJKAQF-ZMWSMAPVSA-N 1 0 257.359 -0.114 20 30 CBEDRO C=CCCC(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001497540274 920327512 /nfs/dbraw/zinc/32/75/12/920327512.db2.gz IUXHCDWKYBBMLW-WWQCOOJYSA-N 1 0 282.344 -0.202 20 30 CBEDRO N#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001497562854 920334653 /nfs/dbraw/zinc/33/46/53/920334653.db2.gz NCINUHOETZRZCI-BVBSBALXSA-N 1 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DXWFYIUDGSJQPO-ARJAWSKDSA-N 1 0 270.296 -0.367 20 30 CBEDRO N#Cc1cc(C[NH2+]C/C=C\CNC(=O)C(N)=O)ccc1F ZINC001497667328 920362847 /nfs/dbraw/zinc/36/28/47/920362847.db2.gz DBOMFRUBAUSYCW-UPHRSURJSA-N 1 0 290.298 -0.055 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)Cc1cncn1C ZINC001497732063 920375050 /nfs/dbraw/zinc/37/50/50/920375050.db2.gz QKFQZEVJCCFVFE-ARJAWSKDSA-N 1 0 290.367 -0.126 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)CN1CC(=O)N(C)C1=O ZINC001497730230 920377875 /nfs/dbraw/zinc/37/78/75/920377875.db2.gz JVRANWHHFDKFQG-WAYWQWQTSA-N 1 0 294.355 -0.282 20 30 CBEDRO C=CC[NH2+]C/C=C/CNC(=O)CCn1cnnn1 ZINC001497715615 920378394 /nfs/dbraw/zinc/37/83/94/920378394.db2.gz VINPGLGPZIAALV-ONEGZZNKSA-N 1 0 250.306 -0.489 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC1 ZINC001497780859 920379800 /nfs/dbraw/zinc/37/98/00/920379800.db2.gz WAEGQLOUWCYSLX-ZJUUUORDSA-N 1 0 251.330 -0.371 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCCO1 ZINC001497791917 920385706 /nfs/dbraw/zinc/38/57/06/920385706.db2.gz OJVHFRFIXNUOLI-OLZOCXBDSA-N 1 0 295.383 -0.211 20 30 CBEDRO C=CCCC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497793902 920387966 /nfs/dbraw/zinc/38/79/66/920387966.db2.gz CLDYTFXQHJADKZ-NXEZZACHSA-N 1 0 267.329 -0.148 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001497798006 920389146 /nfs/dbraw/zinc/38/91/46/920389146.db2.gz PGBNFNFJBQNOFG-NXEZZACHSA-N 1 0 266.345 -0.233 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnccc1C ZINC001497799356 920390003 /nfs/dbraw/zinc/39/00/03/920390003.db2.gz XUJBNRMHMLBUES-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@@H](C)C#N ZINC001497797808 920391441 /nfs/dbraw/zinc/39/14/41/920391441.db2.gz JFRCHGLQIKOWHB-WDEREUQCSA-N 1 0 296.371 -0.464 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O ZINC001497815598 920401002 /nfs/dbraw/zinc/40/10/02/920401002.db2.gz CCLMNGSBECPKMV-GHMZBOCLSA-N 1 0 290.385 -0.836 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001497807770 920401237 /nfs/dbraw/zinc/40/12/37/920401237.db2.gz BQGYDAUSKGJONL-SNVBAGLBSA-N 1 0 289.339 -0.173 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001497822685 920404243 /nfs/dbraw/zinc/40/42/43/920404243.db2.gz NGSFFBSFICFWSJ-GHMZBOCLSA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001497840092 920407283 /nfs/dbraw/zinc/40/72/83/920407283.db2.gz HWXMWAREHNBJQK-SNVBAGLBSA-N 1 0 260.359 -0.461 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001497832420 920408101 /nfs/dbraw/zinc/40/81/01/920408101.db2.gz PMNQXGSBZURPRM-SNVBAGLBSA-N 1 0 278.312 -0.460 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1ccn(CCOC)n1 ZINC001497852250 920411296 /nfs/dbraw/zinc/41/12/96/920411296.db2.gz BPTBCQAJFPNUTR-LLVKDONJSA-N 1 0 264.329 -0.129 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](CCC)S(N)(=O)=O ZINC001497862828 920411389 /nfs/dbraw/zinc/41/13/89/920411389.db2.gz 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C[NH+](C)CC(=O)N1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590152776 355074646 /nfs/dbraw/zinc/07/46/46/355074646.db2.gz AIHYCJLRGRDYHH-UHFFFAOYSA-N 1 0 278.356 -0.087 20 30 CBEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000588019915 355054963 /nfs/dbraw/zinc/05/49/63/355054963.db2.gz KJSYRIXLTGYUKA-SNVBAGLBSA-N 1 0 262.317 -0.250 20 30 CBEDRO N#CCNC(=O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000588142385 355056510 /nfs/dbraw/zinc/05/65/10/355056510.db2.gz RGRCVKBRNSPYJE-NSHDSACASA-N 1 0 279.344 -0.590 20 30 CBEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC(=O)NCC#N ZINC000588746594 355060337 /nfs/dbraw/zinc/06/03/37/355060337.db2.gz YULHQMIXKQPBFU-LLVKDONJSA-N 1 0 281.360 -0.200 20 30 CBEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(C#N)n1 ZINC000588814217 355061258 /nfs/dbraw/zinc/06/12/58/355061258.db2.gz UCJVHBKXFZDYGE-NXEZZACHSA-N 1 0 262.317 -0.251 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C)CC1 ZINC000591723352 355111417 /nfs/dbraw/zinc/11/14/17/355111417.db2.gz WIKMGHIRKRHWEB-ZDUSSCGKSA-N 1 0 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BTVDKNXTSCNXSA-RKDXNWHRSA-N 1 0 254.334 -0.286 20 30 CBEDRO C[C@@H]1CN(CC(=O)N2CCNC2=O)C[C@H](C)N1CC#N ZINC000602856201 355676435 /nfs/dbraw/zinc/67/64/35/355676435.db2.gz JGWOIVOGVWGTHR-PHIMTYICSA-N 1 0 279.344 -0.544 20 30 CBEDRO COC(=O)[C@](C)(O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853681 355676904 /nfs/dbraw/zinc/67/69/04/355676904.db2.gz KXYFXWBTHMBMPO-GMXVVIOVSA-N 1 0 269.345 -0.171 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000602875062 355679154 /nfs/dbraw/zinc/67/91/54/355679154.db2.gz JRMXMMSNFHBWJV-QJPTWQEYSA-N 1 0 279.344 -0.204 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889254 355680656 /nfs/dbraw/zinc/68/06/56/355680656.db2.gz CADQLPZBROOIJT-CQSZACIVSA-N 1 0 298.387 -0.613 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602891401 355681213 /nfs/dbraw/zinc/68/12/13/355681213.db2.gz MHOLSDRJUCBLKR-YPMHNXCESA-N 1 0 281.356 -0.074 20 30 CBEDRO Cc1nn(CC(=O)N(CCC#N)CCC[NH+](C)C)c(=O)o1 ZINC000602926767 355684699 /nfs/dbraw/zinc/68/46/99/355684699.db2.gz XNIMYMPLYYHDHB-UHFFFAOYSA-N 1 0 295.343 -0.161 20 30 CBEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CO)COC ZINC000602930681 355684710 /nfs/dbraw/zinc/68/47/10/355684710.db2.gz BFJCODWWLXNDLG-AAEUAGOBSA-N 1 0 271.361 -0.018 20 30 CBEDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000611242052 355799305 /nfs/dbraw/zinc/79/93/05/355799305.db2.gz UQXFWHNXWSKRON-UHFFFAOYSA-N 1 0 288.355 -0.051 20 30 CBEDRO C=C[C@H](O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611975126 355817766 /nfs/dbraw/zinc/81/77/66/355817766.db2.gz WHOWMQUWXBPZMH-LBPRGKRZSA-N 1 0 255.362 -0.325 20 30 CBEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)CO)cc1 ZINC000611995584 355819333 /nfs/dbraw/zinc/81/93/33/355819333.db2.gz YMPGJZRFMNYUHZ-QWHCGFSZSA-N 1 0 280.324 -0.565 20 30 CBEDRO C=CCNC(=O)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980851 355858642 /nfs/dbraw/zinc/85/86/42/355858642.db2.gz WKBZNNGTCICKRI-SNVBAGLBSA-N 1 0 266.345 -0.270 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000613522676 355893467 /nfs/dbraw/zinc/89/34/67/355893467.db2.gz NOZBAIKCASJRQM-GXTWGEPZSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H](CO)C[NH+](C)C)nn1 ZINC000614859291 355995140 /nfs/dbraw/zinc/99/51/40/355995140.db2.gz XCRYXZIDHKXFIB-VIFPVBQESA-N 1 0 253.306 -0.884 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](CO)C[NH+](C)C)nn1 ZINC000614859290 355995447 /nfs/dbraw/zinc/99/54/47/355995447.db2.gz XCRYXZIDHKXFIB-SECBINFHSA-N 1 0 253.306 -0.884 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)nn1 ZINC000614514386 355967942 /nfs/dbraw/zinc/96/79/42/355967942.db2.gz NHXLNEKGPZLQTF-GFCCVEGCSA-N 1 0 290.371 -0.416 20 30 CBEDRO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@](F)(C#N)C2)CC1=O ZINC000615825572 356054157 /nfs/dbraw/zinc/05/41/57/356054157.db2.gz ROWNUOGKTZBWHV-BXUZGUMPSA-N 1 0 296.346 -0.139 20 30 CBEDRO C=C[C@H](O)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615264460 356017623 /nfs/dbraw/zinc/01/76/23/356017623.db2.gz FMJLTZJXBBUTON-WOPDTQHZSA-N 1 0 254.330 -0.145 20 30 CBEDRO C=C[C@H](O)C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000615347330 356021825 /nfs/dbraw/zinc/02/18/25/356021825.db2.gz APWMEBBTTQLBFN-SDDRHHMPSA-N 1 0 254.330 -0.145 20 30 CBEDRO C=C[C@](C)(O)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000616478166 356093516 /nfs/dbraw/zinc/09/35/16/356093516.db2.gz MAQRRXMBJUHLCX-MFKMUULPSA-N 1 0 269.345 -0.498 20 30 CBEDRO C=CCOC[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)OC ZINC000619544197 356218236 /nfs/dbraw/zinc/21/82/36/356218236.db2.gz JGKJIFHXHIDPPG-UWVGGRQHSA-N 1 0 258.318 -0.203 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620477518 356243831 /nfs/dbraw/zinc/24/38/31/356243831.db2.gz JQEWWPLDLNLKFE-TZMCWYRMSA-N 1 0 268.357 -0.019 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622029162 356301247 /nfs/dbraw/zinc/30/12/47/356301247.db2.gz BAFRQQWXBLDDEW-DOMZBBRYSA-N 1 0 295.383 -0.013 20 30 CBEDRO C=CC[C@H](CO)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627149627 356589617 /nfs/dbraw/zinc/58/96/17/356589617.db2.gz KBSZKTBEMQBVBW-SNVBAGLBSA-N 1 0 257.334 -0.270 20 30 CBEDRO C=CCn1cc(CNC(=O)N(CC)CC[NH3+])nn1 ZINC000627104516 356584583 /nfs/dbraw/zinc/58/45/83/356584583.db2.gz HHIDSNSPTLKSHG-UHFFFAOYSA-N 1 0 252.322 -0.046 20 30 CBEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187511 356598395 /nfs/dbraw/zinc/59/83/95/356598395.db2.gz DUPAVCNCLFOXBH-WDEREUQCSA-N 1 0 257.334 -0.541 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627290558 356621066 /nfs/dbraw/zinc/62/10/66/356621066.db2.gz UAPHYCYHQOUACU-UTUOFQBUSA-N 1 0 281.356 -0.438 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627421495 356643634 /nfs/dbraw/zinc/64/36/34/356643634.db2.gz LIZQOJYPDQJIFG-VOAKCMCISA-N 1 0 295.383 -0.050 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627427617 356645599 /nfs/dbraw/zinc/64/55/99/356645599.db2.gz JXSCHYJAPKYKIR-RYUDHWBXSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCCN(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475724 356653110 /nfs/dbraw/zinc/65/31/10/356653110.db2.gz SWAAYFZEVOJAAH-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627479428 356653849 /nfs/dbraw/zinc/65/38/49/356653849.db2.gz BRLLOCYOYMYIIX-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627500918 356658134 /nfs/dbraw/zinc/65/81/34/356658134.db2.gz RAVRQLGAZFHGJM-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCN(CC=C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629783825 356792747 /nfs/dbraw/zinc/79/27/47/356792747.db2.gz HRLSRWYATZKDJS-UHFFFAOYSA-N 1 0 269.345 -0.379 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917343 356809338 /nfs/dbraw/zinc/80/93/38/356809338.db2.gz VUVCUFWNDNWMCX-TUAOUCFPSA-N 1 0 254.330 -0.240 20 30 CBEDRO N#Cc1ccncc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516089051 283226452 /nfs/dbraw/zinc/22/64/52/283226452.db2.gz NQYDUKOLXIFQFS-WDEREUQCSA-N 1 0 257.297 -0.299 20 30 CBEDRO C=CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000630343234 356835629 /nfs/dbraw/zinc/83/56/29/356835629.db2.gz HANFBJORCCUPRI-LBPRGKRZSA-N 1 0 271.361 -0.055 20 30 CBEDRO C=CCN([C@H](C)COC)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631949480 356932040 /nfs/dbraw/zinc/93/20/40/356932040.db2.gz HOXOZHBUCHQNJK-NEPJUHHUSA-N 1 0 292.401 -0.173 20 30 CBEDRO C=CCCCS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350255 356975417 /nfs/dbraw/zinc/97/54/17/356975417.db2.gz FBDCJZQOGNZELX-QWRGUYRKSA-N 1 0 262.375 -0.111 20 30 CBEDRO C=C[C@H](CO)NS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632573057 357004352 /nfs/dbraw/zinc/00/43/52/357004352.db2.gz PGEFRZIAWSUHGP-GFCCVEGCSA-N 1 0 291.417 -0.910 20 30 CBEDRO C=C(C)COCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636931376 357312604 /nfs/dbraw/zinc/31/26/04/357312604.db2.gz QNFYOKJDYFPWLL-GFCCVEGCSA-N 1 0 271.361 -0.055 20 30 CBEDRO C=CCn1cc(C(=O)NCCOCC[NH2+]C)nn1 ZINC000638577360 357497254 /nfs/dbraw/zinc/49/72/54/357497254.db2.gz XRTIQZONWJKDSO-UHFFFAOYSA-N 1 0 253.306 -0.570 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H]2COCC[NH2+]2)nn1 ZINC000638613937 357506700 /nfs/dbraw/zinc/50/67/00/357506700.db2.gz NATYOASXCCMBEM-VIFPVBQESA-N 1 0 251.290 -0.818 20 30 CBEDRO C=CCCn1cc(C(=O)NCCOCCC[NH3+])nn1 ZINC000638662167 357517260 /nfs/dbraw/zinc/51/72/60/357517260.db2.gz NGTNMEGHSQRHDT-UHFFFAOYSA-N 1 0 267.333 -0.051 20 30 CBEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)C[C@@]2(C)CO)C1=O ZINC000639848793 357606445 /nfs/dbraw/zinc/60/64/45/357606445.db2.gz IYBFVIIXOQIMFP-MDZLAQPJSA-N 1 0 254.330 -0.409 20 30 CBEDRO C=CCN(CC=C)C(=O)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640791345 357664625 /nfs/dbraw/zinc/66/46/25/357664625.db2.gz BSRIIQNRZCFQRH-ZDUSSCGKSA-N 1 0 293.371 -0.269 20 30 CBEDRO C=CCNC(=O)[C@@H](C)n1cc(CN(C)CCC[NH3+])nn1 ZINC000640883324 357668954 /nfs/dbraw/zinc/66/89/54/357668954.db2.gz GDJFAVVMIZFZDZ-LLVKDONJSA-N 1 0 280.376 -0.078 20 30 CBEDRO C=C(C)[C@H](CO)n1cc(CN2CC[NH2+]CC2)nn1 ZINC000641083919 357674149 /nfs/dbraw/zinc/67/41/49/357674149.db2.gz FDXXVJPQDOTJJT-LBPRGKRZSA-N 1 0 251.334 -0.207 20 30 CBEDRO C[NH+](C)CCn1nccc1NC(=O)NCC#CCO ZINC000640172624 357639329 /nfs/dbraw/zinc/63/93/29/357639329.db2.gz HDZFTPVBIKVEEO-UHFFFAOYSA-N 1 0 265.317 -0.438 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642073632 357750041 /nfs/dbraw/zinc/75/00/41/357750041.db2.gz RLJSFRNSBCZVHZ-AAEUAGOBSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@@H](CO)[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000643379386 357780945 /nfs/dbraw/zinc/78/09/45/357780945.db2.gz HPYFWJLDPRJLLD-LLVKDONJSA-N 1 0 277.390 -0.558 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH]c(C#N)c1 ZINC000181363134 189295015 /nfs/dbraw/zinc/29/50/15/189295015.db2.gz YDMSDESZMZVCFH-GFCCVEGCSA-N 1 0 250.302 -0.071 20 30 CBEDRO COC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424183333 284134196 /nfs/dbraw/zinc/13/41/96/284134196.db2.gz VJNVYQNWUZBSSX-UWVGGRQHSA-N 1 0 269.301 -0.592 20 30 CBEDRO CCn1cc(C#N)c(=O)n(C[C@@H](C)[NH+](C)C)c1=O ZINC000330882243 203349195 /nfs/dbraw/zinc/34/91/95/203349195.db2.gz OCRSJRYZWQYHEX-SECBINFHSA-N 1 0 250.302 -0.148 20 30 CBEDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000344713739 217286540 /nfs/dbraw/zinc/28/65/40/217286540.db2.gz WQDNAVGUXLNZNL-LLVKDONJSA-N 1 0 285.325 -0.504 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CSC(=O)N1 ZINC000328200371 372972534 /nfs/dbraw/zinc/97/25/34/372972534.db2.gz SRNAJPGGTVMWCM-SECBINFHSA-N 1 0 255.343 -0.117 20 30 CBEDRO C#CC[N@H+](C)CCCNS(=O)(=O)N1CCOCC1 ZINC000328240714 372972912 /nfs/dbraw/zinc/97/29/12/372972912.db2.gz HIRSAFHZFIBRJY-UHFFFAOYSA-N 1 0 275.374 -0.892 20 30 CBEDRO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000330406075 372984203 /nfs/dbraw/zinc/98/42/03/372984203.db2.gz IAZXYIBEROHMGK-VHSXEESVSA-N 1 0 273.333 -0.492 20 30 CBEDRO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000330556168 372985833 /nfs/dbraw/zinc/98/58/33/372985833.db2.gz FPVMNIBWIJPSFQ-GWCFXTLKSA-N 1 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KAVBKWXKKJPRJS-LBPRGKRZSA-N 1 0 282.388 -0.617 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000054340797 220194921 /nfs/dbraw/zinc/19/49/21/220194921.db2.gz SQVVHFFKEVYFSR-LLVKDONJSA-N 1 0 268.361 -0.972 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105820926 220201282 /nfs/dbraw/zinc/20/12/82/220201282.db2.gz LHEQZMMTZWFDQB-VXGBXAGGSA-N 1 0 298.387 -0.615 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105872026 220202191 /nfs/dbraw/zinc/20/21/91/220202191.db2.gz HDZXAUGCFQIGQN-NXEZZACHSA-N 1 0 292.343 -0.417 20 30 CBEDRO C[NH+](C)CCN1C[C@@H](C(=O)NC2(C#N)CCC2)CC1=O ZINC000077983834 220197349 /nfs/dbraw/zinc/19/73/49/220197349.db2.gz HDEHOYVQGFSQGG-NSHDSACASA-N 1 0 278.356 -0.041 20 30 CBEDRO C=CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000111260365 220202803 /nfs/dbraw/zinc/20/28/03/220202803.db2.gz DJVBASXNHGYARX-UHFFFAOYSA-N 1 0 251.330 -0.157 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000110044910 220203628 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N#Cc1ncn(CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000529327305 374002994 /nfs/dbraw/zinc/00/29/94/374002994.db2.gz QIGDZARLUKZERP-SNVBAGLBSA-N 1 0 289.343 -0.266 20 30 CBEDRO C#CCNC(=[NH+]CC)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261764776 220243975 /nfs/dbraw/zinc/24/39/75/220243975.db2.gz OQKWVIXJHWOOMO-UHFFFAOYSA-N 1 0 279.388 -0.533 20 30 CBEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261656631 220244114 /nfs/dbraw/zinc/24/41/14/220244114.db2.gz ANEAGJQWQMBDKV-LLVKDONJSA-N 1 0 263.345 -0.331 20 30 CBEDRO CN1CC[NH+]=C1NCCc1ccc(S(N)(=O)=O)cc1 ZINC000261590809 220244436 /nfs/dbraw/zinc/24/44/36/220244436.db2.gz LMRQDEWLAOJIQN-UHFFFAOYSA-N 1 0 282.369 -0.233 20 30 CBEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC1CC1 ZINC000261797168 220244442 /nfs/dbraw/zinc/24/44/42/220244442.db2.gz IOZZKNPPRHEYBD-UHFFFAOYSA-N 1 0 288.417 -0.015 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261636988 220244491 /nfs/dbraw/zinc/24/44/91/220244491.db2.gz WOJHIRNBDUHQNR-MNOVXSKESA-N 1 0 266.345 -0.318 20 30 CBEDRO C[NH+]=C(NCCO)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261786695 220244674 /nfs/dbraw/zinc/24/46/74/220244674.db2.gz PXADLDQLPSTIHJ-LLVKDONJSA-N 1 0 267.333 -0.639 20 30 CBEDRO [NH2+]=C(NCC1(OCCO)CCOCC1)N1CCOCC1 ZINC000261715845 220244690 /nfs/dbraw/zinc/24/46/90/220244690.db2.gz MYLIEADXGPDFTC-UHFFFAOYSA-N 1 0 287.360 -0.809 20 30 CBEDRO C[C@@H]1C[NH+]=C(NCCc2ccc(S(N)(=O)=O)cc2)N1 ZINC000261624112 220244764 /nfs/dbraw/zinc/24/47/64/220244764.db2.gz UZIMFNFNZBROCC-SECBINFHSA-N 1 0 282.369 -0.186 20 30 CBEDRO N#CCNC(=O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528638876 373972522 /nfs/dbraw/zinc/97/25/22/373972522.db2.gz JICMWBFQKPYUTK-GFCCVEGCSA-N 1 0 281.356 -0.120 20 30 CBEDRO C[NH+]=C(NCCn1ccnc1)N1CCO[C@H](COC)C1 ZINC000261914562 220246616 /nfs/dbraw/zinc/24/66/16/220246616.db2.gz JPSFKOLRMZFJFE-LBPRGKRZSA-N 1 0 281.360 -0.194 20 30 CBEDRO CN(C)C(=[NH+]C[C@@H]1CCN(S(C)(=O)=O)C1)N(C)C ZINC000261853594 220245740 /nfs/dbraw/zinc/24/57/40/220245740.db2.gz MQVNSGDIKPGTSY-JTQLQIEISA-N 1 0 276.406 -0.253 20 30 CBEDRO C#CCCNC(N[C@H]1CCc2nc(COC)nn2C1)=[NH+]C ZINC000261957291 220246945 /nfs/dbraw/zinc/24/69/45/220246945.db2.gz JDXXSUROKSYTHX-NSHDSACASA-N 1 0 290.371 -0.072 20 30 CBEDRO CN(C(=[NH2+])NCCN1CCCS1(=O)=O)C1CC1 ZINC000262252099 220247435 /nfs/dbraw/zinc/24/74/35/220247435.db2.gz PSLDCXJNRCSGND-UHFFFAOYSA-N 1 0 260.363 -0.569 20 30 CBEDRO COCCNC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262246517 220247981 /nfs/dbraw/zinc/24/79/81/220247981.db2.gz OXLHLDLLWPTHIC-SECBINFHSA-N 1 0 263.363 -0.496 20 30 CBEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])Nc1ccccn1 ZINC000262256072 220248241 /nfs/dbraw/zinc/24/82/41/220248241.db2.gz CTEKVLGKTXLQOQ-UHFFFAOYSA-N 1 0 271.346 -0.300 20 30 CBEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262335086 220249361 /nfs/dbraw/zinc/24/93/61/220249361.db2.gz ZDMDRPPILKKOFQ-SNVBAGLBSA-N 1 0 277.390 -0.155 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)OCCO)CCO1 ZINC000262309497 220249702 /nfs/dbraw/zinc/24/97/02/220249702.db2.gz NJWKAMVGKGXCGQ-SNVBAGLBSA-N 1 0 259.350 -0.191 20 30 CBEDRO C[NH+]=C(NCc1c[nH]nc1C)NC[C@H](O)c1cnn(C)c1 ZINC000262314070 220249845 /nfs/dbraw/zinc/24/98/45/220249845.db2.gz BVXOLCYXFZERLS-LBPRGKRZSA-N 1 0 291.359 -0.150 20 30 CBEDRO COCCNC(=O)CNC(=[NH2+])N1CCSCC1 ZINC000262277454 220249878 /nfs/dbraw/zinc/24/98/78/220249878.db2.gz LFZQUACXAHDHRX-UHFFFAOYSA-N 1 0 260.363 -0.888 20 30 CBEDRO C[C@H](O)[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C1 ZINC000262313296 220249950 /nfs/dbraw/zinc/24/99/50/220249950.db2.gz QEJOJOXFLDLHIM-WDEREUQCSA-N 1 0 282.388 -0.115 20 30 CBEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262335082 220249991 /nfs/dbraw/zinc/24/99/91/220249991.db2.gz ZDMDRPPILKKOFQ-JTQLQIEISA-N 1 0 277.390 -0.155 20 30 CBEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H](COC)C1 ZINC000262454689 220251028 /nfs/dbraw/zinc/25/10/28/220251028.db2.gz KTMITNTWMBGIAN-SNVBAGLBSA-N 1 0 292.405 -0.921 20 30 CBEDRO CCNC(=[NH2+])NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 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C[NH+]=C(NCCN1C(=O)CNC1=O)NCc1ccco1 ZINC000262515925 220252700 /nfs/dbraw/zinc/25/27/00/220252700.db2.gz COXRRIQFAYTWDH-UHFFFAOYSA-N 1 0 279.300 -0.504 20 30 CBEDRO NC(=O)c1coc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000262490717 220252968 /nfs/dbraw/zinc/25/29/68/220252968.db2.gz XHEWXIGZDKBHJT-UHFFFAOYSA-N 1 0 252.274 -0.475 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@]2(O)CCSC2)CCO1 ZINC000262500905 220253066 /nfs/dbraw/zinc/25/30/66/220253066.db2.gz YGXKZNWMRRURGL-KOLCDFICSA-N 1 0 259.375 -0.110 20 30 CBEDRO CN(C)C(=[NH+]CCNC(=O)c1ccn[nH]1)N(C)C ZINC000262573686 220253346 /nfs/dbraw/zinc/25/33/46/220253346.db2.gz NORKTMYQQTXXFL-UHFFFAOYSA-N 1 0 252.322 -0.381 20 30 CBEDRO CN1CC[NH+]=C1NC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000262625688 220253351 /nfs/dbraw/zinc/25/33/51/220253351.db2.gz DGTJRYQPASUCLD-GHMZBOCLSA-N 1 0 288.417 -0.015 20 30 CBEDRO C[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1COCCO1 ZINC000262590677 220253495 /nfs/dbraw/zinc/25/34/95/220253495.db2.gz UTQVPYXHLONJJE-QWRGUYRKSA-N 1 0 257.334 -0.254 20 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283.372 -0.191 20 30 CBEDRO C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568372484 334820104 /nfs/dbraw/zinc/82/01/04/334820104.db2.gz DGFQPECTLXMJSX-NWDGAFQWSA-N 1 0 282.388 -0.441 20 30 CBEDRO CC(C)C(=O)NCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000568621643 334832946 /nfs/dbraw/zinc/83/29/46/334832946.db2.gz ZLYSXPDREMPUEW-LBPRGKRZSA-N 1 0 270.377 -0.445 20 30 CBEDRO Cc1nnc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C#N)c1C ZINC000576292622 335185324 /nfs/dbraw/zinc/18/53/24/335185324.db2.gz SLGCEFWKONUHTA-CMPLNLGQSA-N 1 0 286.339 -0.287 20 30 CBEDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ncncc1C#N ZINC000576819541 335251151 /nfs/dbraw/zinc/25/11/51/335251151.db2.gz KHMXMRRUHIKDKH-LLVKDONJSA-N 1 0 260.345 -0.182 20 30 CBEDRO N#Cc1ncn(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000576883832 335260351 /nfs/dbraw/zinc/26/03/51/335260351.db2.gz WHJFZEIMYNUCED-HBNTYKKESA-N 1 0 274.328 -0.264 20 30 CBEDRO COC(=O)CN(CC#N)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000576884946 335260472 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CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001028774645 799168364 /nfs/dbraw/zinc/16/83/64/799168364.db2.gz YMQQCJCTYZCADG-WDEREUQCSA-N 1 0 264.329 -0.871 20 30 CBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001028776354 799169256 /nfs/dbraw/zinc/16/92/56/799169256.db2.gz LZPBTEGAEUMBGC-SNVBAGLBSA-N 1 0 262.313 -0.189 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028864039 799174709 /nfs/dbraw/zinc/17/47/09/799174709.db2.gz IUIGXLVRJNTISU-DYEKYZERSA-N 1 0 295.383 -0.109 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001028918836 799180384 /nfs/dbraw/zinc/18/03/84/799180384.db2.gz NAFLTPLFBKGJES-QWHCGFSZSA-N 1 0 292.383 -0.009 20 30 CBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001028926182 799180940 /nfs/dbraw/zinc/18/09/40/799180940.db2.gz KQZGMJDZFFDDCG-VXGBXAGGSA-N 1 0 287.367 -0.019 20 30 CBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001028926179 799181007 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/nfs/dbraw/zinc/53/78/83/799537883.db2.gz AZLGKMPDQWPUMA-JSGCOSHPSA-N 1 0 279.384 -0.487 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001031751063 799540521 /nfs/dbraw/zinc/54/05/21/799540521.db2.gz PQSDGCJWZHKFGN-UHFFFAOYSA-N 1 0 260.297 -0.133 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031900139 799557557 /nfs/dbraw/zinc/55/75/57/799557557.db2.gz ZSFJAMXBBINVBG-NWDGAFQWSA-N 1 0 263.341 -0.431 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031899630 799557638 /nfs/dbraw/zinc/55/76/38/799557638.db2.gz DTGKXYZXNNOGGT-JTQLQIEISA-N 1 0 252.318 -0.756 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031897373 799557758 /nfs/dbraw/zinc/55/77/58/799557758.db2.gz QYGVJXKHVAAKSR-MNOVXSKESA-N 1 0 251.330 -0.268 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031897375 799557780 /nfs/dbraw/zinc/55/77/80/799557780.db2.gz QYGVJXKHVAAKSR-QWRGUYRKSA-N 1 0 251.330 -0.268 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001031973120 799567782 /nfs/dbraw/zinc/56/77/82/799567782.db2.gz XEYKRFKFXKNMLK-NWDGAFQWSA-N 1 0 281.356 -0.357 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001031979200 799567942 /nfs/dbraw/zinc/56/79/42/799567942.db2.gz ZMEIWPVVRCDZMJ-UHFFFAOYSA-N 1 0 262.313 -0.039 20 30 CBEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(CC#N)C1 ZINC001031979175 799568051 /nfs/dbraw/zinc/56/80/51/799568051.db2.gz ZIWCOFHWNQIXPE-CMPLNLGQSA-N 1 0 250.346 -0.244 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001031991902 799570959 /nfs/dbraw/zinc/57/09/59/799570959.db2.gz AHHADRQPNVNELV-GFCCVEGCSA-N 1 0 290.371 -0.140 20 30 CBEDRO C=CCCn1cc(C(=O)NCC2C[NH+](CCO)C2)nn1 ZINC001032042094 799574268 /nfs/dbraw/zinc/57/42/68/799574268.db2.gz NYJGWZPLOFVELP-UHFFFAOYSA-N 1 0 279.344 -0.492 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032048448 799574746 /nfs/dbraw/zinc/57/47/46/799574746.db2.gz VZVZAFCVMCGGQO-UHFFFAOYSA-N 1 0 279.340 -0.337 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001032156823 799587092 /nfs/dbraw/zinc/58/70/92/799587092.db2.gz ZXJAHYIVNZCLMQ-CQSZACIVSA-N 1 0 277.368 -0.074 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001032164551 799588725 /nfs/dbraw/zinc/58/87/25/799588725.db2.gz WIWHDBWLGRHGLP-AWEZNQCLSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001032177483 799589363 /nfs/dbraw/zinc/58/93/63/799589363.db2.gz SPLBLZUAYSTEJP-UHFFFAOYSA-N 1 0 292.383 -0.152 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184490 799590609 /nfs/dbraw/zinc/59/06/09/799590609.db2.gz UHWYUUMFEQDZTP-UHFFFAOYSA-N 1 0 292.339 -0.276 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194880 799592103 /nfs/dbraw/zinc/59/21/03/799592103.db2.gz ZOVBJMKVWMMICY-LLVKDONJSA-N 1 0 287.385 -0.698 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001032201406 799593816 /nfs/dbraw/zinc/59/38/16/799593816.db2.gz BNWKASYLZRNHFK-ZDUSSCGKSA-N 1 0 267.373 -0.059 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206285 799594425 /nfs/dbraw/zinc/59/44/25/799594425.db2.gz WRXBYCNTBZKFCT-UHFFFAOYSA-N 1 0 292.343 -0.999 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032211334 799595302 /nfs/dbraw/zinc/59/53/02/799595302.db2.gz KZCZHHHQKAFFTC-UHFFFAOYSA-N 1 0 278.356 -0.039 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1=O ZINC001032271252 799602592 /nfs/dbraw/zinc/60/25/92/799602592.db2.gz YLMACBSHZPIXOY-STQMWFEESA-N 1 0 275.352 -0.083 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cncn1 ZINC001032282293 799604482 /nfs/dbraw/zinc/60/44/82/799604482.db2.gz PIFXEFCDIGCAEX-STQMWFEESA-N 1 0 273.340 -0.023 20 30 CBEDRO CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCNC(=O)C1 ZINC001032353422 799614386 /nfs/dbraw/zinc/61/43/86/799614386.db2.gz WNVYWLLKBVAYPW-AGIUHOORSA-N 1 0 275.352 -0.179 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCNC1=O ZINC001032442331 799627368 /nfs/dbraw/zinc/62/73/68/799627368.db2.gz SDKBVSADLCMREJ-AVGNSLFASA-N 1 0 275.352 -0.179 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C)C1=O ZINC001032576674 799644290 /nfs/dbraw/zinc/64/42/90/799644290.db2.gz IFCGVDSBEJOOGZ-AVGNSLFASA-N 1 0 275.352 -0.227 20 30 CBEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(C(C)=O)C1 ZINC001032755377 799664780 /nfs/dbraw/zinc/66/47/80/799664780.db2.gz UNEABSYSTIJHNQ-IHRRRGAJSA-N 1 0 275.352 -0.227 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032923085 799687718 /nfs/dbraw/zinc/68/77/18/799687718.db2.gz CFADTCQFTUFBDJ-OLZOCXBDSA-N 1 0 266.341 -0.042 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032968548 799699860 /nfs/dbraw/zinc/69/98/60/799699860.db2.gz RINGALHXJBBAIK-VXGBXAGGSA-N 1 0 263.341 -0.179 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032968073 799700168 /nfs/dbraw/zinc/70/01/68/799700168.db2.gz MYBXYKCWJZJOEL-NWDGAFQWSA-N 1 0 263.341 -0.179 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033024379 799706484 /nfs/dbraw/zinc/70/64/84/799706484.db2.gz WUZOEDXWHFCTNL-SNVBAGLBSA-N 1 0 265.317 -0.298 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CN(C(C)=O)C2)C1 ZINC001033037352 799707594 /nfs/dbraw/zinc/70/75/94/799707594.db2.gz GHKUTGPAZRCWGR-CYBMUJFWSA-N 1 0 263.341 -0.369 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COC(=O)N2)C1 ZINC001033046981 799710019 /nfs/dbraw/zinc/71/00/19/799710019.db2.gz OMBWOCJKUATQLE-MNOVXSKESA-N 1 0 265.313 -0.349 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001033121692 799718450 /nfs/dbraw/zinc/71/84/50/799718450.db2.gz GIRTZQBVKACUAL-NWDGAFQWSA-N 1 0 291.351 -0.310 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)cn2)C1 ZINC001033154793 799719468 /nfs/dbraw/zinc/71/94/68/799719468.db2.gz RXRXKYRFBVDANL-LBPRGKRZSA-N 1 0 288.351 -0.050 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033138773 799720733 /nfs/dbraw/zinc/72/07/33/799720733.db2.gz BQNMEGPUJJFUGK-NEPJUHHUSA-N 1 0 263.341 -0.322 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033157300 799721399 /nfs/dbraw/zinc/72/13/99/799721399.db2.gz IWZKTHGBKWVBMQ-QWRGUYRKSA-N 1 0 292.339 -0.860 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033206761 799726341 /nfs/dbraw/zinc/72/63/41/799726341.db2.gz JDKUQIKDMLAOHG-NSHDSACASA-N 1 0 279.344 -0.700 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033335669 799739630 /nfs/dbraw/zinc/73/96/30/799739630.db2.gz CSFDMXNUTSZFMI-QWRGUYRKSA-N 1 0 266.345 -0.271 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001033335668 799739975 /nfs/dbraw/zinc/73/99/75/799739975.db2.gz CSFDMXNUTSZFMI-MNOVXSKESA-N 1 0 266.345 -0.271 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033335655 799740915 /nfs/dbraw/zinc/74/09/15/799740915.db2.gz COJDSPAJXZIHAV-GHMZBOCLSA-N 1 0 264.329 -0.824 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)n2C)C1 ZINC001033332823 799741021 /nfs/dbraw/zinc/74/10/21/799741021.db2.gz OYEQWFCKZYYBRQ-JTQLQIEISA-N 1 0 262.313 -0.095 20 30 CBEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033347186 799742114 /nfs/dbraw/zinc/74/21/14/799742114.db2.gz WSWSCPPJCIQZJK-SNVBAGLBSA-N 1 0 264.333 -0.068 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001033409900 799752302 /nfs/dbraw/zinc/75/23/02/799752302.db2.gz PPHDJRZQYZAHGA-FRRDWIJNSA-N 1 0 293.367 -0.425 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001033408976 799752371 /nfs/dbraw/zinc/75/23/71/799752371.db2.gz GBTHMAOXARKQGR-SDDRHHMPSA-N 1 0 281.356 -0.262 20 30 CBEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033464161 799756709 /nfs/dbraw/zinc/75/67/09/799756709.db2.gz XRIXWHCZUWDQIU-QWRGUYRKSA-N 1 0 294.355 -0.307 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033497845 799758803 /nfs/dbraw/zinc/75/88/03/799758803.db2.gz DGWRSXRXBYGJOV-NSHDSACASA-N 1 0 277.324 -0.795 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001033597421 799772190 /nfs/dbraw/zinc/77/21/90/799772190.db2.gz XBKQTAVONPYWST-QWRGUYRKSA-N 1 0 251.330 -0.016 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)ccc2=O)C1 ZINC001033601111 799772359 /nfs/dbraw/zinc/77/23/59/799772359.db2.gz KANJGVPLIVYKNW-CYBMUJFWSA-N 1 0 288.351 -0.282 20 30 CBEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033643001 799773277 /nfs/dbraw/zinc/77/32/77/799773277.db2.gz RJYXIQBYWDMEIX-NSHDSACASA-N 1 0 294.355 -0.353 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001033644425 799774251 /nfs/dbraw/zinc/77/42/51/799774251.db2.gz KXOLROGHEJKLGA-LBPRGKRZSA-N 1 0 261.329 -0.166 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001033645303 799775406 /nfs/dbraw/zinc/77/54/06/799775406.db2.gz AWTSRPXDRVSDJJ-LLVKDONJSA-N 1 0 279.340 -0.146 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033668753 799777747 /nfs/dbraw/zinc/77/77/47/799777747.db2.gz DXWAQIBIZPAZKL-GHMZBOCLSA-N 1 0 287.385 -0.603 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001033675367 799781630 /nfs/dbraw/zinc/78/16/30/799781630.db2.gz PCQFYKORKPEULR-NEPJUHHUSA-N 1 0 299.396 -0.766 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2COCCN2C)C1 ZINC001033796544 799789836 /nfs/dbraw/zinc/78/98/36/799789836.db2.gz ZQYYRWSCKCWXFA-KBPBESRZSA-N 1 0 279.384 -0.127 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2c[nH]c(=O)cn2)C1 ZINC001033936054 799801276 /nfs/dbraw/zinc/80/12/76/799801276.db2.gz MIBCXTGVBXTYDO-NSHDSACASA-N 1 0 274.324 -0.061 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001033936803 799802370 /nfs/dbraw/zinc/80/23/70/799802370.db2.gz CQINABUMDFYGKC-WDEREUQCSA-N 1 0 266.345 -0.223 20 30 CBEDRO 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C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1COC2(CN(CC#N)C2)C1 ZINC001053927208 802311748 /nfs/dbraw/zinc/31/17/48/802311748.db2.gz VSNZLURBEBEBBO-QWHCGFSZSA-N 1 0 292.383 -0.046 20 30 CBEDRO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CNC(=O)N1)C2 ZINC001054186044 802327393 /nfs/dbraw/zinc/32/73/93/802327393.db2.gz BVZQSPASIPXDNX-WFASDCNBSA-N 1 0 290.367 -0.385 20 30 CBEDRO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nnn(C)n1)C2 ZINC001054177128 802327674 /nfs/dbraw/zinc/32/76/74/802327674.db2.gz XVAZDISGUPYEHI-CQSZACIVSA-N 1 0 288.355 -0.229 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001054101835 802328477 /nfs/dbraw/zinc/32/84/77/802328477.db2.gz GJNAGBTXGCNHNY-BXUZGUMPSA-N 1 0 278.356 -0.054 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@]2(CO)CCCN(C(C)=O)C2)C1=O ZINC001054248638 802329737 /nfs/dbraw/zinc/32/97/37/802329737.db2.gz ZBWKAOYCQXVKOA-HIFRSBDPSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001054365483 802338928 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C#CC[NH2+][C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1C ZINC001054599388 802357653 /nfs/dbraw/zinc/35/76/53/802357653.db2.gz HCDGVORQZJGCPP-UWVGGRQHSA-N 1 0 263.297 -0.338 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1C ZINC001054631547 802360248 /nfs/dbraw/zinc/36/02/48/802360248.db2.gz BVYMBMLLSVWPJI-WDEREUQCSA-N 1 0 261.329 -0.019 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001054651527 802363773 /nfs/dbraw/zinc/36/37/73/802363773.db2.gz YCHZHMXLGOVUQD-VHSXEESVSA-N 1 0 250.306 -0.704 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1C ZINC001054763656 802370908 /nfs/dbraw/zinc/37/09/08/802370908.db2.gz JMEASFVTFKFTEP-ONGXEEELSA-N 1 0 260.297 -0.135 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054822868 802371739 /nfs/dbraw/zinc/37/17/39/802371739.db2.gz DIPQOKDRLIMRLX-RYUDHWBXSA-N 1 0 293.371 -0.406 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC001054820886 802372108 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CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055629926 802402237 /nfs/dbraw/zinc/40/22/37/802402237.db2.gz ODYSCGZBGAMEEM-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058657127 802560538 /nfs/dbraw/zinc/56/05/38/802560538.db2.gz REWYVZNJLBIBRE-NSHDSACASA-N 1 0 284.360 -0.965 20 30 CBEDRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)C#N ZINC001058817229 802565113 /nfs/dbraw/zinc/56/51/13/802565113.db2.gz BTVCWPDRSCDDHJ-GFCCVEGCSA-N 1 0 298.387 -0.575 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CCCC(=O)N(C)C ZINC001148211540 814934391 /nfs/dbraw/zinc/93/43/91/814934391.db2.gz OBGKLMLXMVTFQJ-UHFFFAOYSA-N 1 0 253.346 -0.026 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001118149210 812479553 /nfs/dbraw/zinc/47/95/53/812479553.db2.gz AAGHSKYZOBUKJJ-MNOVXSKESA-N 1 0 254.334 -0.987 20 30 CBEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001118134425 812475018 /nfs/dbraw/zinc/47/50/18/812475018.db2.gz SPBWHKGSAZORPJ-NWDGAFQWSA-N 1 0 268.361 -0.156 20 30 CBEDRO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001117354612 812391920 /nfs/dbraw/zinc/39/19/20/812391920.db2.gz FZVXDBZGZFQSFI-GFCCVEGCSA-N 1 0 266.345 -0.136 20 30 CBEDRO C[C@]1(C#N)CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC001118045793 812465135 /nfs/dbraw/zinc/46/51/35/812465135.db2.gz WMKZAYLGCBDTHL-GFCCVEGCSA-N 1 0 250.302 -0.773 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)NCc2ncn(C)n2)CC1 ZINC001119676899 812864435 /nfs/dbraw/zinc/86/44/35/812864435.db2.gz AFXHMDDJXNRHKL-UHFFFAOYSA-N 1 0 276.344 -0.288 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cccn(C)c1=O ZINC001148309357 814936661 /nfs/dbraw/zinc/93/66/61/814936661.db2.gz OBVDCASCYYVHAV-UHFFFAOYSA-N 1 0 279.340 -0.093 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001122449889 813167165 /nfs/dbraw/zinc/16/71/65/813167165.db2.gz RRQZPKUZULWVCP-SECBINFHSA-N 1 0 282.344 -0.498 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CCOCC1 ZINC001122502795 813172117 /nfs/dbraw/zinc/17/21/17/813172117.db2.gz GZEKTTWDPMBGFS-NSHDSACASA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CCOCCO ZINC001124488158 813445335 /nfs/dbraw/zinc/44/53/35/813445335.db2.gz KWCZOLBZOKOBRY-LBPRGKRZSA-N 1 0 274.361 -0.318 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCO1 ZINC001124034504 813394758 /nfs/dbraw/zinc/39/47/58/813394758.db2.gz ZPBZDOANQUGQTI-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)nn1C ZINC001124278440 813425767 /nfs/dbraw/zinc/42/57/67/813425767.db2.gz WUBDLVAKYOGTPI-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)n(C)n1 ZINC001124305431 813431753 /nfs/dbraw/zinc/43/17/53/813431753.db2.gz MFOXEOUMVLOIBR-NSHDSACASA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCC=C ZINC001124487341 813445913 /nfs/dbraw/zinc/44/59/13/813445913.db2.gz BQMSBSRSWVXJQB-LBPRGKRZSA-N 1 0 281.356 -0.577 20 30 CBEDRO COC[C@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129148739 813820035 /nfs/dbraw/zinc/82/00/35/813820035.db2.gz MEZKJTXVIPGZAY-QWRGUYRKSA-N 1 0 284.360 -0.749 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CC(=O)NCC)CCOCC1 ZINC001129117092 813820270 /nfs/dbraw/zinc/82/02/70/813820270.db2.gz QSPBIWYEURISRA-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H]2CCNC2=O)CCOCC1 ZINC001129117261 813821426 /nfs/dbraw/zinc/82/14/26/813821426.db2.gz XCTAJHIFFADUER-LBPRGKRZSA-N 1 0 293.367 -0.599 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H](C)C(N)=O)CCC1 ZINC001129124688 813821617 /nfs/dbraw/zinc/82/16/17/813821617.db2.gz DSKBOAXTEWESDK-SNVBAGLBSA-N 1 0 251.330 -0.240 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@@H]1C ZINC001133343815 814247010 /nfs/dbraw/zinc/24/70/10/814247010.db2.gz WSWGLZSSYYAJEC-QWRGUYRKSA-N 1 0 296.371 -0.250 20 30 CBEDRO CCC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001133407000 814250133 /nfs/dbraw/zinc/25/01/33/814250133.db2.gz URFWKTSZCNLCRA-UHFFFAOYSA-N 1 0 252.318 -0.478 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC1=CCOCC1 ZINC001133398839 814250624 /nfs/dbraw/zinc/25/06/24/814250624.db2.gz PSIGOAKRLKTXPC-UHFFFAOYSA-N 1 0 280.328 -0.931 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]C[C@H](C)O ZINC001134817156 814414439 /nfs/dbraw/zinc/41/44/39/814414439.db2.gz OMHQRFRGWNNDNV-JQWIXIFHSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001135154519 814440342 /nfs/dbraw/zinc/44/03/42/814440342.db2.gz GJJAJVWKKMJEHK-LBPRGKRZSA-N 1 0 272.370 -0.317 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001134822362 814414562 /nfs/dbraw/zinc/41/45/62/814414562.db2.gz VCBVGJRREGLPNV-DTWKUNHWSA-N 1 0 275.299 -0.126 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CCCO ZINC001134817194 814414598 /nfs/dbraw/zinc/41/45/98/814414598.db2.gz PWXCITGPVYWFIX-LBPRGKRZSA-N 1 0 271.361 -0.455 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N(C)CC)c1 ZINC001133589614 814274574 /nfs/dbraw/zinc/27/45/74/814274574.db2.gz RHIYVFSYMLHWQK-UHFFFAOYSA-N 1 0 288.351 -0.139 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)c1 ZINC001133593197 814274675 /nfs/dbraw/zinc/27/46/75/814274675.db2.gz SPPUNVAROXKFOY-GFCCVEGCSA-N 1 0 272.308 -0.729 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CC(=O)NCC ZINC001134816602 814414713 /nfs/dbraw/zinc/41/47/13/814414713.db2.gz FVWNWSMGJUORJI-LBPRGKRZSA-N 1 0 298.387 -0.701 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455255 814384050 /nfs/dbraw/zinc/38/40/50/814384050.db2.gz BVXDYCYYHHWUMX-VIFPVBQESA-N 1 0 268.317 -0.744 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134426257 814385281 /nfs/dbraw/zinc/38/52/81/814385281.db2.gz BXXMEOYILCBPOV-GHMZBOCLSA-N 1 0 286.397 -0.073 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148336918 814937770 /nfs/dbraw/zinc/93/77/70/814937770.db2.gz MKWCGSVBRXQCKQ-UHFFFAOYSA-N 1 0 285.303 -0.087 20 30 CBEDRO CN(CC(=O)NCc1ncc(C#N)s1)C(N)=[NH2+] ZINC001144144211 814773806 /nfs/dbraw/zinc/77/38/06/814773806.db2.gz YVHAEYRQOWYSBJ-UHFFFAOYSA-N 1 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SFBNZCSTFNNLRH-UHFFFAOYSA-N 1 0 288.351 -0.139 20 30 CBEDRO COCC#CC[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001148458351 814945510 /nfs/dbraw/zinc/94/55/10/814945510.db2.gz NVFQWBBQVFJAKD-UHFFFAOYSA-N 1 0 289.339 -0.398 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(Cl)no1 ZINC001148662718 814955888 /nfs/dbraw/zinc/95/58/88/814955888.db2.gz REFLRZASCSALSN-UHFFFAOYSA-N 1 0 285.691 -0.713 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)N(C)C)C2)C1 ZINC001148690240 814958055 /nfs/dbraw/zinc/95/80/55/814958055.db2.gz FQELDRIBJZMTIK-UHFFFAOYSA-N 1 0 299.396 -0.955 20 30 CBEDRO C=CCCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NCC ZINC001321468249 803769589 /nfs/dbraw/zinc/76/95/89/803769589.db2.gz HOQVYNKSHPGENS-SNVBAGLBSA-N 1 0 284.360 -0.107 20 30 CBEDRO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001321488530 803773962 /nfs/dbraw/zinc/77/39/62/803773962.db2.gz LSGXPRGEHGDMGT-HTQZYQBOSA-N 1 0 263.301 -0.532 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001321500883 803775390 /nfs/dbraw/zinc/77/53/90/803775390.db2.gz KKFJXTBXWMISMM-VXGBXAGGSA-N 1 0 293.367 -0.435 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001321500444 803775961 /nfs/dbraw/zinc/77/59/61/803775961.db2.gz SNHNQBOJTQNQAM-ZJUUUORDSA-N 1 0 271.317 -0.608 20 30 CBEDRO CNC(=O)CCCC(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321501477 803776034 /nfs/dbraw/zinc/77/60/34/803776034.db2.gz PKDBLNOYXPTNPW-GFCCVEGCSA-N 1 0 283.372 -0.353 20 30 CBEDRO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)C#CC1CC1 ZINC001321510382 803778578 /nfs/dbraw/zinc/77/85/78/803778578.db2.gz DJZAZPODBJLNOH-YPMHNXCESA-N 1 0 298.408 -0.071 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ncccc1OC ZINC001149008452 814964321 /nfs/dbraw/zinc/96/43/21/814964321.db2.gz NTSLEPZIAKJUPE-UHFFFAOYSA-N 1 0 292.339 -0.288 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321520549 803779711 /nfs/dbraw/zinc/77/97/11/803779711.db2.gz NCAYXCUIHBBFFD-RYUDHWBXSA-N 1 0 283.372 -0.286 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001321522553 803780054 /nfs/dbraw/zinc/78/00/54/803780054.db2.gz NAYQAZDHQRMOMU-SNVBAGLBSA-N 1 0 252.322 -0.266 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)NCC[NH+](CC)CC ZINC001321517890 803780242 /nfs/dbraw/zinc/78/02/42/803780242.db2.gz FJTCWDWDJMNFOS-UHFFFAOYSA-N 1 0 277.368 -0.071 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001321575939 803785734 /nfs/dbraw/zinc/78/57/34/803785734.db2.gz VAKJYXLGPMSBCO-GHMZBOCLSA-N 1 0 266.345 -0.495 20 30 CBEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC001321604392 803788745 /nfs/dbraw/zinc/78/87/45/803788745.db2.gz HDVDPXZZGJMQEL-UHFFFAOYSA-N 1 0 292.343 -0.245 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@H](C)C[NH2+]CCOCCO)c1 ZINC001321645017 803795076 /nfs/dbraw/zinc/79/50/76/803795076.db2.gz FZLMKFJAIDWMHR-GFCCVEGCSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)[C@H]1CCCO1 ZINC001149054075 814966275 /nfs/dbraw/zinc/96/62/75/814966275.db2.gz FVKWQADTAWEVHT-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+][C@H]2CCNC2=O)nc1 ZINC001321712618 803806274 /nfs/dbraw/zinc/80/62/74/803806274.db2.gz GSBAZVMRDQFWRQ-MFKMUULPSA-N 1 0 286.335 -0.341 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001321739245 803808438 /nfs/dbraw/zinc/80/84/38/803808438.db2.gz DGRRPSFSSSIFSX-GFCCVEGCSA-N 1 0 261.325 -0.034 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001321801049 803815967 /nfs/dbraw/zinc/81/59/67/803815967.db2.gz OBJHCQHBVDRWMI-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001321801456 803816448 /nfs/dbraw/zinc/81/64/48/803816448.db2.gz XFFCUTLZZGRBNS-WDEREUQCSA-N 1 0 291.355 -0.436 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001321814536 803818941 /nfs/dbraw/zinc/81/89/41/803818941.db2.gz PONOBQZNONEMLX-UWVGGRQHSA-N 1 0 280.328 -0.611 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC(C)(C)O ZINC001321832525 803823389 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CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001149100234 814969942 /nfs/dbraw/zinc/96/99/42/814969942.db2.gz VYSAMZCJLMODRD-GXTWGEPZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC001321938107 803841299 /nfs/dbraw/zinc/84/12/99/803841299.db2.gz FZFURWMLGZJGNQ-GHMZBOCLSA-N 1 0 271.361 -0.240 20 30 CBEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001149100236 814970299 /nfs/dbraw/zinc/97/02/99/814970299.db2.gz VYSAMZCJLMODRD-OCCSQVGLSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cccnn1 ZINC001322023746 803852141 /nfs/dbraw/zinc/85/21/41/803852141.db2.gz VEYXEDWSIXNIRL-QWRGUYRKSA-N 1 0 291.355 -0.125 20 30 CBEDRO C#Cc1ccccc1CC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001322060654 803856055 /nfs/dbraw/zinc/85/60/55/803856055.db2.gz UTUPFAQLPWROFA-NSHDSACASA-N 1 0 273.336 -0.210 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC001322107226 803861448 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CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001322274910 803883495 /nfs/dbraw/zinc/88/34/95/803883495.db2.gz RGHRAJBRGMVHAJ-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCC(=O)N1CCOCC1 ZINC001322294461 803885971 /nfs/dbraw/zinc/88/59/71/803885971.db2.gz UVVTWACCGSTRHH-CYBMUJFWSA-N 1 0 295.383 -0.305 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CNS(=O)(=O)CCCC ZINC001149181724 814974418 /nfs/dbraw/zinc/97/44/18/814974418.db2.gz PEUKGWFOEKKKDV-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322442045 803896757 /nfs/dbraw/zinc/89/67/57/803896757.db2.gz HILPNEUTSZGMBC-WDEREUQCSA-N 1 0 266.345 -0.185 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322442043 803897107 /nfs/dbraw/zinc/89/71/07/803897107.db2.gz HILPNEUTSZGMBC-MNOVXSKESA-N 1 0 266.345 -0.185 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322442042 803897560 /nfs/dbraw/zinc/89/75/60/803897560.db2.gz HILPNEUTSZGMBC-GHMZBOCLSA-N 1 0 266.345 -0.185 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001322487352 803901867 /nfs/dbraw/zinc/90/18/67/803901867.db2.gz FDUQQCCXXMBEEY-NSHDSACASA-N 1 0 295.408 -0.178 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnn(C)c1OC ZINC001149203101 814976637 /nfs/dbraw/zinc/97/66/37/814976637.db2.gz WYWNPOKZZFTSDV-UHFFFAOYSA-N 1 0 280.328 -0.602 20 30 CBEDRO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)=O)C1 ZINC001149205175 814976883 /nfs/dbraw/zinc/97/68/83/814976883.db2.gz AHGAVNLGMHSOGX-ZDUSSCGKSA-N 1 0 283.372 -0.142 20 30 CBEDRO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001322672124 803926030 /nfs/dbraw/zinc/92/60/30/803926030.db2.gz CQAKQPXFRYGDKE-JTQLQIEISA-N 1 0 254.334 -0.318 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)CCCS(N)(=O)=O ZINC001322674031 803926803 /nfs/dbraw/zinc/92/68/03/803926803.db2.gz ZYGUVPZFYHJFID-UHFFFAOYSA-N 1 0 275.374 -0.874 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC001322725364 803931796 /nfs/dbraw/zinc/93/17/96/803931796.db2.gz BNANXJWFZUMYHD-UHFFFAOYSA-N 1 0 289.401 -0.615 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001322750127 803933864 /nfs/dbraw/zinc/93/38/64/803933864.db2.gz LGIQKHQPMSZTAJ-IJLUTSLNSA-N 1 0 283.372 -0.098 20 30 CBEDRO CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC001322798468 803941138 /nfs/dbraw/zinc/94/11/38/803941138.db2.gz AFBXLUXOYQADJK-GFCCVEGCSA-N 1 0 294.355 -0.662 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001322860157 803948514 /nfs/dbraw/zinc/94/85/14/803948514.db2.gz ADTILXGEPCNCON-JTQLQIEISA-N 1 0 265.313 -0.890 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCCC#N ZINC001322947469 803957768 /nfs/dbraw/zinc/95/77/68/803957768.db2.gz RFQGCWVXDNBPRU-GFCCVEGCSA-N 1 0 295.387 -0.842 20 30 CBEDRO COCC#CC[NH2+]C[C@H](NC(=O)CNC(=O)OC)C1CC1 ZINC001322959522 803958537 /nfs/dbraw/zinc/95/85/37/803958537.db2.gz LAWZFZZEHVDROO-LBPRGKRZSA-N 1 0 297.355 -0.523 20 30 CBEDRO 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C#CC[NH2+]C1CC(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC001091381641 810604183 /nfs/dbraw/zinc/60/41/83/810604183.db2.gz AUTHTATUKIMXBA-UHFFFAOYSA-N 1 0 286.335 -0.088 20 30 CBEDRO C#CC[NH2+]C1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001091374182 810604931 /nfs/dbraw/zinc/60/49/31/810604931.db2.gz RSCMBXCYSCIDNT-JXQTWKCFSA-N 1 0 279.384 -0.175 20 30 CBEDRO C#CC[NH2+]C1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001091360542 810605105 /nfs/dbraw/zinc/60/51/05/810605105.db2.gz HULUZZXULZPHCB-UHFFFAOYSA-N 1 0 290.323 -0.783 20 30 CBEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001091390700 810606821 /nfs/dbraw/zinc/60/68/21/810606821.db2.gz XPCZTYSYYQTFIC-MCIGGMRASA-N 1 0 278.356 -0.353 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cnnn3)C[C@]2(C)C1 ZINC001091468711 810608464 /nfs/dbraw/zinc/60/84/64/810608464.db2.gz QWNCLGBTWDYNTG-OCCSQVGLSA-N 1 0 288.355 -0.523 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)C[C@]2(C)C1 ZINC001091636066 810613443 /nfs/dbraw/zinc/61/34/43/810613443.db2.gz 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C[C@@H](O)C[NH2+]CCCNC(=O)c1c[nH]c(C#N)c1 ZINC001156841455 815384309 /nfs/dbraw/zinc/38/43/09/815384309.db2.gz MDCSLQLPBWEGCF-SECBINFHSA-N 1 0 250.302 -0.023 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521883 810632984 /nfs/dbraw/zinc/63/29/84/810632984.db2.gz GLYPEOBBBZKWEJ-MCIONIFRSA-N 1 0 279.384 -0.366 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1c[nH]c(C#N)c1 ZINC001156847778 815384712 /nfs/dbraw/zinc/38/47/12/815384712.db2.gz HIQOLMYLRLGSAC-VIFPVBQESA-N 1 0 277.328 -0.270 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@@H](CC)OC ZINC001156847807 815384798 /nfs/dbraw/zinc/38/47/98/815384798.db2.gz HTIYXNLMNIBHFX-GFCCVEGCSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCC[NH2+]C[C@H](C)OC ZINC001156847629 815385012 /nfs/dbraw/zinc/38/50/12/815385012.db2.gz BZCFBURSRYOEHQ-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001092688815 810637418 /nfs/dbraw/zinc/63/74/18/810637418.db2.gz 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C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1ncnn1)C2 ZINC001094920847 810734606 /nfs/dbraw/zinc/73/46/06/810734606.db2.gz HTJAXKHVOCFJPM-SRVKXCTJSA-N 1 0 274.328 -0.725 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nnn(C)n1)C2 ZINC001094976356 810735457 /nfs/dbraw/zinc/73/54/57/810735457.db2.gz NRLWDYGJKLPQFX-AXFHLTTASA-N 1 0 274.328 -0.574 20 30 CBEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001095370783 810745980 /nfs/dbraw/zinc/74/59/80/810745980.db2.gz AOJVFHPQNKHWSZ-KXNHARMFSA-N 1 0 277.324 -0.160 20 30 CBEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095419120 810750569 /nfs/dbraw/zinc/75/05/69/810750569.db2.gz PIMOMNHTXPCXRD-WOPDTQHZSA-N 1 0 276.344 -0.029 20 30 CBEDRO N#Cc1cnc(Cl)nc1-n1nnc(CC[NH3+])n1 ZINC001156986213 815396078 /nfs/dbraw/zinc/39/60/78/815396078.db2.gz SPUVOWRXXJZKJX-UHFFFAOYSA-N 1 0 250.653 -0.521 20 30 CBEDRO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COC(=O)N1)C2 ZINC001097021345 810795639 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C#CCOCCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC001118038190 812464067 /nfs/dbraw/zinc/46/40/67/812464067.db2.gz JGHRQQNHJURVFI-NSHDSACASA-N 1 0 269.345 -0.758 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC001118068293 812467035 /nfs/dbraw/zinc/46/70/35/812467035.db2.gz UWAWCTPOGZATFH-LLVKDONJSA-N 1 0 279.340 -0.943 20 30 CBEDRO C=CCn1cc(CNC(=O)[C@@H]2C[NH2+]CCO2)nn1 ZINC001118138130 812477084 /nfs/dbraw/zinc/47/70/84/812477084.db2.gz UUNMSZYCYBTTOX-JTQLQIEISA-N 1 0 251.290 -0.931 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC001118155182 812480815 /nfs/dbraw/zinc/48/08/15/812480815.db2.gz FBNUMSOFBJYSFP-AAEUAGOBSA-N 1 0 268.361 -0.549 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1CCn2nc(C(=O)OCC)nc2C1 ZINC001158430405 815529243 /nfs/dbraw/zinc/52/92/43/815529243.db2.gz HSGNRDYIFYMXDY-ZDUSSCGKSA-N 1 0 291.311 -0.852 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(CN)n1 ZINC001118200858 812493858 /nfs/dbraw/zinc/49/38/58/812493858.db2.gz DVLCVEGHYSKMQJ-RNFRBKRXSA-N 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C=C(C)CCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128413524 813773469 /nfs/dbraw/zinc/77/34/69/813773469.db2.gz GMPUBIOPXAAPLW-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnc2[nH]cnc2c1 ZINC001128417779 813774224 /nfs/dbraw/zinc/77/42/24/813774224.db2.gz GLSWTUNGGSJUFJ-UHFFFAOYSA-N 1 0 287.323 -0.073 20 30 CBEDRO C=C(C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128408868 813774325 /nfs/dbraw/zinc/77/43/25/813774325.db2.gz JKXALZHYVQLNRC-SNVBAGLBSA-N 1 0 267.329 -0.146 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1ccn(C)n1 ZINC001128464708 813775251 /nfs/dbraw/zinc/77/52/51/813775251.db2.gz RZMCLGORAPIOJO-UHFFFAOYSA-N 1 0 293.371 -0.639 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H](CC)O1 ZINC001128544702 813782131 /nfs/dbraw/zinc/78/21/31/813782131.db2.gz PKAOHJDIYZJBIU-NWDGAFQWSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CN(C)C(=O)C(C)C ZINC001128590906 813783199 /nfs/dbraw/zinc/78/31/99/813783199.db2.gz XTZZLHOGKBWFLS-UHFFFAOYSA-N 1 0 253.346 -0.170 20 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CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CCC)OC ZINC001132289984 814122030 /nfs/dbraw/zinc/12/20/30/814122030.db2.gz HYQOJNIWOIGSSQ-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO CCC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132289828 814122388 /nfs/dbraw/zinc/12/23/88/814122388.db2.gz CRWKQDFRLHKGGP-SNVBAGLBSA-N 1 0 270.333 -0.853 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCNC1=O ZINC001132358197 814133521 /nfs/dbraw/zinc/13/35/21/814133521.db2.gz ALTDVSQIFCWDDH-SNVBAGLBSA-N 1 0 255.318 -0.969 20 30 CBEDRO C#CC[N@H+]1C[C@H](NC(=O)CCn2cnnn2)CC[C@@H]1C ZINC001132381619 814142987 /nfs/dbraw/zinc/14/29/87/814142987.db2.gz ZCYNATGWYGNTOA-NWDGAFQWSA-N 1 0 276.344 -0.335 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001132395659 814147317 /nfs/dbraw/zinc/14/73/17/814147317.db2.gz KFPFJGOYJAYMMF-QMMMGPOBSA-N 1 0 270.333 -0.512 20 30 CBEDRO C#CC[N@H+]1C[C@@H](NC(=O)CCNC(N)=O)CC[C@H]1C ZINC001132473848 814153187 /nfs/dbraw/zinc/15/31/87/814153187.db2.gz SRSXEXSTQAIMFZ-MNOVXSKESA-N 1 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BWWBRSNGVJFTQD-LBPRGKRZSA-N 1 0 256.346 -0.107 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CCOCCO ZINC001132591367 814166709 /nfs/dbraw/zinc/16/67/09/814166709.db2.gz MRRCBGCSMGMDKR-UHFFFAOYSA-N 1 0 256.346 -0.105 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132616645 814172575 /nfs/dbraw/zinc/17/25/75/814172575.db2.gz CEIRNOIMIBDDNM-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616074 814172587 /nfs/dbraw/zinc/17/25/87/814172587.db2.gz HJKBJRYTSNSFPL-WYUUTHIRSA-N 1 0 281.356 -0.725 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132617845 814172894 /nfs/dbraw/zinc/17/28/94/814172894.db2.gz NYWPKGLQRZNJBV-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO CC1(C)CC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132632688 814173855 /nfs/dbraw/zinc/17/38/55/814173855.db2.gz QOBYOTHIELZDTM-JTQLQIEISA-N 1 0 266.345 -0.232 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC1(C)C ZINC001132635817 814173892 /nfs/dbraw/zinc/17/38/92/814173892.db2.gz GXNAZDATKSNGOG-LLVKDONJSA-N 1 0 265.357 -0.122 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132633860 814174115 /nfs/dbraw/zinc/17/41/15/814174115.db2.gz OYYIYUYKACZKEX-RYUDHWBXSA-N 1 0 280.372 -0.248 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132653525 814175358 /nfs/dbraw/zinc/17/53/58/814175358.db2.gz NUXQXJVVMWLEPU-VIFPVBQESA-N 1 0 270.333 -0.511 20 30 CBEDRO Cc1coc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001132641181 814175952 /nfs/dbraw/zinc/17/59/52/814175952.db2.gz SWXRXLAQEJYOIF-UHFFFAOYSA-N 1 0 264.285 -0.453 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132638514 814176112 /nfs/dbraw/zinc/17/61/12/814176112.db2.gz RZPHONDBTDSSCL-QWRGUYRKSA-N 1 0 268.361 -0.085 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132638512 814176398 /nfs/dbraw/zinc/17/63/98/814176398.db2.gz RZPHONDBTDSSCL-GHMZBOCLSA-N 1 0 268.361 -0.085 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1csc(=O)[nH]1 ZINC001132657803 814176499 /nfs/dbraw/zinc/17/64/99/814176499.db2.gz NEMALXQPKCKYOM-MRVPVSSYSA-N 1 0 298.368 -0.141 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132662614 814177604 /nfs/dbraw/zinc/17/76/04/814177604.db2.gz GTEWDTBTJODEHB-LLVKDONJSA-N 1 0 291.417 -0.156 20 30 CBEDRO C[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(N)=O ZINC001132663966 814177728 /nfs/dbraw/zinc/17/77/28/814177728.db2.gz ADRZLHYYWPYKSI-WDEREUQCSA-N 1 0 298.412 -0.197 20 30 CBEDRO CC(C)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001132671495 814177803 /nfs/dbraw/zinc/17/78/03/814177803.db2.gz UDAYSCOZLLTMSM-UHFFFAOYSA-N 1 0 266.345 -0.232 20 30 CBEDRO C=C[C@H](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001132671553 814177837 /nfs/dbraw/zinc/17/78/37/814177837.db2.gz VTQMDKIQCQRCHB-VHSXEESVSA-N 1 0 284.360 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C ZINC001132716528 814180840 /nfs/dbraw/zinc/18/08/40/814180840.db2.gz CIIIMXJQADFMCL-QWRGUYRKSA-N 1 0 251.330 -0.431 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001132757019 814184640 /nfs/dbraw/zinc/18/46/40/814184640.db2.gz HYBYRNRJHGBAOU-NEPJUHHUSA-N 1 0 291.355 -0.309 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(C(F)F)CCC1 ZINC001132810745 814190709 /nfs/dbraw/zinc/19/07/09/814190709.db2.gz BSYFWUHXEKFNOU-UHFFFAOYSA-N 1 0 288.298 -0.233 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)c1cncnc1 ZINC001132816352 814191096 /nfs/dbraw/zinc/19/10/96/814191096.db2.gz KCCBQTYTAXLJPD-LLVKDONJSA-N 1 0 291.355 -0.412 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132828024 814192204 /nfs/dbraw/zinc/19/22/04/814192204.db2.gz MCTLGRJRNGSTNH-CHWSQXEVSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132828027 814192452 /nfs/dbraw/zinc/19/24/52/814192452.db2.gz MCTLGRJRNGSTNH-STQMWFEESA-N 1 0 295.383 -0.414 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@]2(F)CCOC2)C1=O ZINC001132852025 814193661 /nfs/dbraw/zinc/19/36/61/814193661.db2.gz FYHAORCRYVWOJB-FZMZJTMJSA-N 1 0 299.346 -0.392 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132862471 814195703 /nfs/dbraw/zinc/19/57/03/814195703.db2.gz DJAYKLBRXLWGDJ-GFCCVEGCSA-N 1 0 273.308 -0.877 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132895320 814199083 /nfs/dbraw/zinc/19/90/83/814199083.db2.gz FRKZIPFFGXPTBM-JTQLQIEISA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132950802 814202535 /nfs/dbraw/zinc/20/25/35/814202535.db2.gz UTJXJCFASOXPGZ-UHFFFAOYSA-N 1 0 263.297 -0.350 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964179 814205113 /nfs/dbraw/zinc/20/51/13/814205113.db2.gz DNWFDZXECHMNMH-UHFFFAOYSA-N 1 0 250.302 -0.472 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132998156 814206077 /nfs/dbraw/zinc/20/60/77/814206077.db2.gz PLDIYHJKWRCJCR-SNVBAGLBSA-N 1 0 261.329 -0.046 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133000483 814207683 /nfs/dbraw/zinc/20/76/83/814207683.db2.gz AMPAGWHWJDTCLN-LLVKDONJSA-N 1 0 291.355 -0.420 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133036522 814209720 /nfs/dbraw/zinc/20/97/20/814209720.db2.gz QXMHUEGLMAMTGV-NWDGAFQWSA-N 1 0 290.371 -0.079 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133036520 814210243 /nfs/dbraw/zinc/21/02/43/814210243.db2.gz QXMHUEGLMAMTGV-NEPJUHHUSA-N 1 0 290.371 -0.079 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133037390 814210508 /nfs/dbraw/zinc/21/05/08/814210508.db2.gz WICHPHYWNHNXHP-NEPJUHHUSA-N 1 0 290.371 -0.079 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001133081768 814214599 /nfs/dbraw/zinc/21/45/99/814214599.db2.gz BNYXERRJVMOLJA-VXGBXAGGSA-N 1 0 277.368 -0.041 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133143493 814220789 /nfs/dbraw/zinc/22/07/89/814220789.db2.gz WXYKGDHPWJPKRU-SNVBAGLBSA-N 1 0 267.329 -0.146 20 30 CBEDRO NC(=O)C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001133206501 814231582 /nfs/dbraw/zinc/23/15/82/814231582.db2.gz SYZAGZRGYKXVPO-UHFFFAOYSA-N 1 0 279.727 -0.117 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255335 814233165 /nfs/dbraw/zinc/23/31/65/814233165.db2.gz NGPJDVGTNAEFSJ-ZDUSSCGKSA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccnc1OC ZINC001133270188 814233823 /nfs/dbraw/zinc/23/38/23/814233823.db2.gz HVBHKWIDHAFXPU-UHFFFAOYSA-N 1 0 290.323 -0.841 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1conc1C ZINC001133237001 814233898 /nfs/dbraw/zinc/23/38/98/814233898.db2.gz SJRQJGMSWVVUBZ-JTQLQIEISA-N 1 0 278.312 -0.560 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001133318933 814238880 /nfs/dbraw/zinc/23/88/80/814238880.db2.gz QOUHAFBDSKTEDE-NEPJUHHUSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C ZINC001133297026 814238956 /nfs/dbraw/zinc/23/89/56/814238956.db2.gz HYWYMWYQSRFZHN-OLZOCXBDSA-N 1 0 275.356 -0.015 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[C@@H](C)O1 ZINC001133318936 814239058 /nfs/dbraw/zinc/23/90/58/814239058.db2.gz QOUHAFBDSKTEDE-VXGBXAGGSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[C@H](C)O1 ZINC001133324427 814241543 /nfs/dbraw/zinc/24/15/43/814241543.db2.gz VYJARWSDNDJBBZ-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO CC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC=CC1 ZINC001133328366 814242623 /nfs/dbraw/zinc/24/26/23/814242623.db2.gz NNRPYJFOKVHWML-UHFFFAOYSA-N 1 0 264.329 -0.312 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C)CC=CC1 ZINC001133327953 814242774 /nfs/dbraw/zinc/24/27/74/814242774.db2.gz GUPMTWMZWXAFAJ-UHFFFAOYSA-N 1 0 263.341 -0.202 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COC ZINC001133462191 814257032 /nfs/dbraw/zinc/25/70/32/814257032.db2.gz SSUXLNALLJCNJL-GHMZBOCLSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133485190 814261226 /nfs/dbraw/zinc/26/12/26/814261226.db2.gz XQDKHRBMXWSBBZ-MRVPVSSYSA-N 1 0 283.307 -0.441 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1conc1CC ZINC001133484471 814261236 /nfs/dbraw/zinc/26/12/36/814261236.db2.gz COYJEZWZDXVQAE-SNVBAGLBSA-N 1 0 292.339 -0.306 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133479393 814261392 /nfs/dbraw/zinc/26/13/92/814261392.db2.gz WJOXACRAQNVYIL-YGRLFVJLSA-N 1 0 296.371 -0.948 20 30 CBEDRO Cc1c(C(=O)NCC[NH2+]CC(=O)NCC#N)ccn1C ZINC001133492153 814262556 /nfs/dbraw/zinc/26/25/56/814262556.db2.gz NJNLFCUZASWWHB-UHFFFAOYSA-N 1 0 277.328 -0.707 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133515141 814267651 /nfs/dbraw/zinc/26/76/51/814267651.db2.gz NSSFOFSGWXNUNI-GHMZBOCLSA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCCO1 ZINC001133523794 814270253 /nfs/dbraw/zinc/27/02/53/814270253.db2.gz GBLLDCLLNAMLNT-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC001133530088 814272117 /nfs/dbraw/zinc/27/21/17/814272117.db2.gz ZWQXMKLUFJPKHR-MNOVXSKESA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H]1CCCO1 ZINC001133528755 814272133 /nfs/dbraw/zinc/27/21/33/814272133.db2.gz LTMOLVRMPDRLNF-VXGBXAGGSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133614709 814277021 /nfs/dbraw/zinc/27/70/21/814277021.db2.gz JJGWCZCZOOKSQP-UWVGGRQHSA-N 1 0 252.322 -0.268 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H](CC)C(N)=O)c1 ZINC001133596936 814277086 /nfs/dbraw/zinc/27/70/86/814277086.db2.gz FLNRRQZDVRFFKE-GFCCVEGCSA-N 1 0 274.324 -0.354 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133620676 814277754 /nfs/dbraw/zinc/27/77/54/814277754.db2.gz WFEAOSSTISPQNM-VXGBXAGGSA-N 1 0 296.375 -0.251 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133620674 814278266 /nfs/dbraw/zinc/27/82/66/814278266.db2.gz WFEAOSSTISPQNM-RYUDHWBXSA-N 1 0 296.375 -0.251 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619943 814278704 /nfs/dbraw/zinc/27/87/04/814278704.db2.gz ORNWTLVJCSJSSL-MNOVXSKESA-N 1 0 286.376 -0.270 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CSC ZINC001133645595 814282280 /nfs/dbraw/zinc/28/22/80/814282280.db2.gz RCCIKOFQLGIQPE-QWRGUYRKSA-N 1 0 285.413 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCc1cc(C)on1 ZINC001133668198 814286722 /nfs/dbraw/zinc/28/67/22/814286722.db2.gz RTHQRKJTKLTNBB-UHFFFAOYSA-N 1 0 294.355 -0.076 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)c1ccco1 ZINC001133726995 814290025 /nfs/dbraw/zinc/29/00/25/814290025.db2.gz BDQHKJOJGRJSIJ-LLVKDONJSA-N 1 0 277.324 -0.162 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133788940 814296634 /nfs/dbraw/zinc/29/66/34/814296634.db2.gz IHHSMUVPTGZIET-RYUDHWBXSA-N 1 0 299.371 -0.135 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787712 814296855 /nfs/dbraw/zinc/29/68/55/814296855.db2.gz XNOIOMHMCTXJMF-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781202 814296913 /nfs/dbraw/zinc/29/69/13/814296913.db2.gz CHBMTUUSGOFFLX-WDEREUQCSA-N 1 0 269.345 -0.309 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cncs1 ZINC001133902838 814322685 /nfs/dbraw/zinc/32/26/85/814322685.db2.gz MPHDAOZYUWOUDE-UHFFFAOYSA-N 1 0 294.380 -0.469 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001133908999 814322900 /nfs/dbraw/zinc/32/29/00/814322900.db2.gz FVGGEKQGTOBEBD-MNOVXSKESA-N 1 0 271.361 -0.192 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCc1cnn(C)n1 ZINC001133914486 814324484 /nfs/dbraw/zinc/32/44/84/814324484.db2.gz KCBAHOXGRQHOMF-UHFFFAOYSA-N 1 0 279.344 -0.897 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133929498 814325155 /nfs/dbraw/zinc/32/51/55/814325155.db2.gz ZAJIOOJQTRKTOF-WDEREUQCSA-N 1 0 251.330 -0.560 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cocn1 ZINC001133943870 814327005 /nfs/dbraw/zinc/32/70/05/814327005.db2.gz ZCJPOMAAJZKWLY-VHSXEESVSA-N 1 0 293.327 -0.199 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cocn1 ZINC001133941936 814327871 /nfs/dbraw/zinc/32/78/71/814327871.db2.gz GFXYXRYEFYLDSH-GHMZBOCLSA-N 1 0 292.339 -0.090 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134025611 814342089 /nfs/dbraw/zinc/34/20/89/814342089.db2.gz BTZWVMATYDIOQU-QWRGUYRKSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001134052984 814345584 /nfs/dbraw/zinc/34/55/84/814345584.db2.gz IWCQNXZGFIVWCG-MNOVXSKESA-N 1 0 269.345 -0.629 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001134053036 814345602 /nfs/dbraw/zinc/34/56/02/814345602.db2.gz LFTNGJKNPQYSPI-AGIUHOORSA-N 1 0 295.383 -0.096 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134049800 814346021 /nfs/dbraw/zinc/34/60/21/814346021.db2.gz PFTFGAJNDIYYJG-CHWSQXEVSA-N 1 0 290.367 -0.121 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001134054462 814346081 /nfs/dbraw/zinc/34/60/81/814346081.db2.gz KLFDVAFTSUXCER-NEPJUHHUSA-N 1 0 279.344 -0.425 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134040709 814346137 /nfs/dbraw/zinc/34/61/37/814346137.db2.gz PJFVASLGAVXLKI-UHFFFAOYSA-N 1 0 269.320 -0.419 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC ZINC001134062293 814348210 /nfs/dbraw/zinc/34/82/10/814348210.db2.gz WAGPDDLBJDNHFW-MNOVXSKESA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134061715 814348364 /nfs/dbraw/zinc/34/83/64/814348364.db2.gz FLXYZQJPTWNDBP-UPJWGTAASA-N 1 0 293.367 -0.579 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001134061622 814348386 /nfs/dbraw/zinc/34/83/86/814348386.db2.gz AAMVNVZEOPGAHS-NEPJUHHUSA-N 1 0 281.356 -0.438 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC ZINC001134066352 814348906 /nfs/dbraw/zinc/34/89/06/814348906.db2.gz KUUUZBOPKKDOAA-GHMZBOCLSA-N 1 0 251.330 -0.512 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001134061942 814349599 /nfs/dbraw/zinc/34/95/99/814349599.db2.gz KVPHXLQXQYCZSE-NEPJUHHUSA-N 1 0 279.344 -0.388 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134096736 814350638 /nfs/dbraw/zinc/35/06/38/814350638.db2.gz ZLEFOGAIIDXKFV-IJLUTSLNSA-N 1 0 283.372 -0.050 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134111850 814354251 /nfs/dbraw/zinc/35/42/51/814354251.db2.gz ZRWIIGHXXIGPIZ-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134134406 814355336 /nfs/dbraw/zinc/35/53/36/814355336.db2.gz HGHHAUYUVPLDHI-GHMZBOCLSA-N 1 0 279.344 -0.120 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134135707 814355739 /nfs/dbraw/zinc/35/57/39/814355739.db2.gz KKIPDFBWRCJMGW-UHFFFAOYSA-N 1 0 262.313 -0.696 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(C)C)n[nH]1 ZINC001134157606 814357013 /nfs/dbraw/zinc/35/70/13/814357013.db2.gz IAVXZSDKZPRRAG-UHFFFAOYSA-N 1 0 291.355 -0.398 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)NC ZINC001134209243 814362498 /nfs/dbraw/zinc/36/24/98/814362498.db2.gz LMQIYSYVLOYVSS-MNOVXSKESA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134201362 814363466 /nfs/dbraw/zinc/36/34/66/814363466.db2.gz OBRCMUFWTYUGRG-QWRGUYRKSA-N 1 0 296.371 -0.142 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239474 814364272 /nfs/dbraw/zinc/36/42/72/814364272.db2.gz HMIJVMFMJBPWGY-MNOVXSKESA-N 1 0 265.357 -0.029 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001134288246 814370556 /nfs/dbraw/zinc/37/05/56/814370556.db2.gz HCWAAVVZOPOGTP-VXGBXAGGSA-N 1 0 293.371 -0.049 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnnc1 ZINC001134292140 814372017 /nfs/dbraw/zinc/37/20/17/814372017.db2.gz UZOYGLZOOCKRLU-JTQLQIEISA-N 1 0 277.328 -0.513 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134317587 814372868 /nfs/dbraw/zinc/37/28/68/814372868.db2.gz LBBBKWGQLSYOFN-MNOVXSKESA-N 1 0 296.371 -0.286 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001134317742 814373017 /nfs/dbraw/zinc/37/30/17/814373017.db2.gz NMZSQALLGRVZED-NXEZZACHSA-N 1 0 294.355 -0.532 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352576 814375110 /nfs/dbraw/zinc/37/51/10/814375110.db2.gz RIVWDKKPXGIYMZ-MNOVXSKESA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001134353248 814375973 /nfs/dbraw/zinc/37/59/73/814375973.db2.gz XQASKXVSGVLVTH-MNOVXSKESA-N 1 0 269.345 -0.616 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C)[nH]c1=O ZINC001134365004 814376049 /nfs/dbraw/zinc/37/60/49/814376049.db2.gz CCFVNBOJBPLWBR-UHFFFAOYSA-N 1 0 290.323 -0.836 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134353544 814376818 /nfs/dbraw/zinc/37/68/18/814376818.db2.gz ZSVPCSLIHZIZBZ-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384067 814378666 /nfs/dbraw/zinc/37/86/66/814378666.db2.gz MEBKXWMCVMHBOX-WDEREUQCSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134385097 814378951 /nfs/dbraw/zinc/37/89/51/814378951.db2.gz XRFGAEDTYGCSFQ-NWDGAFQWSA-N 1 0 296.375 -0.251 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]cn2)C1=O ZINC001134394300 814379858 /nfs/dbraw/zinc/37/98/58/814379858.db2.gz YNVWNHXBDDIGNL-GFCCVEGCSA-N 1 0 291.355 -0.555 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134399542 814380320 /nfs/dbraw/zinc/38/03/20/814380320.db2.gz CIZVCXVDIVDWQQ-JTQLQIEISA-N 1 0 279.344 -0.651 20 30 CBEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134410132 814383151 /nfs/dbraw/zinc/38/31/51/814383151.db2.gz DUSUANBUMIKXLM-UHFFFAOYSA-N 1 0 266.345 -0.066 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134477405 814385764 /nfs/dbraw/zinc/38/57/64/814385764.db2.gz IHJKXIQQXIEEEO-UHFFFAOYSA-N 1 0 284.747 -0.108 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134506497 814390454 /nfs/dbraw/zinc/39/04/54/814390454.db2.gz XAVOAIPGEIWCPD-GHMZBOCLSA-N 1 0 291.417 -0.015 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CCC)c1 ZINC001134525980 814394358 /nfs/dbraw/zinc/39/43/58/814394358.db2.gz AGIJOBQIJGOQRY-UHFFFAOYSA-N 1 0 293.371 -0.085 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001134525042 814394455 /nfs/dbraw/zinc/39/44/55/814394455.db2.gz VJCVHYQJKGCMIG-MNOVXSKESA-N 1 0 268.361 -0.188 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001134601245 814397554 /nfs/dbraw/zinc/39/75/54/814397554.db2.gz CRWYPKVNYSVHOX-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCCCO1 ZINC001134575169 814397928 /nfs/dbraw/zinc/39/79/28/814397928.db2.gz YWBYBLZBYQYNOF-ZDUSSCGKSA-N 1 0 295.383 -0.209 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C1(N2CCOCC2)CCCC1 ZINC001134614001 814400023 /nfs/dbraw/zinc/40/00/23/814400023.db2.gz RPMKDAXHWUFYIF-UHFFFAOYSA-N 1 0 279.384 -0.030 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134659836 814404697 /nfs/dbraw/zinc/40/46/97/814404697.db2.gz LTKLPODDGQBZKF-NSHDSACASA-N 1 0 287.360 -0.954 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134667312 814408051 /nfs/dbraw/zinc/40/80/51/814408051.db2.gz FCXZPHWMBFSREZ-UHFFFAOYSA-N 1 0 260.359 -0.461 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787577 814413316 /nfs/dbraw/zinc/41/33/16/814413316.db2.gz MTLCOMSSEBBKKF-OLZOCXBDSA-N 1 0 296.415 -0.181 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134875027 814420199 /nfs/dbraw/zinc/42/01/99/814420199.db2.gz OKKYFTIIDXFKIU-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134877847 814421680 /nfs/dbraw/zinc/42/16/80/814421680.db2.gz KILZLUCMJIADRH-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977250 814429165 /nfs/dbraw/zinc/42/91/65/814429165.db2.gz JZMYQQPFHKFWEQ-JTQLQIEISA-N 1 0 277.390 -0.548 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1nnnc1C(C)C ZINC001135001792 814429593 /nfs/dbraw/zinc/42/95/93/814429593.db2.gz LJGGTCVDWDWVKJ-UHFFFAOYSA-N 1 0 264.333 -0.474 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135043773 814430888 /nfs/dbraw/zinc/43/08/88/814430888.db2.gz LKEVHMQKGLZANC-MNOVXSKESA-N 1 0 276.340 -0.100 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2nc(C)c[nH]2)C1=O ZINC001135055794 814433018 /nfs/dbraw/zinc/43/30/18/814433018.db2.gz YWURNTYLHPBNNW-NSHDSACASA-N 1 0 291.355 -0.176 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135064453 814433252 /nfs/dbraw/zinc/43/32/52/814433252.db2.gz DOFWOOMUIMVWSJ-SNVBAGLBSA-N 1 0 279.344 -0.272 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135064452 814433899 /nfs/dbraw/zinc/43/38/99/814433899.db2.gz DOFWOOMUIMVWSJ-JTQLQIEISA-N 1 0 279.344 -0.272 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001135080432 814435417 /nfs/dbraw/zinc/43/54/17/814435417.db2.gz TYGYKUUYWLUXDA-LLVKDONJSA-N 1 0 291.355 -0.957 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081860 814437309 /nfs/dbraw/zinc/43/73/09/814437309.db2.gz UBLGGHBGBMHAPD-VHSXEESVSA-N 1 0 292.405 -0.901 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135093657 814437551 /nfs/dbraw/zinc/43/75/51/814437551.db2.gz XDTHLXIIDUIPCV-RYUDHWBXSA-N 1 0 293.371 -0.522 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135134846 814438807 /nfs/dbraw/zinc/43/88/07/814438807.db2.gz DCFCTTMZKKZIPW-NSHDSACASA-N 1 0 289.401 -0.308 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnco1 ZINC001135116330 814439045 /nfs/dbraw/zinc/43/90/45/814439045.db2.gz SSJPUIMQHQXNTN-MNOVXSKESA-N 1 0 292.339 -0.090 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135158986 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C#CCC[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135298260 814460919 /nfs/dbraw/zinc/46/09/19/814460919.db2.gz LGIAKCLRNIJONO-UHFFFAOYSA-N 1 0 287.323 -0.326 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CCN1CCOCC1 ZINC001135341222 814465946 /nfs/dbraw/zinc/46/59/46/814465946.db2.gz SBRRALGJNLHERL-UHFFFAOYSA-N 1 0 255.362 -0.009 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384866 814471983 /nfs/dbraw/zinc/47/19/83/814471983.db2.gz MWKJIVVXTWHUNE-LLVKDONJSA-N 1 0 284.360 -0.962 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135378410 814472259 /nfs/dbraw/zinc/47/22/59/814472259.db2.gz DSRJHTOYATWFBK-UHFFFAOYSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384326 814472366 /nfs/dbraw/zinc/47/23/66/814472366.db2.gz BQAGRCPUYDUQAV-GFCCVEGCSA-N 1 0 298.387 -0.571 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)c1cnon1 ZINC001135576704 814496349 /nfs/dbraw/zinc/49/63/49/814496349.db2.gz COQKDMJKWMFGIG-UHFFFAOYSA-N 1 0 295.343 -0.186 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CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001317076510 816929628 /nfs/dbraw/zinc/92/96/28/816929628.db2.gz SLKUEYAXOGBYKX-XYPYZODXSA-N 1 0 261.329 -0.084 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001317086481 816930575 /nfs/dbraw/zinc/93/05/75/816930575.db2.gz HSLHVEPGQIZEAR-HUBLWGQQSA-N 1 0 293.367 -0.458 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001317085564 816930617 /nfs/dbraw/zinc/93/06/17/816930617.db2.gz ADNLSUBOCRERJA-OPRDCNLKSA-N 1 0 293.327 -0.389 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)OCC)C1 ZINC001317103403 816932152 /nfs/dbraw/zinc/93/21/52/816932152.db2.gz NSULCDRFFPTFKP-SDDRHHMPSA-N 1 0 281.356 -0.602 20 30 CBEDRO O=C(C#CC1CC1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001317111038 816932554 /nfs/dbraw/zinc/93/25/54/816932554.db2.gz ZXAGUGWIMLLRKF-BETUJISGSA-N 1 0 273.340 -0.072 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001317108177 816932746 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C=CC[NH2+][C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001317249410 816950295 /nfs/dbraw/zinc/95/02/95/816950295.db2.gz LARRDHXGAQOMQF-SECBINFHSA-N 1 0 266.301 -0.771 20 30 CBEDRO C#CCC[NH2+][C@H](C)CNC(=O)CCN1C(=O)CCC1=O ZINC001317249420 816950946 /nfs/dbraw/zinc/95/09/46/816950946.db2.gz LEXHAHBIYTYWTN-LLVKDONJSA-N 1 0 279.340 -0.357 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001317261486 816953404 /nfs/dbraw/zinc/95/34/04/816953404.db2.gz JGGPSIXROQJGPE-QWRGUYRKSA-N 1 0 296.371 -0.996 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001317268351 816954604 /nfs/dbraw/zinc/95/46/04/816954604.db2.gz MLGLJKWMPAMFTK-JTQLQIEISA-N 1 0 278.312 -0.872 20 30 CBEDRO C[C@@H](CNC(=O)C(N)=O)[NH2+]Cc1ccc(C#N)cc1 ZINC001317267979 816954900 /nfs/dbraw/zinc/95/49/00/816954900.db2.gz JVKXEHLKIRLKTL-VIFPVBQESA-N 1 0 260.297 -0.362 20 30 CBEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(N)=O ZINC001317267427 816955086 /nfs/dbraw/zinc/95/50/86/816955086.db2.gz 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C#Cc1ccc(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)nc1 ZINC001319270201 817183871 /nfs/dbraw/zinc/18/38/71/817183871.db2.gz NGSVBCKFSSHFST-LLVKDONJSA-N 1 0 288.351 -0.236 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)CCNC(N)=O ZINC001319274688 817184531 /nfs/dbraw/zinc/18/45/31/817184531.db2.gz CURAVLFWIXCVRF-NSHDSACASA-N 1 0 284.360 -0.964 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001319283381 817186353 /nfs/dbraw/zinc/18/63/53/817186353.db2.gz RLOMYESUIORUBU-NWDGAFQWSA-N 1 0 286.397 -0.071 20 30 CBEDRO COCC#CCN1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001319317533 817190045 /nfs/dbraw/zinc/19/00/45/817190045.db2.gz CCSPLVAKGVTSLN-CQSZACIVSA-N 1 0 297.399 -0.595 20 30 CBEDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC001319335766 817193178 /nfs/dbraw/zinc/19/31/78/817193178.db2.gz IZELBGLWHOOUEC-SNVBAGLBSA-N 1 0 290.327 -0.444 20 30 CBEDRO COCC#CC[NH2+]C1(CNC(=O)CC(N)=O)CCCC1 ZINC001319342534 817194537 /nfs/dbraw/zinc/19/45/37/817194537.db2.gz PAEAGAJHDXAGMF-UHFFFAOYSA-N 1 0 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C=CCNC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001319457339 817208106 /nfs/dbraw/zinc/20/81/06/817208106.db2.gz ITOIXQRAFRPNKG-UHFFFAOYSA-N 1 0 255.318 -0.745 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001319476308 817208999 /nfs/dbraw/zinc/20/89/99/817208999.db2.gz ONSZXXXFZAIRIP-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C(N)=O ZINC001319477330 817209445 /nfs/dbraw/zinc/20/94/45/817209445.db2.gz VMLDOAGJXLRKNA-LLVKDONJSA-N 1 0 283.372 -0.416 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)COC ZINC001319490128 817210904 /nfs/dbraw/zinc/21/09/04/817210904.db2.gz HWPHMWWYIGSPQA-LBPRGKRZSA-N 1 0 297.399 -0.155 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001319513541 817213223 /nfs/dbraw/zinc/21/32/23/817213223.db2.gz BJPWATZMCROUSK-STQMWFEESA-N 1 0 295.383 -0.449 20 30 CBEDRO C#Cc1cncc(C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)c1 ZINC001319528074 817214894 /nfs/dbraw/zinc/21/48/94/817214894.db2.gz NAXOMGZLBGXIGR-JTQLQIEISA-N 1 0 274.324 -0.402 20 30 CBEDRO C#CCOCCN(C)CC(=O)NC(=O)N[C@@H](C)COC ZINC001319551956 817218686 /nfs/dbraw/zinc/21/86/86/817218686.db2.gz KTQLTRBFSMYRPB-NSHDSACASA-N 1 0 285.344 -0.571 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001319572077 817220738 /nfs/dbraw/zinc/22/07/38/817220738.db2.gz AKZYRVFISIYFFP-MNOVXSKESA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001319573471 817221334 /nfs/dbraw/zinc/22/13/34/817221334.db2.gz HQBCCNLREOKVDN-SNVBAGLBSA-N 1 0 292.339 -0.441 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001319679261 817233130 /nfs/dbraw/zinc/23/31/30/817233130.db2.gz HWPFUFSKQJGLIT-NEPJUHHUSA-N 1 0 283.372 -0.109 20 30 CBEDRO C#CCOCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC001319772830 817241496 /nfs/dbraw/zinc/24/14/96/817241496.db2.gz DICIGYMAYXCDAS-UHFFFAOYSA-N 1 0 265.313 -0.834 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001319801261 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C[C@H](C(=O)NC[C@H](O)CNCC#N)[NH+]1CCCCCC1 ZINC001320283217 817312889 /nfs/dbraw/zinc/31/28/89/817312889.db2.gz MKLWSHNIOBRFBS-CHWSQXEVSA-N 1 0 282.388 -0.159 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2cccnn21 ZINC001320283228 817312955 /nfs/dbraw/zinc/31/29/55/817312955.db2.gz MLQJIJOPCGFTAL-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccnc1C(C)C ZINC001320285397 817314462 /nfs/dbraw/zinc/31/44/62/817314462.db2.gz ZVSOYDLZOJYUSR-GFCCVEGCSA-N 1 0 278.356 -0.294 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1Cl ZINC001320295535 817317199 /nfs/dbraw/zinc/31/71/99/817317199.db2.gz KYVNHEMXQSQVJJ-MRVPVSSYSA-N 1 0 270.720 -0.613 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1cncn1 ZINC001320297114 817318405 /nfs/dbraw/zinc/31/84/05/817318405.db2.gz YGEGUKUQPOHLQP-GFCCVEGCSA-N 1 0 279.344 -0.852 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nccn2cc(C)nc12 ZINC001320297091 817318466 /nfs/dbraw/zinc/31/84/66/817318466.db2.gz YBMGTNVBSSCQMF-NSHDSACASA-N 1 0 287.323 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AVVLKLNGVJDBIY-SECBINFHSA-N 1 0 272.740 -0.090 20 30 CBEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)Cn1cnnn1 ZINC001320340679 817323248 /nfs/dbraw/zinc/32/32/48/817323248.db2.gz AVVLKLNGVJDBIY-VIFPVBQESA-N 1 0 272.740 -0.090 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCO1 ZINC001320342201 817323743 /nfs/dbraw/zinc/32/37/43/817323743.db2.gz HBTUDOYWLKJMJM-NWDGAFQWSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cn1cnnn1 ZINC001320345400 817325439 /nfs/dbraw/zinc/32/54/39/817325439.db2.gz XLARJDSWZWNDSD-JTQLQIEISA-N 1 0 252.322 -0.266 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cn[nH]c1 ZINC001320357254 817326908 /nfs/dbraw/zinc/32/69/08/817326908.db2.gz PNAFAHSOZDXKIQ-JTQLQIEISA-N 1 0 277.328 -0.743 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)c1nccnc1N ZINC001320373343 817329643 /nfs/dbraw/zinc/32/96/43/817329643.db2.gz KPWCJUAUJIONQS-NSHDSACASA-N 1 0 291.355 -0.193 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C#CC(C)C ZINC001320408502 817334710 /nfs/dbraw/zinc/33/47/10/817334710.db2.gz XMMRNOUDVVBIJN-CYBMUJFWSA-N 1 0 277.368 -0.120 20 30 CBEDRO C=C[C@H](COC)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001320440298 817338732 /nfs/dbraw/zinc/33/87/32/817338732.db2.gz ZWQLIMVBDCINGW-ZYHUDNBSSA-N 1 0 259.350 -0.201 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN1CCCS1(=O)=O ZINC001320440180 817339292 /nfs/dbraw/zinc/33/92/92/817339292.db2.gz RNHFNPBXWBOQGJ-LLVKDONJSA-N 1 0 287.385 -0.861 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001320571448 817357162 /nfs/dbraw/zinc/35/71/62/817357162.db2.gz BKAICYXRUIIKGR-JTQLQIEISA-N 1 0 279.340 -0.453 20 30 CBEDRO C[NH+]1CCN(CCNS(=O)(=O)CCCC#N)CC1 ZINC001320590136 817359117 /nfs/dbraw/zinc/35/91/17/817359117.db2.gz SEHIGSSIRNQPJA-UHFFFAOYSA-N 1 0 274.390 -0.543 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001320614920 817362285 /nfs/dbraw/zinc/36/22/85/817362285.db2.gz PASBFOYQFWMUEZ-MNOVXSKESA-N 1 0 296.371 -0.948 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001320624386 817363751 /nfs/dbraw/zinc/36/37/51/817363751.db2.gz ZHZSKNVFMUTRDR-NSHDSACASA-N 1 0 293.371 -0.602 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)CCC ZINC001320662177 817368845 /nfs/dbraw/zinc/36/88/45/817368845.db2.gz LZCIIINNWYYVQX-UHFFFAOYSA-N 1 0 253.346 -0.026 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnccn1 ZINC001320671944 817371027 /nfs/dbraw/zinc/37/10/27/817371027.db2.gz HKBCIBVFZLQDAV-UHFFFAOYSA-N 1 0 290.327 -0.832 20 30 CBEDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CC#N)CC1 ZINC001320682168 817373344 /nfs/dbraw/zinc/37/33/44/817373344.db2.gz MWSXTJRLHDNCNM-UHFFFAOYSA-N 1 0 266.345 -0.184 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@H](C)C#N ZINC001320694277 817376107 /nfs/dbraw/zinc/37/61/07/817376107.db2.gz HLGLKLLWTZIHCC-SNVBAGLBSA-N 1 0 266.345 -0.137 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC)C(=O)c1cc(C#N)c[nH]1 ZINC001320703860 817380479 /nfs/dbraw/zinc/38/04/79/817380479.db2.gz UVGWSRBKPOOYTN-UHFFFAOYSA-N 1 0 277.328 -0.316 20 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SJWGWMLSPYQEOB-NSHDSACASA-N 1 0 288.351 -0.012 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C(C)(C)F ZINC001320944052 817413452 /nfs/dbraw/zinc/41/34/52/817413452.db2.gz PNVRMMJKIWUYEU-AATRIKPKSA-N 1 0 269.320 -0.254 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnn(C)c1 ZINC001320966684 817417800 /nfs/dbraw/zinc/41/78/00/817417800.db2.gz SLLGHKMTOGXDBC-PLNGDYQASA-N 1 0 289.339 -0.955 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)CN1CCCC1=O ZINC001320966239 817417983 /nfs/dbraw/zinc/41/79/83/817417983.db2.gz OFOWHPAOWMYFDF-NSCUHMNNSA-N 1 0 293.367 -0.479 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1COCCO1 ZINC001320979141 817420825 /nfs/dbraw/zinc/42/08/25/817420825.db2.gz NKIBOKJJIYKNNZ-YWVDXFKGSA-N 1 0 282.340 -0.686 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCCO1 ZINC001320979138 817420725 /nfs/dbraw/zinc/42/07/25/817420725.db2.gz NKIBOKJJIYKNNZ-XQJDBVBESA-N 1 0 282.340 -0.686 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1ccon1 ZINC001320987501 817422390 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COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)c1ccc(C#N)[nH]1 ZINC001321030660 817431770 /nfs/dbraw/zinc/43/17/70/817431770.db2.gz KHYAITMVSGPPOV-JDGPPOGSSA-N 1 0 292.339 -0.231 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O ZINC001321039167 817432425 /nfs/dbraw/zinc/43/24/25/817432425.db2.gz NAZBOAKYHQPNOC-BXQPDHIASA-N 1 0 269.345 -0.551 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC=CCNC(=O)c1n[nH]cc1C ZINC001321051463 817435086 /nfs/dbraw/zinc/43/50/86/817435086.db2.gz MQKWSOQLYCFDMI-PLNGDYQASA-N 1 0 291.355 -0.104 20 30 CBEDRO CNC(=O)C[NH2+]C/C=C\CNC(=O)C#CC(C)C ZINC001321055763 817436121 /nfs/dbraw/zinc/43/61/21/817436121.db2.gz XSOHZKSWLXWYPQ-PLNGDYQASA-N 1 0 251.330 -0.346 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)C[C@H](C)NC(N)=O ZINC001321056912 817436172 /nfs/dbraw/zinc/43/61/72/817436172.db2.gz KPPMJWGXOYYQCH-QRGHLMKCSA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)C[C@H](C)NC(N)=O ZINC001321056909 817436812 /nfs/dbraw/zinc/43/68/12/817436812.db2.gz KPPMJWGXOYYQCH-GZTOBOFZSA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)C[C@@H](C)NC(N)=O ZINC001321056911 817436947 /nfs/dbraw/zinc/43/69/47/817436947.db2.gz KPPMJWGXOYYQCH-MVIFTORASA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccoc1CC(N)=O ZINC001321212015 817462553 /nfs/dbraw/zinc/46/25/53/817462553.db2.gz VYWFLZIAZPAGNO-ONEGZZNKSA-N 1 0 275.308 -0.184 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCN(C)C1=O ZINC001321226618 817466188 /nfs/dbraw/zinc/46/61/88/817466188.db2.gz MKCIRISDEXNMOT-FJOGCWAESA-N 1 0 263.341 -0.250 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC12CC2 ZINC001321261662 817470175 /nfs/dbraw/zinc/47/01/75/817470175.db2.gz LBOHHIONEAVCDM-RFMOXSJOSA-N 1 0 276.340 -0.312 20 30 CBEDRO C[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001321306662 817478718 /nfs/dbraw/zinc/47/87/18/817478718.db2.gz ITALCWQCWTYHJG-QVWGBTSJSA-N 1 0 294.355 -0.687 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1nccs1 ZINC001321306637 817478935 /nfs/dbraw/zinc/47/89/35/817478935.db2.gz XVCVMDURTJORTM-OWOJBTEDSA-N 1 0 293.352 -0.342 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CCCn1cncn1 ZINC001321319623 817480406 /nfs/dbraw/zinc/48/04/06/817480406.db2.gz GOBRBGAMZPVTCJ-ONEGZZNKSA-N 1 0 261.329 -0.047 20 30 CBEDRO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001188947547 823724517 /nfs/dbraw/zinc/72/45/17/823724517.db2.gz HDXSLXVIRCHLTE-STQMWFEESA-N 1 0 266.341 -0.042 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185153 823880273 /nfs/dbraw/zinc/88/02/73/823880273.db2.gz DHHCRSZEHNXXKE-CHWSQXEVSA-N 1 0 283.372 -0.408 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001192844216 823987310 /nfs/dbraw/zinc/98/73/10/823987310.db2.gz LZCAVUMSTYXTAS-QJPTWQEYSA-N 1 0 254.330 -0.406 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC)C[C@H]1C ZINC001216842713 824549980 /nfs/dbraw/zinc/54/99/80/824549980.db2.gz KWZOBZOQNKGTRB-GHMZBOCLSA-N 1 0 272.370 -0.509 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC001251851282 825795660 /nfs/dbraw/zinc/79/56/60/825795660.db2.gz IDVYHYNCZXRGMR-NWDGAFQWSA-N 1 0 255.314 -0.118 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CN1CCNC(=O)C1 ZINC001163880395 819861182 /nfs/dbraw/zinc/86/11/82/819861182.db2.gz JIADKARHUAUGCQ-UHFFFAOYSA-N 1 0 268.361 -0.910 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163922203 819864194 /nfs/dbraw/zinc/86/41/94/819864194.db2.gz BZLPMJWLGOZOLF-GHMZBOCLSA-N 1 0 251.330 -0.383 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H](C)CC(N)=O ZINC001163917938 819865898 /nfs/dbraw/zinc/86/58/98/819865898.db2.gz HKTRHORQFRRNKQ-NSHDSACASA-N 1 0 269.345 -0.756 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)CC(N)=O ZINC001163913607 819865965 /nfs/dbraw/zinc/86/59/65/819865965.db2.gz VAAWJPWPNGLEFQ-GHMZBOCLSA-N 1 0 298.387 -0.716 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163922418 819867585 /nfs/dbraw/zinc/86/75/85/819867585.db2.gz FLKYPFRRRZKFDN-VXGBXAGGSA-N 1 0 283.372 -0.204 20 30 CBEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163952900 819875296 /nfs/dbraw/zinc/87/52/96/819875296.db2.gz DCKCBNHFBVJNDZ-UHFFFAOYSA-N 1 0 270.333 -0.511 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](F)CC ZINC001164034544 819880848 /nfs/dbraw/zinc/88/08/48/819880848.db2.gz GDPHLHQYJLZBKR-MNOVXSKESA-N 1 0 271.336 -0.032 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCF ZINC001164072281 819883088 /nfs/dbraw/zinc/88/30/88/819883088.db2.gz RPJQBWIAIAIATQ-NSHDSACASA-N 1 0 271.336 -0.030 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164133407 819884897 /nfs/dbraw/zinc/88/48/97/819884897.db2.gz KJPZVVYDAQXOBZ-NSHDSACASA-N 1 0 296.371 -0.995 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001164153862 819886734 /nfs/dbraw/zinc/88/67/34/819886734.db2.gz ZZOPMPKPVFYQOZ-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)c1nnn(C)n1 ZINC001164163766 819888585 /nfs/dbraw/zinc/88/85/85/819888585.db2.gz SVGQOYKJQSAJIV-UHFFFAOYSA-N 1 0 252.322 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)C(C)C ZINC001164192665 819891528 /nfs/dbraw/zinc/89/15/28/819891528.db2.gz ACNYFQKAIPAXBQ-GFCCVEGCSA-N 1 0 271.336 -0.174 20 30 CBEDRO C#CCC[NH2+]CC1(CCNC(=O)[C@H](C)NC(N)=O)CC1 ZINC001164258512 819894027 /nfs/dbraw/zinc/89/40/27/819894027.db2.gz UZGJCHRCMBCIHQ-NSHDSACASA-N 1 0 280.372 -0.057 20 30 CBEDRO CN(c1ccc([N+](=O)[O-])c(C#N)n1)S(=O)(=O)CC[NH3+] ZINC001164289501 819901905 /nfs/dbraw/zinc/90/19/05/819901905.db2.gz YDICKOQTZCPDRU-UHFFFAOYSA-N 1 0 285.285 -0.414 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001164303859 819908112 /nfs/dbraw/zinc/90/81/12/819908112.db2.gz VCGZZDFPSOPHOS-AWEZNQCLSA-N 1 0 297.399 -0.064 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001164436249 819913805 /nfs/dbraw/zinc/91/38/05/819913805.db2.gz BGKCWVFPAXBFGW-OAHLLOKOSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001164504652 819916082 /nfs/dbraw/zinc/91/60/82/819916082.db2.gz 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294.380 -0.008 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001170458205 820292316 /nfs/dbraw/zinc/29/23/16/820292316.db2.gz JCPGTMAKLKAUOC-IUODEOHRSA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001170458672 820292975 /nfs/dbraw/zinc/29/29/75/820292975.db2.gz NPJQVZBVEMJQJJ-DOMZBBRYSA-N 1 0 293.367 -0.742 20 30 CBEDRO N#Cc1cc(NCCOCCOCC[NH3+])ccn1 ZINC001170508585 820296715 /nfs/dbraw/zinc/29/67/15/820296715.db2.gz UQQIAWWRYKEHQD-UHFFFAOYSA-N 1 0 250.302 -0.221 20 30 CBEDRO N#C[C@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)C(N)=O ZINC001170532817 820299513 /nfs/dbraw/zinc/29/95/13/820299513.db2.gz NTZHMEGJYBTBAA-VIFPVBQESA-N 1 0 275.316 -0.807 20 30 CBEDRO N#C[C@@H](Nc1cncc(OCC[NH+]2CCCC2)n1)C(N)=O ZINC001170533019 820300105 /nfs/dbraw/zinc/30/01/05/820300105.db2.gz SHLNOEFIAUGPKE-SNVBAGLBSA-N 1 0 290.327 -0.259 20 30 CBEDRO Cc1cc(OC2CC[NH2+]CC2)nc(N[C@@H](C#N)C(N)=O)n1 ZINC001170532942 820300169 /nfs/dbraw/zinc/30/01/69/820300169.db2.gz 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C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 ZINC001281166927 828405827 /nfs/dbraw/zinc/40/58/27/828405827.db2.gz HBQGMTRPRWZWEL-AWEZNQCLSA-N 1 0 293.371 -0.052 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)NC(C)=O)C1 ZINC001281163560 828405857 /nfs/dbraw/zinc/40/58/57/828405857.db2.gz OSNWYERKDOQRHV-ZFWWWQNUSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001281162062 828406097 /nfs/dbraw/zinc/40/60/97/828406097.db2.gz CFVVEOBQXYCWIC-AWEZNQCLSA-N 1 0 292.339 -0.684 20 30 CBEDRO C=CC[NH2+]CC1(NC(=O)CNC(=O)OC)CCOCC1 ZINC001281212631 828407724 /nfs/dbraw/zinc/40/77/24/828407724.db2.gz WLOLYCWZPVLHMN-UHFFFAOYSA-N 1 0 285.344 -0.217 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]2CN([C@@H](C)C(N)=O)C[C@H]21 ZINC001187281560 822262615 /nfs/dbraw/zinc/26/26/15/822262615.db2.gz VQEYCZVMNSECNP-SDDRHHMPSA-N 1 0 281.356 -0.405 20 30 CBEDRO C[NH+](C)Cc1ccc(C(=O)N[C@H](C#N)C(N)=O)cc1 ZINC001187303880 822265996 /nfs/dbraw/zinc/26/59/96/822265996.db2.gz 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ZINC001238939070 825574884 /nfs/dbraw/zinc/57/48/84/825574884.db2.gz SAYPVULZJSLEAE-NXEZZACHSA-N 1 0 285.300 -0.610 20 30 CBEDRO N#Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001238948206 825575923 /nfs/dbraw/zinc/57/59/23/825575923.db2.gz JWJIIGCTRONWTC-VXGBXAGGSA-N 1 0 281.337 -0.359 20 30 CBEDRO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001238948334 825576382 /nfs/dbraw/zinc/57/63/82/825576382.db2.gz KOAISIOKTIUPEW-CHWSQXEVSA-N 1 0 295.364 -0.218 20 30 CBEDRO N#Cc1cccc(S(=O)(=O)N2CC[C@@H](O)[C@H]([NH3+])C2)c1 ZINC001238958693 825576800 /nfs/dbraw/zinc/57/68/00/825576800.db2.gz PLRWULSWNSZXGA-VXGBXAGGSA-N 1 0 281.337 -0.359 20 30 CBEDRO C=CCC1(S(=O)(=O)N2CC[C@@H](O)[C@H]([NH3+])C2)CC1 ZINC001238959070 825577502 /nfs/dbraw/zinc/57/75/02/825577502.db2.gz YCDKLWCCMPNUJY-NXEZZACHSA-N 1 0 260.359 -0.181 20 30 CBEDRO N#C[C@H]1CNCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238985957 825581073 /nfs/dbraw/zinc/58/10/73/825581073.db2.gz HNZGEEHPPFOUAF-NSHDSACASA-N 1 0 272.374 -0.887 20 30 CBEDRO CCOC(=O)CN(CCC#N)S(=O)(=O)CC[NH3+] ZINC001239125710 825590767 /nfs/dbraw/zinc/59/07/67/825590767.db2.gz PEFBLBPELIXBTD-UHFFFAOYSA-N 1 0 263.319 -0.946 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246032799 825629147 /nfs/dbraw/zinc/62/91/47/825629147.db2.gz TTWKPIVWZNOQAW-VHSXEESVSA-N 1 0 266.263 -0.037 20 30 CBEDRO C=CCOC[C@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246022709 825624236 /nfs/dbraw/zinc/62/42/36/825624236.db2.gz AVLCBCMHKIDSAF-OLZOCXBDSA-N 1 0 255.362 -0.813 20 30 CBEDRO C=CCOC[C@@H](O)CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001246063555 825631571 /nfs/dbraw/zinc/63/15/71/825631571.db2.gz KQTOFHORPPINAV-DCAQKATOSA-N 1 0 258.318 -0.876 20 30 CBEDRO CCOC(=O)[C@H](CS)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159020 825643736 /nfs/dbraw/zinc/64/37/36/825643736.db2.gz VWTPSUIWWPKMJV-ZJUUUORDSA-N 1 0 273.402 -0.469 20 30 CBEDRO COC(=O)[C@@H]1CC[C@H](N[C@]2(C#N)CC[NH2+]C2)CN1 ZINC001246198010 825649831 /nfs/dbraw/zinc/64/98/31/825649831.db2.gz RXABIODFTPKBFV-NHCYSSNCSA-N 1 0 252.318 -0.875 20 30 CBEDRO COC(=O)n1ncc(C#N)c1N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246268486 825657671 /nfs/dbraw/zinc/65/76/71/825657671.db2.gz PZOFBLOFROKKPT-JTQLQIEISA-N 1 0 290.327 -0.125 20 30 CBEDRO COc1ccc(C(=NO)N[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246260510 825658203 /nfs/dbraw/zinc/65/82/03/825658203.db2.gz HOSRXGIDVZVMCA-JTQLQIEISA-N 1 0 291.355 -0.090 20 30 CBEDRO CCOC(=O)[C@H](C#N)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246295406 825660656 /nfs/dbraw/zinc/66/06/56/825660656.db2.gz XLVACQJHESJNSO-ZJUUUORDSA-N 1 0 252.318 -0.875 20 30 CBEDRO COC(=O)[C@@H]1CC[C@@H](NC2(C#N)CC[NH+](C)CC2)CN1 ZINC001246442186 825672773 /nfs/dbraw/zinc/67/27/73/825672773.db2.gz IFAXLKOSZGOETK-NEPJUHHUSA-N 1 0 280.372 -0.142 20 30 CBEDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CN1 ZINC001246419344 825672896 /nfs/dbraw/zinc/67/28/96/825672896.db2.gz GBEGEGIWTWCBEO-NEPJUHHUSA-N 1 0 260.297 -0.054 20 30 CBEDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NO)CN1 ZINC001246523055 825680220 /nfs/dbraw/zinc/68/02/20/825680220.db2.gz MDCZRZCTAOQAFV-DCAQKATOSA-N 1 0 287.360 -0.210 20 30 CBEDRO N#Cc1ccn2ncc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)c2c1 ZINC001249082575 825748707 /nfs/dbraw/zinc/74/87/07/825748707.db2.gz YQGVJEQIWUKHDV-OCCSQVGLSA-N 1 0 272.308 -0.009 20 30 CBEDRO [NH2+]=C(NC[C@H](O)CN1CCOCC1)c1ccc(F)cn1 ZINC001251038510 825770060 /nfs/dbraw/zinc/77/00/60/825770060.db2.gz XKFUSZXPOVYWJV-NSHDSACASA-N 1 0 282.319 -0.381 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N[C@@H](CO)CC(F)F ZINC001251708248 825786213 /nfs/dbraw/zinc/78/62/13/825786213.db2.gz OLGMXDCETBSRSS-SECBINFHSA-N 1 0 263.288 -0.133 20 30 CBEDRO COC(=O)NC1CN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001251707662 825786273 /nfs/dbraw/zinc/78/62/73/825786273.db2.gz BXBPFXZEESPNPE-UHFFFAOYSA-N 1 0 268.317 -0.699 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC001251821046 825789407 /nfs/dbraw/zinc/78/94/07/825789407.db2.gz FLYQYBJPNFGUKU-LBPRGKRZSA-N 1 0 254.330 -0.545 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001251835611 825791709 /nfs/dbraw/zinc/79/17/09/825791709.db2.gz NZHPAVVOXIRHKK-CHWSQXEVSA-N 1 0 255.314 -0.512 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001251832840 825791907 /nfs/dbraw/zinc/79/19/07/825791907.db2.gz TWRWRJZFRCBCPW-ZJUUUORDSA-N 1 0 267.247 -0.004 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001251840577 825793235 /nfs/dbraw/zinc/79/32/35/825793235.db2.gz QPNKKDCJUKUESY-GXTWGEPZSA-N 1 0 266.341 -0.401 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001251842784 825793531 /nfs/dbraw/zinc/79/35/31/825793531.db2.gz FBCAKCBZHNYRQV-MGPQQGTHSA-N 1 0 269.341 -0.408 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001251843272 825794265 /nfs/dbraw/zinc/79/42/65/825794265.db2.gz ILXRVMVTDKDJKD-IHRRRGAJSA-N 1 0 296.367 -0.966 20 30 CBEDRO C#CCOC[C@@H](O)CN1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001251851594 825796039 /nfs/dbraw/zinc/79/60/39/825796039.db2.gz ONXWWHIYOIVDTO-FQUUOJAGSA-N 1 0 297.351 -0.351 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CCC[C@@H](OCC(=O)NCC)C1 ZINC001251851939 825796782 /nfs/dbraw/zinc/79/67/82/825796782.db2.gz WOEGQQAYVPZWII-ZIAGYGMSSA-N 1 0 298.383 -0.386 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC001251857589 825796815 /nfs/dbraw/zinc/79/68/15/825796815.db2.gz GFOOJRZHPLRAJL-GFCCVEGCSA-N 1 0 269.345 -0.610 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCS[C@@H](C(=O)OCC)C1 ZINC001251857500 825796888 /nfs/dbraw/zinc/79/68/88/825796888.db2.gz DTAUOKRWTKLYPD-VXGBXAGGSA-N 1 0 287.381 -0.022 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CCC[C@H](OCC(=O)NCC)C1 ZINC001251851937 825797054 /nfs/dbraw/zinc/79/70/54/825797054.db2.gz WOEGQQAYVPZWII-KGLIPLIRSA-N 1 0 298.383 -0.386 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001251858446 825797866 /nfs/dbraw/zinc/79/78/66/825797866.db2.gz YKMFGNSEYWGFFD-LBPRGKRZSA-N 1 0 266.341 -0.258 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001251858456 825797978 /nfs/dbraw/zinc/79/79/78/825797978.db2.gz YOOSMBSJUJCCPR-STQMWFEESA-N 1 0 254.330 -0.450 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001251857977 825798118 /nfs/dbraw/zinc/79/81/18/825798118.db2.gz OMYVYPGAKGTWNF-OLZOCXBDSA-N 1 0 277.324 -0.060 20 30 CBEDRO C#CCOC[C@H](O)CN1CC[NH+](CCC(C)(C)O)CC1 ZINC001251858075 825798549 /nfs/dbraw/zinc/79/85/49/825798549.db2.gz QWPXHKOCSFTQMF-CQSZACIVSA-N 1 0 284.400 -0.224 20 30 CBEDRO C#CCOC[C@H](O)CN1CC[NH+](CC(C)(C)O)CC1 ZINC001251860884 825798727 /nfs/dbraw/zinc/79/87/27/825798727.db2.gz WIHFJEQZBVHKNB-CYBMUJFWSA-N 1 0 270.373 -0.614 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001251858207 825798812 /nfs/dbraw/zinc/79/88/12/825798812.db2.gz SVZCNEQOFVOGQO-CYBMUJFWSA-N 1 0 283.372 -0.267 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001251857707 825798982 /nfs/dbraw/zinc/79/89/82/825798982.db2.gz ISZZLAWSNMCWFI-KGLIPLIRSA-N 1 0 297.399 -0.861 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001251858413 825799216 /nfs/dbraw/zinc/79/92/16/825799216.db2.gz XWFDYHSMYWRMDI-CHWSQXEVSA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001251857863 825799225 /nfs/dbraw/zinc/79/92/25/825799225.db2.gz LXKSGDNCARHDLP-RYUDHWBXSA-N 1 0 269.345 -0.610 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001251860811 825799259 /nfs/dbraw/zinc/79/92/59/825799259.db2.gz UUDRVGQWLSCANG-YPMHNXCESA-N 1 0 255.314 -0.118 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001251857990 825799264 /nfs/dbraw/zinc/79/92/64/825799264.db2.gz OWDDCAOYPZUEFJ-LLVKDONJSA-N 1 0 267.329 -0.856 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001251857871 825799283 /nfs/dbraw/zinc/79/92/83/825799283.db2.gz MGERYCJCEHDMIY-OLZOCXBDSA-N 1 0 283.372 -0.267 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC001251858209 825799313 /nfs/dbraw/zinc/79/93/13/825799313.db2.gz SXUINRTXAPDKBX-CYBMUJFWSA-N 1 0 280.368 -0.059 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001251880788 825800481 /nfs/dbraw/zinc/80/04/81/825800481.db2.gz HLHYBHHOZRVXRQ-KBPBESRZSA-N 1 0 290.363 -0.157 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001251881150 825800568 /nfs/dbraw/zinc/80/05/68/825800568.db2.gz OPGPWFJPJQKBPT-QWHCGFSZSA-N 1 0 279.340 -0.366 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001251891434 825801978 /nfs/dbraw/zinc/80/19/78/825801978.db2.gz SFHGWODJUGLMFO-NSHDSACASA-N 1 0 275.370 -0.446 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001251888648 825802552 /nfs/dbraw/zinc/80/25/52/825802552.db2.gz XVBGPHRUHIQOFB-KKUMJFAQSA-N 1 0 279.336 -0.319 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001251888198 825803000 /nfs/dbraw/zinc/80/30/00/825803000.db2.gz PMKDFCSDNHVGTO-GARJFASQSA-N 1 0 261.343 -0.838 20 30 CBEDRO C#CCOC[C@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001251894558 825803376 /nfs/dbraw/zinc/80/33/76/825803376.db2.gz WQSBKPFPRSFPMY-GFCCVEGCSA-N 1 0 275.308 -0.499 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001251894206 825803714 /nfs/dbraw/zinc/80/37/14/825803714.db2.gz QGNMCBZLJABOJH-GHMZBOCLSA-N 1 0 261.343 -0.836 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H](CO)c1ccncc1 ZINC001251894105 825803836 /nfs/dbraw/zinc/80/38/36/825803836.db2.gz OXKLGZLNKGUNMV-QWHCGFSZSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCN1CCC[C@@H](O)C1 ZINC001251893549 825804296 /nfs/dbraw/zinc/80/42/96/825804296.db2.gz GOXIHRUIJDRABY-CHWSQXEVSA-N 1 0 256.346 -0.957 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001251893958 825804643 /nfs/dbraw/zinc/80/46/43/825804643.db2.gz NOPCWZSAUQQTQB-LBPRGKRZSA-N 1 0 285.340 -0.301 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(OC)nn1 ZINC001251891558 825804728 /nfs/dbraw/zinc/80/47/28/825804728.db2.gz VJDDYXDYTBNTKJ-NSHDSACASA-N 1 0 251.286 -0.415 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@H](O)COCC#C ZINC001251896957 825804970 /nfs/dbraw/zinc/80/49/70/825804970.db2.gz QUZKHXKYWDAEEY-ZDUSSCGKSA-N 1 0 255.314 -0.747 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCN1CCC(F)(F)C1 ZINC001251896764 825805081 /nfs/dbraw/zinc/80/50/81/825805081.db2.gz NFFNWNNFIBJSHO-LLVKDONJSA-N 1 0 262.300 -0.072 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1cn(CCF)cn1 ZINC001251899822 825805734 /nfs/dbraw/zinc/80/57/34/825805734.db2.gz CIBVEVNPYYWSOW-LBPRGKRZSA-N 1 0 255.293 -0.047 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1(C(=O)N(C)C)CCC1 ZINC001251903156 825805923 /nfs/dbraw/zinc/80/59/23/825805923.db2.gz FZACOAPSMHQGPF-LLVKDONJSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cncc(C(N)=O)c1 ZINC001251902991 825806077 /nfs/dbraw/zinc/80/60/77/825806077.db2.gz BYLQVVDBFXGKRD-GFCCVEGCSA-N 1 0 263.297 -0.719 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC2)C1 ZINC001251896981 825806200 /nfs/dbraw/zinc/80/62/00/825806200.db2.gz RGCAHVJXILHYQG-STQMWFEESA-N 1 0 266.341 -0.402 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1ccc(C(=O)OC)nc1 ZINC001251906890 825807104 /nfs/dbraw/zinc/80/71/04/825807104.db2.gz OZINAKWBYRIFMD-GFCCVEGCSA-N 1 0 278.308 -0.032 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CCN(COC(C)=O)CC1 ZINC001251904404 825808389 /nfs/dbraw/zinc/80/83/89/825808389.db2.gz ZIJPSZNSSDHMJE-AWEZNQCLSA-N 1 0 284.356 -0.428 20 30 CBEDRO COC(=O)[C@@H](O)CN1CC[C@@H]2SC(=O)C=C2C1 ZINC001252415371 825843694 /nfs/dbraw/zinc/84/36/94/825843694.db2.gz OUFKYPRPDMCSMO-IUCAKERBSA-N 1 0 257.311 -0.206 20 30 CBEDRO COC(=O)[C@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001252441259 825858835 /nfs/dbraw/zinc/85/88/35/825858835.db2.gz HTHJUYIXPMQPMM-SECBINFHSA-N 1 0 265.269 -0.975 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001252452831 825865227 /nfs/dbraw/zinc/86/52/27/825865227.db2.gz CZOUBTBPVUDUSF-KGLIPLIRSA-N 1 0 270.373 -0.044 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001252461854 825867131 /nfs/dbraw/zinc/86/71/31/825867131.db2.gz WAGCFDPIDXAMLU-FRRDWIJNSA-N 1 0 259.346 -0.385 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001252460102 825867963 /nfs/dbraw/zinc/86/79/63/825867963.db2.gz AXEBVOBTPPXYQU-LBPRGKRZSA-N 1 0 284.356 -0.469 20 30 CBEDRO C=CCOC[C@H](O)C[N@@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001252461249 825868044 /nfs/dbraw/zinc/86/80/44/825868044.db2.gz ODFQIDOWHLDTLI-AGIUHOORSA-N 1 0 259.346 -0.385 20 30 CBEDRO C=CCOC[C@@H](O)C[N@@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001252473048 825868863 /nfs/dbraw/zinc/86/88/63/825868863.db2.gz FXORALKQOLMUEG-NWDGAFQWSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@H](O)C[N@@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001252473047 825869126 /nfs/dbraw/zinc/86/91/26/825869126.db2.gz FXORALKQOLMUEG-NEPJUHHUSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@@H](O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001252469073 825869585 /nfs/dbraw/zinc/86/95/85/825869585.db2.gz VGAJALBLRFOQEU-LBPRGKRZSA-N 1 0 285.388 -0.569 20 30 CBEDRO C=CCOC[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001252470603 825869689 /nfs/dbraw/zinc/86/96/89/825869689.db2.gz MTLFMLJBMOPDBI-SNVBAGLBSA-N 1 0 283.328 -0.776 20 30 CBEDRO C=CCOC[C@@H](O)CN1CCO[C@H](CC(=O)OC)C1 ZINC001252468027 825869697 /nfs/dbraw/zinc/86/96/97/825869697.db2.gz JEVSSUCJVHFZMD-NWDGAFQWSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001252486677 825870577 /nfs/dbraw/zinc/87/05/77/825870577.db2.gz GTPGGQADOMYNAZ-JTQLQIEISA-N 1 0 254.286 -0.936 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@@H]1COCCC12OCCO2 ZINC001252486603 825870891 /nfs/dbraw/zinc/87/08/91/825870891.db2.gz FNJXKIRKXILLAV-VXGBXAGGSA-N 1 0 273.329 -0.329 20 30 CBEDRO C=CCOC[C@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC001252474236 825871332 /nfs/dbraw/zinc/87/13/32/825871332.db2.gz WYNCXABZJACMTA-GFCCVEGCSA-N 1 0 271.361 -0.057 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001252492133 825872737 /nfs/dbraw/zinc/87/27/37/825872737.db2.gz WJVCYSXAXOVTHV-ZDUSSCGKSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CCN(C(=O)NC)CC1 ZINC001252490416 825872750 /nfs/dbraw/zinc/87/27/50/825872750.db2.gz HMUWUNZXMDRRPL-LBPRGKRZSA-N 1 0 271.361 -0.057 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@@H](O)COCC=C ZINC001252492650 825872812 /nfs/dbraw/zinc/87/28/12/825872812.db2.gz ZMOUXBIPFQNLLE-CYBMUJFWSA-N 1 0 257.330 -0.194 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001252491111 825872830 /nfs/dbraw/zinc/87/28/30/825872830.db2.gz FUNRUZKOIMZGKM-CYBMUJFWSA-N 1 0 296.371 -0.388 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1(CO)CCN(C)CC1 ZINC001252497903 825873653 /nfs/dbraw/zinc/87/36/53/825873653.db2.gz BMDXPYLFLCMSGA-GFCCVEGCSA-N 1 0 258.362 -0.404 20 30 CBEDRO C=CCOC[C@H](O)CNC1(C(=O)OC)CC[NH+](C)CC1 ZINC001252493665 825873708 /nfs/dbraw/zinc/87/37/08/825873708.db2.gz RQVFROJVVTZFLE-GFCCVEGCSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1(CO)CCN(C)CC1 ZINC001252497904 825873854 /nfs/dbraw/zinc/87/38/54/825873854.db2.gz BMDXPYLFLCMSGA-LBPRGKRZSA-N 1 0 258.362 -0.404 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1CN(c2cnccn2)C1 ZINC001252494172 825873881 /nfs/dbraw/zinc/87/38/81/825873881.db2.gz WXRRPYGNFHLKDN-GFCCVEGCSA-N 1 0 264.329 -0.182 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1CN(c2ccncn2)C1 ZINC001252495410 825873967 /nfs/dbraw/zinc/87/39/67/825873967.db2.gz NQRFFKZYLPMIGU-GFCCVEGCSA-N 1 0 264.329 -0.182 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CN(c2cnccn2)C1 ZINC001252494173 825873994 /nfs/dbraw/zinc/87/39/94/825873994.db2.gz WXRRPYGNFHLKDN-LBPRGKRZSA-N 1 0 264.329 -0.182 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CC[C@H]2O[C@H](C(=O)NCCOC)C[C@H]21 ZINC001252553076 825874466 /nfs/dbraw/zinc/87/44/66/825874466.db2.gz RDJGWYBZHBUYJD-CXTNEJHOSA-N 1 0 298.383 -0.082 20 30 CBEDRO C=C[C@](C)(O)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001252556759 825875450 /nfs/dbraw/zinc/87/54/50/825875450.db2.gz DRRNOYYRYHORNO-ZDUSSCGKSA-N 1 0 255.362 -0.195 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)NC ZINC001252583098 825875983 /nfs/dbraw/zinc/87/59/83/825875983.db2.gz DAHIBLXXBRDYRW-GXTWGEPZSA-N 1 0 285.388 -0.066 20 30 CBEDRO C=C[C@](C)(O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001252556942 825876596 /nfs/dbraw/zinc/87/65/96/825876596.db2.gz GKXUCQPOBKWWHH-LBPRGKRZSA-N 1 0 254.330 -0.096 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001252659198 825879993 /nfs/dbraw/zinc/87/99/93/825879993.db2.gz DTSGDXJGIIGJCL-NHCYSSNCSA-N 1 0 284.312 -0.017 20 30 CBEDRO C#CC[C@H](NC[C@H](O)C[NH+](CC)CC)C(=O)OC ZINC001253214644 825906756 /nfs/dbraw/zinc/90/67/56/825906756.db2.gz RDHXEMFNKXHEHN-RYUDHWBXSA-N 1 0 256.346 -0.156 20 30 CBEDRO CC[NH+](CC)C[C@H](O)CN[C@@H]1C(=O)N(O)C[C@@H]1C ZINC001253215376 825907144 /nfs/dbraw/zinc/90/71/44/825907144.db2.gz XKFDXCFSZBPOOX-AXFHLTTASA-N 1 0 259.350 -0.485 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253706870 825928171 /nfs/dbraw/zinc/92/81/71/825928171.db2.gz UHGDNTMDRNAQCU-YIZRAAEISA-N 1 0 274.317 -0.485 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)NC)CO2)C1 ZINC001253577916 825917414 /nfs/dbraw/zinc/91/74/14/825917414.db2.gz RBKFYWBHARCZTM-GZBFAFLISA-N 1 0 298.383 -0.081 20 30 CBEDRO C=C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1 ZINC001253578099 825917637 /nfs/dbraw/zinc/91/76/37/825917637.db2.gz VHPYWKIYJUONFW-IPYPFGDCSA-N 1 0 298.383 -0.414 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC)C1 ZINC001253577464 825917769 /nfs/dbraw/zinc/91/77/69/825917769.db2.gz UXIDBBQWSUYBDJ-NQBHXWOUSA-N 1 0 254.330 -0.240 20 30 CBEDRO C=C[C@H](O)C[NH+]1C[C@@H](C(=O)OC)C[C@H](C(=O)OC)C1 ZINC001253581124 825917935 /nfs/dbraw/zinc/91/79/35/825917935.db2.gz BTUHTTYDJHZDBB-DCAQKATOSA-N 1 0 271.313 -0.183 20 30 CBEDRO C=C[C@H](O)C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001253584694 825917996 /nfs/dbraw/zinc/91/79/96/825917996.db2.gz QJUPXKOSTNRLIK-ZDUSSCGKSA-N 1 0 288.413 -0.272 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H](CCC)[C@H](O)C(=O)NC1CC1 ZINC001253604939 825918932 /nfs/dbraw/zinc/91/89/32/825918932.db2.gz NFKLDIIUZRFORV-WOPDTQHZSA-N 1 0 256.346 -0.069 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H](CCC)[C@@H](O)C(=O)NC1CC1 ZINC001253604928 825919067 /nfs/dbraw/zinc/91/90/67/825919067.db2.gz NFKLDIIUZRFORV-GRYCIOLGSA-N 1 0 256.346 -0.069 20 30 CBEDRO C#CCOCCOCc1cn(CC2C[NH2+]C2)nn1 ZINC001254059470 825938595 /nfs/dbraw/zinc/93/85/95/825938595.db2.gz KWJFTKLWEXUXPW-UHFFFAOYSA-N 1 0 250.302 -0.336 20 30 CBEDRO C#CC[S@](=O)Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001254060769 825939648 /nfs/dbraw/zinc/93/96/48/825939648.db2.gz XKRHGGGNUSSPSO-VOJFVSQTSA-N 1 0 268.342 -0.852 20 30 CBEDRO C#CC[S@@](=O)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC001254060436 825940365 /nfs/dbraw/zinc/94/03/65/825940365.db2.gz RSHSHUPESDJREN-DYZYQPBXSA-N 1 0 252.343 -0.088 20 30 CBEDRO C=C(C)C(=O)OCc1cn(CCOCC[NH3+])nn1 ZINC001254156330 825945556 /nfs/dbraw/zinc/94/55/56/825945556.db2.gz UMXNYFYVEFYDPK-UHFFFAOYSA-N 1 0 254.290 -0.127 20 30 CBEDRO C#CCOCCOCCOCc1cn(C[C@H](C)[NH3+])nn1 ZINC001254163142 825946554 /nfs/dbraw/zinc/94/65/54/825946554.db2.gz MKUONCQRXKEIOH-LBPRGKRZSA-N 1 0 282.344 -0.192 20 30 CBEDRO N#C[C@H]1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C1 ZINC001254650257 825967291 /nfs/dbraw/zinc/96/72/91/825967291.db2.gz UFXODPBWBRXVNU-RYUDHWBXSA-N 1 0 271.386 -0.001 20 30 CBEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001254637650 825967871 /nfs/dbraw/zinc/96/78/71/825967871.db2.gz SZPFHMQIAGSMSE-CHWSQXEVSA-N 1 0 255.362 -0.055 20 30 CBEDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254662748 825968305 /nfs/dbraw/zinc/96/83/05/825968305.db2.gz KRFZBBZXURHZOW-RQJABVFESA-N 1 0 292.383 -0.190 20 30 CBEDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]21 ZINC001254662749 825968525 /nfs/dbraw/zinc/96/85/25/825968525.db2.gz KRFZBBZXURHZOW-SYQHCUMBSA-N 1 0 292.383 -0.190 20 30 CBEDRO CC[C@@H](CC#N)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001255164157 825977125 /nfs/dbraw/zinc/97/71/25/825977125.db2.gz HOGAHWUKQHITPY-RQVGPUOWSA-N 1 0 288.344 -0.888 20 30 CBEDRO CC1(C)CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001255297813 825979538 /nfs/dbraw/zinc/97/95/38/825979538.db2.gz KFHNQCATCPIOLS-UMSGYPCISA-N 1 0 289.372 -0.813 20 30 CBEDRO CS[C@H](CO)[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001256584328 826026547 /nfs/dbraw/zinc/02/65/47/826026547.db2.gz BPVDKXRHXMHSHU-WDEREUQCSA-N 1 0 273.402 -0.037 20 30 CBEDRO C#CC[NH2+][C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001257916361 826053391 /nfs/dbraw/zinc/05/33/91/826053391.db2.gz WECLGRXPSDURHZ-JTQLQIEISA-N 1 0 261.343 -0.034 20 30 CBEDRO C#CCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001259464236 826095811 /nfs/dbraw/zinc/09/58/11/826095811.db2.gz JGEUWBSJKQHEKS-ZDUSSCGKSA-N 1 0 294.399 -0.732 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC001260309643 826465822 /nfs/dbraw/zinc/46/58/22/826465822.db2.gz NZDOIGJRWVIHRJ-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001261197915 826493123 /nfs/dbraw/zinc/49/31/23/826493123.db2.gz YJFYGULXLJYMIT-VXGBXAGGSA-N 1 0 296.371 -0.416 20 30 CBEDRO CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)C1C[NH2+]C1 ZINC001261371905 826507641 /nfs/dbraw/zinc/50/76/41/826507641.db2.gz FZARLNALALUEFP-UHFFFAOYSA-N 1 0 284.319 -0.122 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001261380383 826508958 /nfs/dbraw/zinc/50/89/58/826508958.db2.gz FTWKJGGYRLPKNX-TXEJJXNPSA-N 1 0 295.408 -0.178 20 30 CBEDRO C=CCn1cc(CNC(=O)C(=O)NCC[C@H](C)[NH2+]C)nn1 ZINC001261435053 826511180 /nfs/dbraw/zinc/51/11/80/826511180.db2.gz HRWLHMBVXNYOQE-JTQLQIEISA-N 1 0 294.359 -0.806 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)CC(F)F ZINC001261483028 826521899 /nfs/dbraw/zinc/52/18/99/826521899.db2.gz GFJRYKDBOFAICC-VHSXEESVSA-N 1 0 265.304 -0.202 20 30 CBEDRO C[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[NH2+]1 ZINC001261501987 826527809 /nfs/dbraw/zinc/52/78/09/826527809.db2.gz VNKNTTUOSQOFKM-DZOVYVGFSA-N 1 0 292.339 -0.277 20 30 CBEDRO N#Cc1cccc2c1CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)C2 ZINC001261525888 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265.357 -0.026 20 30 CBEDRO C#CC[NH2+]C[C@@](C)(NC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001267864273 827230267 /nfs/dbraw/zinc/23/02/67/827230267.db2.gz AHRGYRDWSWSKCQ-CQSZACIVSA-N 1 0 292.339 -0.954 20 30 CBEDRO C#CC[NH2+]CCC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001267908848 827231576 /nfs/dbraw/zinc/23/15/76/827231576.db2.gz SNLHCAPVDAMXNX-UHFFFAOYSA-N 1 0 276.344 -0.475 20 30 CBEDRO C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001267907869 827232456 /nfs/dbraw/zinc/23/24/56/827232456.db2.gz IBFAFVNLDSOEQJ-LBPRGKRZSA-N 1 0 279.340 -0.054 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CCS(C)(=O)=O ZINC001267958756 827233235 /nfs/dbraw/zinc/23/32/35/827233235.db2.gz YMPQZHULFMJTED-LLVKDONJSA-N 1 0 272.370 -0.365 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001267955746 827234130 /nfs/dbraw/zinc/23/41/30/827234130.db2.gz GMUFMIAUOGRVTL-LLVKDONJSA-N 1 0 264.333 -0.170 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)CCNC(=O)NC ZINC001267979346 827236002 /nfs/dbraw/zinc/23/60/02/827236002.db2.gz 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/nfs/dbraw/zinc/23/78/47/827237847.db2.gz FLOKITBNDBVHKQ-LLVKDONJSA-N 1 0 289.401 -0.757 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001267994483 827238956 /nfs/dbraw/zinc/23/89/56/827238956.db2.gz WILJJNDYEUDQOH-SECBINFHSA-N 1 0 263.297 -0.033 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001267997757 827239988 /nfs/dbraw/zinc/23/99/88/827239988.db2.gz VGUNFAPAJRTSDT-PWSUYJOCSA-N 1 0 291.355 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)NC(C)=O ZINC001268005501 827240649 /nfs/dbraw/zinc/24/06/49/827240649.db2.gz VLWTVOXFEBOVRK-ZYHUDNBSSA-N 1 0 253.346 -0.124 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1nnc[nH]1 ZINC001268010080 827241269 /nfs/dbraw/zinc/24/12/69/827241269.db2.gz ZKQBKYNIGYFINM-NXEZZACHSA-N 1 0 294.359 -0.549 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)OC ZINC001268054884 827249081 /nfs/dbraw/zinc/24/90/81/827249081.db2.gz QWGFJRCKQBYPET-GHMZBOCLSA-N 1 0 271.361 -0.240 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC ZINC001268058830 827249479 /nfs/dbraw/zinc/24/94/79/827249479.db2.gz HKALBGFQQVPSJP-FZMZJTMJSA-N 1 0 285.388 -0.114 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC ZINC001268058832 827249614 /nfs/dbraw/zinc/24/96/14/827249614.db2.gz HKALBGFQQVPSJP-SMDDNHRTSA-N 1 0 285.388 -0.114 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CNC(=O)C1CC1 ZINC001268055181 827249625 /nfs/dbraw/zinc/24/96/25/827249625.db2.gz SMGAKRZCQLFPAW-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001268060822 827250293 /nfs/dbraw/zinc/25/02/93/827250293.db2.gz HUPJOGGVHJQYOM-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001268062940 827250633 /nfs/dbraw/zinc/25/06/33/827250633.db2.gz JBHXSMCFMFPXOQ-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001268070929 827252408 /nfs/dbraw/zinc/25/24/08/827252408.db2.gz LBAXSTDNEPHXJK-GFCCVEGCSA-N 1 0 295.387 -0.016 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001268065628 827252479 /nfs/dbraw/zinc/25/24/79/827252479.db2.gz FHNVINLEMZMIGL-JTQLQIEISA-N 1 0 277.390 -0.500 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268083481 827255428 /nfs/dbraw/zinc/25/54/28/827255428.db2.gz DKSXSEHURZZAMT-IUCAKERBSA-N 1 0 268.317 -0.793 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCCN1C(=O)CNC1=O ZINC001268095129 827256045 /nfs/dbraw/zinc/25/60/45/827256045.db2.gz JYWBLRJXLCUEEJ-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CCCN1C(=O)CNC1=O ZINC001268095130 827256213 /nfs/dbraw/zinc/25/62/13/827256213.db2.gz JYWBLRJXLCUEEJ-NSHDSACASA-N 1 0 296.371 -0.059 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC1CC1 ZINC001268094002 827256733 /nfs/dbraw/zinc/25/67/33/827256733.db2.gz RUNJEKMSHZXIFX-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=CCCOCC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001268099000 827256823 /nfs/dbraw/zinc/25/68/23/827256823.db2.gz XUTZTCAUWIQQIU-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001268123823 827258170 /nfs/dbraw/zinc/25/81/70/827258170.db2.gz NZWRRGCNWNSRLK-GHMZBOCLSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)Cn1ncnn1)C1CCCCC1 ZINC001268121612 827258188 /nfs/dbraw/zinc/25/81/88/827258188.db2.gz STBJHNMSDQJHDD-CYBMUJFWSA-N 1 0 290.371 -0.039 20 30 CBEDRO CC#CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001268160068 827258694 /nfs/dbraw/zinc/25/86/94/827258694.db2.gz WYWWYSVTJFBLIM-NSHDSACASA-N 1 0 267.329 -0.054 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001268138047 827258904 /nfs/dbraw/zinc/25/89/04/827258904.db2.gz OZJUHCCDIAAIDO-NEPJUHHUSA-N 1 0 291.355 -0.105 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001268178808 827260052 /nfs/dbraw/zinc/26/00/52/827260052.db2.gz UIMFYRLXNLWNDJ-QWHCGFSZSA-N 1 0 290.371 -0.087 20 30 CBEDRO CC(C)[C@H](CNC(=O)c1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001268208611 827261841 /nfs/dbraw/zinc/26/18/41/827261841.db2.gz LBLUCVVAULHAIS-JTQLQIEISA-N 1 0 292.343 -0.607 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1COC(=O)N1)C(C)C ZINC001268207344 827261994 /nfs/dbraw/zinc/26/19/94/827261994.db2.gz DZHOUILFAQTWEG-ZJUUUORDSA-N 1 0 253.302 -0.542 20 30 CBEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001268235971 827266065 /nfs/dbraw/zinc/26/60/65/827266065.db2.gz VSCRDIXHGNVSAC-JTQLQIEISA-N 1 0 254.334 -0.189 20 30 CBEDRO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001268236418 827266429 /nfs/dbraw/zinc/26/64/29/827266429.db2.gz HHFSCVUOOZEXQD-NSHDSACASA-N 1 0 289.401 -0.308 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001268244688 827269214 /nfs/dbraw/zinc/26/92/14/827269214.db2.gz FYDRURYNGMZBMW-NSHDSACASA-N 1 0 251.330 -0.464 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001268246012 827269734 /nfs/dbraw/zinc/26/97/34/827269734.db2.gz 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NRBASSDFJWNCRH-GFCCVEGCSA-N 1 0 298.387 -0.565 20 30 CBEDRO CC[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001272413654 827795179 /nfs/dbraw/zinc/79/51/79/827795179.db2.gz GJRXWEDPMOEMIR-WCQYABFASA-N 1 0 295.383 -0.619 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001272415036 827796075 /nfs/dbraw/zinc/79/60/75/827796075.db2.gz VCPWGLXHXLRAFB-SNVBAGLBSA-N 1 0 290.310 -0.252 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272429948 827796127 /nfs/dbraw/zinc/79/61/27/827796127.db2.gz HDYFCNUTYALUPQ-GFCCVEGCSA-N 1 0 265.357 -0.041 20 30 CBEDRO COCC[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001272414530 827796219 /nfs/dbraw/zinc/79/62/19/827796219.db2.gz QDGKUNBUYHHAGY-NSHDSACASA-N 1 0 256.346 -0.251 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001272415518 827796438 /nfs/dbraw/zinc/79/64/38/827796438.db2.gz YMGKJGUXYJFXSL-SNVBAGLBSA-N 1 0 262.313 -0.857 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C(F)F)n1 ZINC001272434881 827797548 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C=CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2ncnn21 ZINC001272463023 827802749 /nfs/dbraw/zinc/80/27/49/827802749.db2.gz ZOZYSZBJZPLBRS-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(N(C)C)nc1 ZINC001272462013 827802823 /nfs/dbraw/zinc/80/28/23/827802823.db2.gz SODQXJDIONIUOQ-CYBMUJFWSA-N 1 0 290.367 -0.149 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CC1(C)CC1 ZINC001272478611 827804171 /nfs/dbraw/zinc/80/41/71/827804171.db2.gz AHKZLXQZFIZUPR-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001272479904 827804818 /nfs/dbraw/zinc/80/48/18/827804818.db2.gz UMHAMPRCZTVCPS-JTQLQIEISA-N 1 0 253.277 -0.143 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001272486955 827806015 /nfs/dbraw/zinc/80/60/15/827806015.db2.gz BNTIVWHZPHYEHA-QWHCGFSZSA-N 1 0 296.371 -0.250 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccnc(C)n1 ZINC001272488310 827806097 /nfs/dbraw/zinc/80/60/97/827806097.db2.gz MKPGXXBIEFITGU-CYBMUJFWSA-N 1 0 278.356 -0.030 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001272495625 827808260 /nfs/dbraw/zinc/80/82/60/827808260.db2.gz GIECEWWTAHSOOR-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO C#CCN1C(=O)COCC12C[NH+](CC1CCOCC1)C2 ZINC001272509526 827809259 /nfs/dbraw/zinc/80/92/59/827809259.db2.gz JVBGWFCDUKUWHE-UHFFFAOYSA-N 1 0 278.352 -0.041 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001272505697 827810290 /nfs/dbraw/zinc/81/02/90/827810290.db2.gz ZHBMOOXZCOZFJO-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001272505698 827810398 /nfs/dbraw/zinc/81/03/98/827810398.db2.gz ZHBMOOXZCOZFJO-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1(CC)CC1 ZINC001272514024 827810797 /nfs/dbraw/zinc/81/07/97/827810797.db2.gz RZMCWONJPAUBAI-NWDGAFQWSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001272519996 827811082 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C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001272536770 827817537 /nfs/dbraw/zinc/81/75/37/827817537.db2.gz LCBKMVDJPPPLKN-KGLIPLIRSA-N 1 0 295.383 -0.453 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001272552872 827819626 /nfs/dbraw/zinc/81/96/26/827819626.db2.gz KXBDIMRTAWUREO-YPMHNXCESA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570417 827821791 /nfs/dbraw/zinc/82/17/91/827821791.db2.gz RQVBAQRAKAERDL-CQSZACIVSA-N 1 0 287.323 -0.221 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001272567609 827822542 /nfs/dbraw/zinc/82/25/42/827822542.db2.gz SCSPKVOIMIRHDH-JTQLQIEISA-N 1 0 277.328 -0.081 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001272575045 827825033 /nfs/dbraw/zinc/82/50/33/827825033.db2.gz LZQQTXDLRYSWNF-AWEZNQCLSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001272592954 827825999 /nfs/dbraw/zinc/82/59/99/827825999.db2.gz 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C=C(C)C[NH2+]CC[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001272812896 827841292 /nfs/dbraw/zinc/84/12/92/827841292.db2.gz FNFDSRLJZWFPNR-NSHDSACASA-N 1 0 291.417 -0.062 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001272966984 827853794 /nfs/dbraw/zinc/85/37/94/827853794.db2.gz LOTHLSOHEUIJDH-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001273067660 827861052 /nfs/dbraw/zinc/86/10/52/827861052.db2.gz ULLHATRHWOLORZ-GHMZBOCLSA-N 1 0 251.330 -0.227 20 30 CBEDRO C#CCN1C(=O)COCC12CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273145797 827868684 /nfs/dbraw/zinc/86/86/84/827868684.db2.gz YLIJJAGGPLWSJQ-CQSZACIVSA-N 1 0 291.395 -0.125 20 30 CBEDRO C=CCC[NH2+]C1(CNC(=O)CS(=O)(=O)NC)CCC1 ZINC001273203408 827873492 /nfs/dbraw/zinc/87/34/92/827873492.db2.gz YVEMVEXOHKCHPH-UHFFFAOYSA-N 1 0 289.401 -0.260 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001273216046 827874367 /nfs/dbraw/zinc/87/43/67/827874367.db2.gz CZUPENBAJIHBBT-CYBMUJFWSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)COC)C1=O ZINC001273229935 827874442 /nfs/dbraw/zinc/87/44/42/827874442.db2.gz PDNOWTZXUKOVBD-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001273227857 827875647 /nfs/dbraw/zinc/87/56/47/827875647.db2.gz YVJANYMGVSUAHC-JTQLQIEISA-N 1 0 280.353 -0.008 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001273216048 827875259 /nfs/dbraw/zinc/87/52/59/827875259.db2.gz CZUPENBAJIHBBT-ZDUSSCGKSA-N 1 0 283.372 -0.094 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273226286 827875469 /nfs/dbraw/zinc/87/54/69/827875469.db2.gz OALGJWLDAIYMCE-KBPBESRZSA-N 1 0 296.367 -0.510 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001273226288 827875599 /nfs/dbraw/zinc/87/55/99/827875599.db2.gz OALGJWLDAIYMCE-UONOGXRCSA-N 1 0 296.367 -0.510 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C)ncn2)CCO1 ZINC001273244228 827876601 /nfs/dbraw/zinc/87/66/01/827876601.db2.gz NIQOBGHPZQBAOE-GFCCVEGCSA-N 1 0 274.324 -0.151 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)CCO1 ZINC001273243693 827877340 /nfs/dbraw/zinc/87/73/40/827877340.db2.gz FPIXDUAPIPIQBH-CHWSQXEVSA-N 1 0 291.355 -0.321 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C)n2)CCO1 ZINC001273237796 827877356 /nfs/dbraw/zinc/87/73/56/827877356.db2.gz SYNJOUORMUNKGK-NSHDSACASA-N 1 0 262.313 -0.218 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCO1 ZINC001273251879 827878385 /nfs/dbraw/zinc/87/83/85/827878385.db2.gz OAAVALOLFLJFAD-AWEZNQCLSA-N 1 0 295.383 -0.142 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)CC(=O)NCC)CCO1 ZINC001273245033 827878863 /nfs/dbraw/zinc/87/88/63/827878863.db2.gz ZKFXHOQQDHJTIR-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001273251469 827879285 /nfs/dbraw/zinc/87/92/85/827879285.db2.gz LJSXICRPOFDTDY-JTQLQIEISA-N 1 0 265.317 -0.568 20 30 CBEDRO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C#CC(C)C)CCO1 ZINC001273260417 827880607 /nfs/dbraw/zinc/88/06/07/827880607.db2.gz IYPNISXVOKJLNZ-UONOGXRCSA-N 1 0 298.383 -0.530 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H](C)C#N ZINC001273297844 827886325 /nfs/dbraw/zinc/88/63/25/827886325.db2.gz DEAHLYSCMFBVJJ-NSHDSACASA-N 1 0 264.329 -0.666 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2conc2COC)CCO1 ZINC001273342410 827890809 /nfs/dbraw/zinc/89/08/09/827890809.db2.gz LPOGPMHQOAZQDM-NSHDSACASA-N 1 0 293.323 -0.115 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)COCCOCC)CCO1 ZINC001273365614 827895029 /nfs/dbraw/zinc/89/50/29/827895029.db2.gz KVSWFGRVKXSADU-ZDUSSCGKSA-N 1 0 284.356 -0.510 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)COCCOCC)CCO1 ZINC001273365613 827895416 /nfs/dbraw/zinc/89/54/16/827895416.db2.gz KVSWFGRVKXSADU-CYBMUJFWSA-N 1 0 284.356 -0.510 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273374600 827896354 /nfs/dbraw/zinc/89/63/54/827896354.db2.gz KXPMDICIGHYVSD-VXGBXAGGSA-N 1 0 283.328 -0.261 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H](C)OC ZINC001273488281 827902918 /nfs/dbraw/zinc/90/29/18/827902918.db2.gz HAVFNHLLGNBCTD-OLZOCXBDSA-N 1 0 297.399 -0.061 20 30 CBEDRO COCC#CC[N@H+](C)CCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001273553653 827910944 /nfs/dbraw/zinc/91/09/44/827910944.db2.gz FGGDQFRBVNJZDV-UHFFFAOYSA-N 1 0 295.383 -0.318 20 30 CBEDRO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001273559693 827912671 /nfs/dbraw/zinc/91/26/71/827912671.db2.gz CEAOVPKVGSBVNZ-NWDGAFQWSA-N 1 0 283.372 -0.014 20 30 CBEDRO C#Cc1cncc(C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)c1 ZINC001273604320 827912863 /nfs/dbraw/zinc/91/28/63/827912863.db2.gz BMLKDKXJLGQMOY-NSHDSACASA-N 1 0 288.351 -0.012 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)C(C)(C)NS(C)(=O)=O ZINC001273652360 827915705 /nfs/dbraw/zinc/91/57/05/827915705.db2.gz BEOKCWRJTFYKRQ-UHFFFAOYSA-N 1 0 291.417 -0.062 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cccnn1 ZINC001273673463 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251.330 -0.418 20 30 CBEDRO C=CC[NH2+]C[C@@H](NC(=O)CNC(=O)NC)C1CC1 ZINC001276595221 828152157 /nfs/dbraw/zinc/15/21/57/828152157.db2.gz MKRXLOKVNXWOKO-SNVBAGLBSA-N 1 0 254.334 -0.414 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001276602824 828152261 /nfs/dbraw/zinc/15/22/61/828152261.db2.gz GDFAZUNVDMYQPH-GFCCVEGCSA-N 1 0 295.383 -0.368 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)C(=O)NCC(F)F)C1CC1 ZINC001276612706 828153011 /nfs/dbraw/zinc/15/30/11/828153011.db2.gz XCVZUNPJOYHFIF-VIFPVBQESA-N 1 0 273.283 -0.515 20 30 CBEDRO CC#CC[NH2+]C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001276612611 828153091 /nfs/dbraw/zinc/15/30/91/828153091.db2.gz VCSBRDGHSKSJIP-GFCCVEGCSA-N 1 0 291.355 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CC1 ZINC001276611572 828153348 /nfs/dbraw/zinc/15/33/48/828153348.db2.gz JFFBRRHGOSXXFF-KOLCDFICSA-N 1 0 272.370 -0.463 20 30 CBEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@@H]2C1 ZINC001276699155 828155503 /nfs/dbraw/zinc/15/55/03/828155503.db2.gz BWIQQHYRJHFPMA-FIQHERPVSA-N 1 0 265.357 -0.022 20 30 CBEDRO C=CC[NH2+]C[C@@H](NC(=O)CN1C(=O)CN(C)C1=O)C1CC1 ZINC001276702753 828155948 /nfs/dbraw/zinc/15/59/48/828155948.db2.gz KVBSHRIPKVZKNI-LLVKDONJSA-N 1 0 294.355 -0.449 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)C1CC1 ZINC001276711776 828156887 /nfs/dbraw/zinc/15/68/87/828156887.db2.gz MZKFQDMOIGENBH-CYBMUJFWSA-N 1 0 286.335 -0.088 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001276721015 828156931 /nfs/dbraw/zinc/15/69/31/828156931.db2.gz KBEXGNNKSMOOIG-MNOVXSKESA-N 1 0 277.324 -0.843 20 30 CBEDRO C=CCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001276761075 828157499 /nfs/dbraw/zinc/15/74/99/828157499.db2.gz KGBKIOZETYDABO-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001276778212 828158986 /nfs/dbraw/zinc/15/89/86/828158986.db2.gz LCZWYMUEIJOEOP-CMPLNLGQSA-N 1 0 277.328 -0.353 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001276801727 828160440 /nfs/dbraw/zinc/16/04/40/828160440.db2.gz QNGUFXHJFHPDIX-PWSUYJOCSA-N 1 0 278.312 -0.088 20 30 CBEDRO COCC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001276809941 828160912 /nfs/dbraw/zinc/16/09/12/828160912.db2.gz NYCMFMZFYXSXEL-KBPBESRZSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CNC(C)=O)C[C@@]2(C)C1 ZINC001276893638 828165009 /nfs/dbraw/zinc/16/50/09/828165009.db2.gz LRFLAMAPHNVJFN-GASCZTMLSA-N 1 0 277.368 -0.074 20 30 CBEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)OC)C1 ZINC001276948534 828167530 /nfs/dbraw/zinc/16/75/30/828167530.db2.gz XORGOTVTWMEBGI-FIQHERPVSA-N 1 0 264.325 -0.087 20 30 CBEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001276969297 828169062 /nfs/dbraw/zinc/16/90/62/828169062.db2.gz AWNRYVVJQYSBDO-MNOVXSKESA-N 1 0 294.355 -0.259 20 30 CBEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001276955069 828169195 /nfs/dbraw/zinc/16/91/95/828169195.db2.gz DECGTLJDZXKNEN-XYPYZODXSA-N 1 0 261.329 -0.145 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCNC1=O ZINC001277906560 828218173 /nfs/dbraw/zinc/21/81/73/828218173.db2.gz CEHVBKCUVITDTI-MNOVXSKESA-N 1 0 251.330 -0.418 20 30 CBEDRO N#CCNC(=O)C[NH2+]C1(CNC(=O)c2cncs2)CC1 ZINC001277006277 828171323 /nfs/dbraw/zinc/17/13/23/828171323.db2.gz ASAYJJSVVDRICD-UHFFFAOYSA-N 1 0 293.352 -0.365 20 30 CBEDRO CSC[C@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001277020511 828171894 /nfs/dbraw/zinc/17/18/94/828171894.db2.gz VCOPPVJFDIHBCT-JTQLQIEISA-N 1 0 298.412 -0.136 20 30 CBEDRO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001277027353 828172419 /nfs/dbraw/zinc/17/24/19/828172419.db2.gz SZDKCZGDMKIZFB-MGCOHNPYSA-N 1 0 264.333 -0.116 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC001277050771 828174129 /nfs/dbraw/zinc/17/41/29/828174129.db2.gz ZNSDMXTYFSEGSW-SECBINFHSA-N 1 0 285.294 -0.371 20 30 CBEDRO C=C(C)C[NH2+]C1(CNC(=O)CCS(=O)(=O)NC)CC1 ZINC001277055981 828174225 /nfs/dbraw/zinc/17/42/25/828174225.db2.gz ZWTCZCUQNORQAT-UHFFFAOYSA-N 1 0 289.401 -0.260 20 30 CBEDRO CC#CC[NH2+]C1(CNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC001277072250 828174713 /nfs/dbraw/zinc/17/47/13/828174713.db2.gz SNPWMJJIBWIMCI-NSHDSACASA-N 1 0 291.351 -0.214 20 30 CBEDRO C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CS(=O)(=O)CC)C1 ZINC001277092491 828174750 /nfs/dbraw/zinc/17/47/50/828174750.db2.gz FEMRMAAOYWEHND-XYPYZODXSA-N 1 0 272.370 -0.461 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(CNC(=O)C(N)=O)CC1 ZINC001277158058 828177296 /nfs/dbraw/zinc/17/72/96/828177296.db2.gz NWWXUKOWPURDFP-UHFFFAOYSA-N 1 0 296.371 -0.865 20 30 CBEDRO COCC#CC[NH2+]C1(CNC(=O)[C@@H](COC)OC)CC1 ZINC001277170821 828177864 /nfs/dbraw/zinc/17/78/64/828177864.db2.gz QCANXRNVRPTIFJ-GFCCVEGCSA-N 1 0 284.356 -0.464 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001277178251 828178430 /nfs/dbraw/zinc/17/84/30/828178430.db2.gz UIMQRGYRINTXOK-UTUOFQBUSA-N 1 0 293.367 -0.296 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC001277224060 828179708 /nfs/dbraw/zinc/17/97/08/828179708.db2.gz CQLJLGAGXIESIH-UHFFFAOYSA-N 1 0 292.339 -0.858 20 30 CBEDRO COCC#CC[NH2+]C1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001277217980 828179920 /nfs/dbraw/zinc/17/99/20/828179920.db2.gz PKHTYTXKIYJVMD-UHFFFAOYSA-N 1 0 277.328 -0.765 20 30 CBEDRO C=C(C)C[NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001277245458 828180961 /nfs/dbraw/zinc/18/09/61/828180961.db2.gz FQJWDDHDGISOSE-UHFFFAOYSA-N 1 0 280.328 -0.647 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001277263822 828181166 /nfs/dbraw/zinc/18/11/66/828181166.db2.gz HNDKJPPKHLXEEB-VXGBXAGGSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)CCn1cnnn1 ZINC001277329637 828184012 /nfs/dbraw/zinc/18/40/12/828184012.db2.gz UVVBOVNTDYIMOR-NSHDSACASA-N 1 0 264.333 -0.429 20 30 CBEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001277349925 828186016 /nfs/dbraw/zinc/18/60/16/828186016.db2.gz UBYDVHOCCRRJFB-NSHDSACASA-N 1 0 293.371 -0.602 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001277515164 828193145 /nfs/dbraw/zinc/19/31/45/828193145.db2.gz UOCBQSUURWELIA-CHWSQXEVSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@]1(C)CCNC1=O ZINC001277521390 828193233 /nfs/dbraw/zinc/19/32/33/828193233.db2.gz YIHDIWNHOXYTBW-CQSZACIVSA-N 1 0 281.356 -0.790 20 30 CBEDRO CN(CC#N)CCOCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277535554 828193603 /nfs/dbraw/zinc/19/36/03/828193603.db2.gz OHQVGBFJUWFZON-CYBMUJFWSA-N 1 0 282.388 -0.084 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001277629165 828198944 /nfs/dbraw/zinc/19/89/44/828198944.db2.gz FVDMMGDNRFMMKO-UONOGXRCSA-N 1 0 279.384 -0.223 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CNC(=O)CC ZINC001277621657 828198964 /nfs/dbraw/zinc/19/89/64/828198964.db2.gz DNWJCLRMFQYAAK-GFCCVEGCSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cnnn1 ZINC001277614928 828199073 /nfs/dbraw/zinc/19/90/73/828199073.db2.gz GAOSMXGURANRPO-GFCCVEGCSA-N 1 0 276.344 -0.477 20 30 CBEDRO C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001277651398 828200387 /nfs/dbraw/zinc/20/03/87/828200387.db2.gz CMMHWHSDZKDTJJ-LLVKDONJSA-N 1 0 266.345 -0.223 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)C(N)=O ZINC001277662109 828202545 /nfs/dbraw/zinc/20/25/45/828202545.db2.gz DYNMCFZZOWNSQB-LLVKDONJSA-N 1 0 265.357 -0.042 20 30 CBEDRO C=CCC[NH+]1CC(N(C)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001277691892 828204154 /nfs/dbraw/zinc/20/41/54/828204154.db2.gz XCRLWTMGFMSBLG-NSHDSACASA-N 1 0 294.355 -0.307 20 30 CBEDRO C=CCC[NH+]1CC(N(C)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001277691891 828205114 /nfs/dbraw/zinc/20/51/14/828205114.db2.gz XCRLWTMGFMSBLG-LLVKDONJSA-N 1 0 294.355 -0.307 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C1=COCCO1 ZINC001277751726 828207147 /nfs/dbraw/zinc/20/71/47/828207147.db2.gz NUENPLOPVZGETK-LBPRGKRZSA-N 1 0 282.340 -0.039 20 30 CBEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001277770628 828208257 /nfs/dbraw/zinc/20/82/57/828208257.db2.gz GOQAMTBCDLJFHR-JTQLQIEISA-N 1 0 284.360 -0.155 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC(=O)NCC ZINC001277800645 828209311 /nfs/dbraw/zinc/20/93/11/828209311.db2.gz NOKFWBWIJDRMMF-NSHDSACASA-N 1 0 253.346 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](O)C(C)C ZINC001277809010 828209973 /nfs/dbraw/zinc/20/99/73/828209973.db2.gz CJSHVELPFSQWQN-WCQYABFASA-N 1 0 285.388 -0.258 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001277805506 828210091 /nfs/dbraw/zinc/21/00/91/828210091.db2.gz UQHAUXZNKXQKDU-JTQLQIEISA-N 1 0 290.327 -0.756 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001277819321 828210779 /nfs/dbraw/zinc/21/07/79/828210779.db2.gz KBHVNFZZRXPVPI-CHWSQXEVSA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001277820057 828210963 /nfs/dbraw/zinc/21/09/63/828210963.db2.gz VPIBKPFQOHRYGR-RYUDHWBXSA-N 1 0 294.355 -0.899 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001277822434 828212065 /nfs/dbraw/zinc/21/20/65/828212065.db2.gz FTIDWTTWVFBHAV-MNOVXSKESA-N 1 0 266.345 -0.185 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001277844769 828213422 /nfs/dbraw/zinc/21/34/22/828213422.db2.gz JKCOKRHEEKMTMJ-IUCAKERBSA-N 1 0 268.317 -0.793 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCNC1=O ZINC001277853468 828214282 /nfs/dbraw/zinc/21/42/82/828214282.db2.gz GVYMUPSHKWPFRI-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001277855663 828214698 /nfs/dbraw/zinc/21/46/98/828214698.db2.gz XRPCUSRZZLCWGU-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC001277865889 828215153 /nfs/dbraw/zinc/21/51/53/828215153.db2.gz KNVMJSDZZLFCDG-NSHDSACASA-N 1 0 289.401 -0.356 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001277930281 828219879 /nfs/dbraw/zinc/21/98/79/828219879.db2.gz ZHBVKGLYTFOFKM-LLVKDONJSA-N 1 0 294.355 -0.174 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C(N)=O ZINC001277932979 828220584 /nfs/dbraw/zinc/22/05/84/828220584.db2.gz RSUAICDVKRIIEM-JTQLQIEISA-N 1 0 255.318 -0.745 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001277937902 828220656 /nfs/dbraw/zinc/22/06/56/828220656.db2.gz KVXNSTPIGNAMJI-OUAUKWLOSA-N 1 0 267.329 -0.911 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001277989441 828227831 /nfs/dbraw/zinc/22/78/31/828227831.db2.gz XYATWZHVKOZKAA-JTQLQIEISA-N 1 0 282.344 -0.497 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cncn1 ZINC001278009631 828228951 /nfs/dbraw/zinc/22/89/51/828228951.db2.gz ARESQIHYVOVAEC-LBPRGKRZSA-N 1 0 279.344 -0.636 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)Cn1cncn1 ZINC001278009630 828229690 /nfs/dbraw/zinc/22/96/90/828229690.db2.gz 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C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC001278347442 828265413 /nfs/dbraw/zinc/26/54/13/828265413.db2.gz RFIBVZCBYHNGKR-NEPJUHHUSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CCCO)C[C@H]1C ZINC001278373480 828266785 /nfs/dbraw/zinc/26/67/85/828266785.db2.gz ZHDZSUPIMUBJPF-OLZOCXBDSA-N 1 0 268.357 -0.012 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(=O)COC)C1 ZINC001278379745 828267883 /nfs/dbraw/zinc/26/78/83/828267883.db2.gz TZTCVDAQLFRMLE-CHWSQXEVSA-N 1 0 295.383 -0.307 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC001278403582 828268268 /nfs/dbraw/zinc/26/82/68/828268268.db2.gz JKTLGPSZHOVDJF-NWDGAFQWSA-N 1 0 291.355 -0.343 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(=O)COC)C1 ZINC001278379746 828268301 /nfs/dbraw/zinc/26/83/01/828268301.db2.gz TZTCVDAQLFRMLE-OLZOCXBDSA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)CC)C1 ZINC001278423195 828269400 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C[C@]1(C#N)CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC001342112029 889714961 /nfs/dbraw/zinc/71/49/61/889714961.db2.gz ORUIVGXTMRCNPD-SCVCMEIPSA-N 1 0 253.302 -0.509 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](O)[C@@H](F)C1 ZINC001342235760 889736309 /nfs/dbraw/zinc/73/63/09/889736309.db2.gz BHNFVLXQZOUYBJ-RYUDHWBXSA-N 1 0 254.305 -0.079 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001342444059 889774298 /nfs/dbraw/zinc/77/42/98/889774298.db2.gz AORJDZZLLZOSCS-ZDUSSCGKSA-N 1 0 295.383 -0.447 20 30 CBEDRO C[C@]1(NC(=O)C#CC2CC[NH2+]CC2)CCOC1=O ZINC001342902810 889842615 /nfs/dbraw/zinc/84/26/15/889842615.db2.gz ZXYWWUYLGUJERB-ZDUSSCGKSA-N 1 0 250.298 -0.189 20 30 CBEDRO CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001444296869 912416308 /nfs/dbraw/zinc/41/63/08/912416308.db2.gz BZHCDDSQNKUCMS-WDEREUQCSA-N 1 0 284.360 -0.919 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001444296004 912416674 /nfs/dbraw/zinc/41/66/74/912416674.db2.gz 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C=CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001331387044 886790395 /nfs/dbraw/zinc/79/03/95/886790395.db2.gz JHBPVTQWIZUZDF-SMDDNHRTSA-N 1 0 281.356 -0.355 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1cc[nH]n1)[NH2+]CC(=O)NCC#N ZINC001331388446 886790896 /nfs/dbraw/zinc/79/08/96/886790896.db2.gz MYXFJDIPTHPUSG-VIFPVBQESA-N 1 0 278.316 -0.900 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C(N)=O ZINC001331476888 886820294 /nfs/dbraw/zinc/82/02/94/886820294.db2.gz YQYDNTRHJDUYSH-JTQLQIEISA-N 1 0 253.346 -0.042 20 30 CBEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001331492707 886821403 /nfs/dbraw/zinc/82/14/03/886821403.db2.gz YBJXHAVZRLZURN-GFCCVEGCSA-N 1 0 295.387 -0.016 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(=O)NCC(F)F ZINC001331491764 886822619 /nfs/dbraw/zinc/82/26/19/886822619.db2.gz PZYOCGSYIZBHPC-MRVPVSSYSA-N 1 0 263.288 -0.010 20 30 CBEDRO N#Cc1cc(C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)c[nH]1 ZINC001447455143 913085170 /nfs/dbraw/zinc/08/51/70/913085170.db2.gz 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C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001331756419 886958169 /nfs/dbraw/zinc/95/81/69/886958169.db2.gz IGPUCVLXSHZCNX-VXGBXAGGSA-N 1 0 282.344 -0.640 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001331770030 886967349 /nfs/dbraw/zinc/96/73/49/886967349.db2.gz FJUCVJNTBLGXDN-DOMZBBRYSA-N 1 0 297.399 -0.064 20 30 CBEDRO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C1CC1 ZINC001331772821 886970290 /nfs/dbraw/zinc/97/02/90/886970290.db2.gz RSLHVFNCTXISTJ-NSHDSACASA-N 1 0 296.371 -0.871 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001331772971 886971002 /nfs/dbraw/zinc/97/10/02/886971002.db2.gz BFQMYEZNEJHGBW-YPMHNXCESA-N 1 0 290.367 -0.775 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001331773426 886971232 /nfs/dbraw/zinc/97/12/32/886971232.db2.gz FLHSFKRBEXKSJR-QWRGUYRKSA-N 1 0 293.371 -0.133 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001331773053 886972381 /nfs/dbraw/zinc/97/23/81/886972381.db2.gz SOYHKYVPRAAASD-QMMMGPOBSA-N 1 0 269.326 -0.448 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1conc1C ZINC001331774980 886974238 /nfs/dbraw/zinc/97/42/38/886974238.db2.gz QFCHCWVTTWHFBJ-NSHDSACASA-N 1 0 281.312 -0.687 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ncccc1F ZINC001331775980 886974636 /nfs/dbraw/zinc/97/46/36/886974636.db2.gz WKDAUHYMNWCFMH-SNVBAGLBSA-N 1 0 265.288 -0.537 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(CC)nc1C ZINC001331789464 886980649 /nfs/dbraw/zinc/98/06/49/886980649.db2.gz JGFSUKHAQIQHOW-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CCOCC)c1 ZINC001331786379 886981135 /nfs/dbraw/zinc/98/11/35/886981135.db2.gz BYSMYAMBRLILKE-CQSZACIVSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331788398 886982304 /nfs/dbraw/zinc/98/23/04/886982304.db2.gz VFKXSTMIWUIPFL-SDDRHHMPSA-N 1 0 299.371 -0.948 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cc1cncn1C ZINC001331823146 886996750 /nfs/dbraw/zinc/99/67/50/886996750.db2.gz CIXTYSGBWRGPFO-NSHDSACASA-N 1 0 266.345 -0.395 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ncccc1OC ZINC001331820937 886997136 /nfs/dbraw/zinc/99/71/36/886997136.db2.gz VNMUNMASVXPRFF-LLVKDONJSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1Cl ZINC001331822593 886998459 /nfs/dbraw/zinc/99/84/59/886998459.db2.gz BNZFWLHLEWOGHA-MRVPVSSYSA-N 1 0 272.736 -0.060 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)c1cccnc1 ZINC001331826978 887000646 /nfs/dbraw/zinc/00/06/46/887000646.db2.gz WRYWGFQOMHXGPY-AAEUAGOBSA-N 1 0 261.325 -0.115 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001331825631 887000827 /nfs/dbraw/zinc/00/08/27/887000827.db2.gz PQMIPDFYXJKSLL-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC(C)[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[NH2+]1 ZINC001331831195 887001636 /nfs/dbraw/zinc/00/16/36/887001636.db2.gz CXKIQWIKWBUOKC-RISCZKNCSA-N 1 0 296.346 -0.093 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]CCCOC)nc1 ZINC001331824452 887002805 /nfs/dbraw/zinc/00/28/05/887002805.db2.gz IQOWATSWWOLNJZ-CYBMUJFWSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001331839870 887009780 /nfs/dbraw/zinc/00/97/80/887009780.db2.gz GOWFVEFYSBTVFA-NSHDSACASA-N 1 0 292.339 -0.563 20 30 CBEDRO N#CC1(C[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001331850752 887012923 /nfs/dbraw/zinc/01/29/23/887012923.db2.gz QTMMLWWAJJVHLZ-VIFPVBQESA-N 1 0 266.301 -0.817 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC(C)C)[C@H]1C ZINC001331861535 887017035 /nfs/dbraw/zinc/01/70/35/887017035.db2.gz TYJLHGPBQCDVDC-QWHCGFSZSA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CCN(C(=O)C(=O)N(CC)CC[NH3+])[C@H](C)COC ZINC001331864636 887017905 /nfs/dbraw/zinc/01/79/05/887017905.db2.gz PJWRSYCFFPDOJW-LLVKDONJSA-N 1 0 271.361 -0.157 20 30 CBEDRO C=CCNC(=O)[C@@H](C)n1cc(C[C@H]([NH3+])COC)nn1 ZINC001331875944 887026807 /nfs/dbraw/zinc/02/68/07/887026807.db2.gz YCOLOUTXIHDQSH-ZJUUUORDSA-N 1 0 267.333 -0.343 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H](O)C(C)(C)O)CC1 ZINC001331909188 887038102 /nfs/dbraw/zinc/03/81/02/887038102.db2.gz CKVFBURCGBARHX-SECBINFHSA-N 1 0 255.318 -0.778 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC001331941660 887055268 /nfs/dbraw/zinc/05/52/68/887055268.db2.gz XJNDLXWYEDFLKU-MNOVXSKESA-N 1 0 294.355 -0.307 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001331941637 887055542 /nfs/dbraw/zinc/05/55/42/887055542.db2.gz WUFRJIWREOSPCB-QWHCGFSZSA-N 1 0 291.355 -0.493 20 30 CBEDRO CCOCC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001331961291 887063787 /nfs/dbraw/zinc/06/37/87/887063787.db2.gz XLYKDBLINAFDDV-CLMBFONXSA-N 1 0 297.355 -0.110 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)COCCOC)C1 ZINC001331970296 887070382 /nfs/dbraw/zinc/07/03/82/887070382.db2.gz MQHKITOVGHOHKD-UONOGXRCSA-N 1 0 298.383 -0.122 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975189 887071168 /nfs/dbraw/zinc/07/11/68/887071168.db2.gz GTDXXTGUICTJFV-NWDGAFQWSA-N 1 0 265.357 -0.029 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)COCCOC)C1 ZINC001331970295 887071318 /nfs/dbraw/zinc/07/13/18/887071318.db2.gz MQHKITOVGHOHKD-KGLIPLIRSA-N 1 0 298.383 -0.122 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001332028714 887087598 /nfs/dbraw/zinc/08/75/98/887087598.db2.gz CRJZMMWCESLYRJ-NWDGAFQWSA-N 1 0 276.344 -0.335 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332030392 887087786 /nfs/dbraw/zinc/08/77/86/887087786.db2.gz IDMSXOGYFMQGND-WDEREUQCSA-N 1 0 277.328 -0.353 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001332023839 887088007 /nfs/dbraw/zinc/08/80/07/887088007.db2.gz AMRHYUAQNSAKKV-GHMZBOCLSA-N 1 0 274.324 -0.014 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332030386 887088028 /nfs/dbraw/zinc/08/80/28/887088028.db2.gz IDMSXOGYFMQGND-MNOVXSKESA-N 1 0 277.328 -0.353 20 30 CBEDRO CC(=O)N[C@@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001332066798 887100157 /nfs/dbraw/zinc/10/01/57/887100157.db2.gz YUBGMEZZQKUIJN-DGCLKSJQSA-N 1 0 264.329 -0.241 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NCCc1nnc(N)o1 ZINC001332082580 887105380 /nfs/dbraw/zinc/10/53/80/887105380.db2.gz HHZMKGXNRQJCCW-UHFFFAOYSA-N 1 0 253.306 -0.182 20 30 CBEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C#N)CC1 ZINC001332115382 887116084 /nfs/dbraw/zinc/11/60/84/887116084.db2.gz CSPDAIJISCFINW-ONGXEEELSA-N 1 0 264.329 -0.303 20 30 CBEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)CCNC(N)=O)CCC[C@H]12 ZINC001332118263 887118646 /nfs/dbraw/zinc/11/86/46/887118646.db2.gz NQQGZQVORKONRP-FZMZJTMJSA-N 1 0 278.356 -0.209 20 30 CBEDRO COCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001332221350 887159654 /nfs/dbraw/zinc/15/96/54/887159654.db2.gz MITZQRICDLIMPD-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001332221930 887159726 /nfs/dbraw/zinc/15/97/26/887159726.db2.gz QBPZJMSUOTWHTD-NXEZZACHSA-N 1 0 287.310 -0.125 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001332228808 887163845 /nfs/dbraw/zinc/16/38/45/887163845.db2.gz OAHOERHWIYCKBW-UHFFFAOYSA-N 1 0 260.297 -0.525 20 30 CBEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001332288685 887186221 /nfs/dbraw/zinc/18/62/21/887186221.db2.gz UXFQVBGQQBNZNT-CHWSQXEVSA-N 1 0 271.357 -0.093 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001332307046 887194215 /nfs/dbraw/zinc/19/42/15/887194215.db2.gz FMALIWKAXMTZRR-VXGBXAGGSA-N 1 0 291.355 -0.057 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC001332316467 887198344 /nfs/dbraw/zinc/19/83/44/887198344.db2.gz TVLBGKHAVKLCDM-NWDGAFQWSA-N 1 0 295.383 -0.217 20 30 CBEDRO C=CCN(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001332344748 887214713 /nfs/dbraw/zinc/21/47/13/887214713.db2.gz GGWDUAVBFHQSJO-SECBINFHSA-N 1 0 275.299 -0.008 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1(C)C ZINC001332404951 887265019 /nfs/dbraw/zinc/26/50/19/887265019.db2.gz NJWSQHXXUNVHAK-RYUDHWBXSA-N 1 0 292.383 -0.140 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC001332432698 887278446 /nfs/dbraw/zinc/27/84/46/887278446.db2.gz GPMBHLUDRPBIHB-IUODEOHRSA-N 1 0 295.383 -0.277 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1[NH3+] ZINC001332434093 887280871 /nfs/dbraw/zinc/28/08/71/887280871.db2.gz RLQCXYBZVAYWKR-KBVBSXBZSA-N 1 0 268.292 -0.744 20 30 CBEDRO O=C(NCCNC(=O)[C@H]1CCCC[NH2+]1)C1N=CC=CC1=O ZINC001332450223 887288924 /nfs/dbraw/zinc/28/89/24/887288924.db2.gz CXQQAAGMQXDDHB-XUXSRRMHSA-N 1 0 292.339 -0.229 20 30 CBEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C1 ZINC001332463001 887299544 /nfs/dbraw/zinc/29/95/44/887299544.db2.gz SPUCAKDAGUISNT-SRVKXCTJSA-N 1 0 278.356 -0.056 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001332487560 887312950 /nfs/dbraw/zinc/31/29/50/887312950.db2.gz BLCIQBGMLBCHBS-GFCCVEGCSA-N 1 0 264.329 -0.766 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001332487565 887313969 /nfs/dbraw/zinc/31/39/69/887313969.db2.gz BLCIQBGMLBCHBS-LBPRGKRZSA-N 1 0 264.329 -0.766 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CCc1ccnn1C ZINC001332487184 887314606 /nfs/dbraw/zinc/31/46/06/887314606.db2.gz AJAASIBQQXXBGX-YPMHNXCESA-N 1 0 293.371 -0.469 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001332491058 887319061 /nfs/dbraw/zinc/31/90/61/887319061.db2.gz QIVPLBUHGBSHFG-VXGBXAGGSA-N 1 0 296.371 -0.823 20 30 CBEDRO CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001332502670 887323018 /nfs/dbraw/zinc/32/30/18/887323018.db2.gz BYOKNWZFOISGJM-SNVBAGLBSA-N 1 0 250.302 -0.071 20 30 CBEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC#N ZINC001332504212 887325285 /nfs/dbraw/zinc/32/52/85/887325285.db2.gz PJBGATAXJMNSSQ-CHWSQXEVSA-N 1 0 282.388 -0.208 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001332503793 887327035 /nfs/dbraw/zinc/32/70/35/887327035.db2.gz 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298.387 -0.220 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333359008 887607977 /nfs/dbraw/zinc/60/79/77/887607977.db2.gz CAXXFPNKCLMCSA-RVMXOQNASA-N 1 0 295.383 -0.063 20 30 CBEDRO C[C@@H](C#N)OCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001333365203 887610813 /nfs/dbraw/zinc/61/08/13/887610813.db2.gz IFQZUFJNOCUJOZ-WDEREUQCSA-N 1 0 267.329 -0.200 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001333407641 887623831 /nfs/dbraw/zinc/62/38/31/887623831.db2.gz ZOLVUFQOQUHNRU-MNOVXSKESA-N 1 0 269.345 -0.357 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001333407643 887623896 /nfs/dbraw/zinc/62/38/96/887623896.db2.gz ZOLVUFQOQUHNRU-WDEREUQCSA-N 1 0 269.345 -0.357 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)CCC(=O)N1CCC(O)CC1 ZINC001333424632 887632419 /nfs/dbraw/zinc/63/24/19/887632419.db2.gz LDXNDMDWYPSBCA-UHFFFAOYSA-N 1 0 295.383 -0.569 20 30 CBEDRO N#CCCNC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001333464779 887651556 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ZINC001333565248 887694707 /nfs/dbraw/zinc/69/47/07/887694707.db2.gz GFXDZPOFUDMHIT-UHFFFAOYSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)c1ccnn1C ZINC001333571116 887698315 /nfs/dbraw/zinc/69/83/15/887698315.db2.gz OXJNEWULSJFZLR-LLVKDONJSA-N 1 0 252.318 -0.313 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001333609860 887716382 /nfs/dbraw/zinc/71/63/82/887716382.db2.gz BVXPRTIHUNBCOU-FRRDWIJNSA-N 1 0 293.367 -0.710 20 30 CBEDRO C[NH+]1CCN(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001333635007 887729514 /nfs/dbraw/zinc/72/95/14/887729514.db2.gz DMNQXGABXNQTQT-UHFFFAOYSA-N 1 0 278.400 -0.647 20 30 CBEDRO CN(CCC[NH3+])C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001333640075 887731543 /nfs/dbraw/zinc/73/15/43/887731543.db2.gz NQQPQGRWTNDHGC-UHFFFAOYSA-N 1 0 266.345 -0.054 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001333638460 887731575 /nfs/dbraw/zinc/73/15/75/887731575.db2.gz GDKNCPPFBTWHEJ-BKDHPRRPSA-N 1 0 280.303 -0.600 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001333751073 887759016 /nfs/dbraw/zinc/75/90/16/887759016.db2.gz KBJZZOPLQWDWCH-ZJUUUORDSA-N 1 0 260.359 -0.299 20 30 CBEDRO CCO[C@H](CNC(=O)C(=O)NCCCC#N)C[NH+](C)C ZINC001333772974 887767425 /nfs/dbraw/zinc/76/74/25/887767425.db2.gz SGWRXMSVGZNZQD-LLVKDONJSA-N 1 0 284.360 -0.511 20 30 CBEDRO CN(CCc1cccc(C#N)c1)C(=O)C(=O)NCC[NH3+] ZINC001333960953 887821390 /nfs/dbraw/zinc/82/13/90/887821390.db2.gz YXCFMESVGREZRB-UHFFFAOYSA-N 1 0 274.324 -0.366 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333961676 887821685 /nfs/dbraw/zinc/82/16/85/887821685.db2.gz XAFZXYLWRZLEMM-AOOOYVTPSA-N 1 0 269.370 -0.678 20 30 CBEDRO COCCNC(=O)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC001334536879 888263718 /nfs/dbraw/zinc/26/37/18/888263718.db2.gz WIXFKPVPBOQXEO-GFCCVEGCSA-N 1 0 269.345 -0.264 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC001334759905 888312693 /nfs/dbraw/zinc/31/26/93/888312693.db2.gz XYGJTAFRICWYJR-FZMZJTMJSA-N 1 0 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C=CC[C@]1(C(=O)N(C)[C@@H](COC)C(N)=O)CCC[NH2+]1 ZINC001336995226 888946391 /nfs/dbraw/zinc/94/63/91/888946391.db2.gz LQNUQWCGTVAHHL-GXFFZTMASA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CCC[NH+]1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001337289461 888988249 /nfs/dbraw/zinc/98/82/49/888988249.db2.gz NQGKOANEWJPVDC-UHFFFAOYSA-N 1 0 264.329 -0.821 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001337312487 888991403 /nfs/dbraw/zinc/99/14/03/888991403.db2.gz YSPCYIIHPIVGDS-LLVKDONJSA-N 1 0 269.345 -0.355 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001337328481 888994576 /nfs/dbraw/zinc/99/45/76/888994576.db2.gz IZJRIFPYGHMJSL-SNVBAGLBSA-N 1 0 277.328 -0.773 20 30 CBEDRO Cn1cc(C2=NO[C@H](C(=O)NCC#CC[NH+](C)C)C2)cn1 ZINC001337375416 888996758 /nfs/dbraw/zinc/99/67/58/888996758.db2.gz FBQZJKYMFZFFDW-ZDUSSCGKSA-N 1 0 289.339 -0.406 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC001448479890 913305410 /nfs/dbraw/zinc/30/54/10/913305410.db2.gz UNGOUPVQABUZNG-NWDGAFQWSA-N 1 0 256.346 -0.135 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001338260561 889129901 /nfs/dbraw/zinc/12/99/01/889129901.db2.gz FRDYLRJYTHPWAF-VXGBXAGGSA-N 1 0 283.372 -0.252 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC001338290732 889135451 /nfs/dbraw/zinc/13/54/51/889135451.db2.gz FBJXRQSPRICCBZ-WDEREUQCSA-N 1 0 264.329 -0.383 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCc1cnc(OC)nc1 ZINC001338420816 889157412 /nfs/dbraw/zinc/15/74/12/889157412.db2.gz BSKXPNCVBXTLOL-UHFFFAOYSA-N 1 0 262.313 -0.243 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)CC1CC1 ZINC001338481040 889165691 /nfs/dbraw/zinc/16/56/91/889165691.db2.gz BNQRMZUIZNDRRE-QWHCGFSZSA-N 1 0 255.362 -0.057 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001338495484 889167537 /nfs/dbraw/zinc/16/75/37/889167537.db2.gz JEWVADSLPULMHT-ZDUSSCGKSA-N 1 0 297.399 -0.467 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CN(C)CCN1C ZINC001338491320 889168334 /nfs/dbraw/zinc/16/83/34/889168334.db2.gz 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258.318 -0.026 20 30 CBEDRO C=CCCC[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)C(=O)OC ZINC001341110408 889545008 /nfs/dbraw/zinc/54/50/08/889545008.db2.gz WAWQVVYUPBYKCR-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001341260416 889568043 /nfs/dbraw/zinc/56/80/43/889568043.db2.gz ANHRDPYZRVTVQU-CYBMUJFWSA-N 1 0 294.399 -0.732 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 ZINC001341275910 889569103 /nfs/dbraw/zinc/56/91/03/889569103.db2.gz HULUJYMMPLLYQO-NSHDSACASA-N 1 0 284.381 -0.175 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC001341400658 889589765 /nfs/dbraw/zinc/58/97/65/889589765.db2.gz NRVOBPCBLSBYFB-UWVGGRQHSA-N 1 0 258.343 -0.709 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)OC)C[C@H]21 ZINC001341496136 889609733 /nfs/dbraw/zinc/60/97/33/889609733.db2.gz FPBPNAKRVMIEOC-KXNHARMFSA-N 1 0 264.325 -0.087 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CNC(=O)N1CCCC1 ZINC001341748719 889657942 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C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001368469676 896016280 /nfs/dbraw/zinc/01/62/80/896016280.db2.gz IYABDAIKSBKYQT-NNYUYHANSA-N 1 0 278.356 -0.091 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001368547550 896035395 /nfs/dbraw/zinc/03/53/95/896035395.db2.gz IYABDAIKSBKYQT-FIQHERPVSA-N 1 0 278.356 -0.091 20 30 CBEDRO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001368874885 896105176 /nfs/dbraw/zinc/10/51/76/896105176.db2.gz ZJEVQWVIUKSGIM-DTWKUNHWSA-N 1 0 277.328 -0.271 20 30 CBEDRO C=C(Cl)CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001369377647 896246342 /nfs/dbraw/zinc/24/63/42/896246342.db2.gz FTXMOYJYELDBDI-NSHDSACASA-N 1 0 287.791 -0.099 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001369455777 896278256 /nfs/dbraw/zinc/27/82/56/896278256.db2.gz QQIYXSPFGWDNJD-GXSJLCMTSA-N 1 0 291.779 -0.328 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001369489892 896293955 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C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001375684629 897589674 /nfs/dbraw/zinc/58/96/74/897589674.db2.gz JXXGBAFWFWDURV-GFCCVEGCSA-N 1 0 283.372 -0.186 20 30 CBEDRO C=C(Cl)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376288922 897705614 /nfs/dbraw/zinc/70/56/14/897705614.db2.gz HEBKXWSDEIHSQR-NSHDSACASA-N 1 0 287.791 -0.147 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001376437307 897734376 /nfs/dbraw/zinc/73/43/76/897734376.db2.gz DKZWRNLNSXULGM-XHNCKOQMSA-N 1 0 278.316 -0.995 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001376695761 897805886 /nfs/dbraw/zinc/80/58/86/897805886.db2.gz JMWKXRJIKPHPCC-DTWKUNHWSA-N 1 0 277.328 -0.271 20 30 CBEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+][C@H]1CCNC1=O ZINC001376706669 897813108 /nfs/dbraw/zinc/81/31/08/897813108.db2.gz BTUVJKCMYGVJNF-KCJUWKMLSA-N 1 0 275.312 -0.517 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001376786404 897842282 /nfs/dbraw/zinc/84/22/82/897842282.db2.gz SAYDBAMQPPERLT-JTQLQIEISA-N 1 0 288.779 -0.735 20 30 CBEDRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)c1cc(C#N)c[nH]1 ZINC001377583838 898094487 /nfs/dbraw/zinc/09/44/87/898094487.db2.gz BAUSFLUXHLYQIE-NSHDSACASA-N 1 0 289.339 -0.173 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001377593711 898103742 /nfs/dbraw/zinc/10/37/42/898103742.db2.gz KKHFXTQERZAENQ-ZJUUUORDSA-N 1 0 295.343 -0.688 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CC(C[NH2+]Cc2cnn(C)n2)C1 ZINC001377692894 898118541 /nfs/dbraw/zinc/11/85/41/898118541.db2.gz WRCDAFHRMSYVFC-KPPDAEKUSA-N 1 0 276.344 -0.041 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001377751652 898129408 /nfs/dbraw/zinc/12/94/08/898129408.db2.gz IXWIDFCFCXEXPG-IUCAKERBSA-N 1 0 272.740 -0.092 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CS(=O)(=O)NC ZINC001378330765 898317197 /nfs/dbraw/zinc/31/71/97/898317197.db2.gz DLXKBCNMXZATHC-SECBINFHSA-N 1 0 297.808 -0.228 20 30 CBEDRO C[C@@H](CNC(=O)[C@@H](C)C#N)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378564400 898355844 /nfs/dbraw/zinc/35/58/44/898355844.db2.gz YBMUGOASWYODHQ-BDAKNGLRSA-N 1 0 280.332 -0.890 20 30 CBEDRO CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1nnnn1C ZINC001378935803 898434025 /nfs/dbraw/zinc/43/40/25/898434025.db2.gz IZGQMIMDYVCDFC-WDEREUQCSA-N 1 0 293.375 -0.010 20 30 CBEDRO CN(C(=O)c1c[nH]c(C#N)c1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001378997353 898441061 /nfs/dbraw/zinc/44/10/61/898441061.db2.gz MFCGLMHWAWDQHH-GFCCVEGCSA-N 1 0 289.339 -0.188 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001379091495 898461186 /nfs/dbraw/zinc/46/11/86/898461186.db2.gz GXTBLKOVVPUPGG-GXFFZTMASA-N 1 0 294.355 -0.056 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cccnn1 ZINC001379256942 898524767 /nfs/dbraw/zinc/52/47/67/898524767.db2.gz KELAOFMBSAUFLS-SECBINFHSA-N 1 0 270.720 -0.091 20 30 CBEDRO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001379349444 898563902 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C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@H]1CCNC1=O ZINC001381187056 899009376 /nfs/dbraw/zinc/00/93/76/899009376.db2.gz STRPHQWRINTELP-CABZTGNLSA-N 1 0 289.339 -0.127 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001381185685 899009632 /nfs/dbraw/zinc/00/96/32/899009632.db2.gz CTTIXFCVTPEAHK-GWCFXTLKSA-N 1 0 294.355 -0.008 20 30 CBEDRO CCCC[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)C#N ZINC001381737227 899109061 /nfs/dbraw/zinc/10/90/61/899109061.db2.gz AYHNOVINKVFECK-NXEZZACHSA-N 1 0 297.359 -0.394 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001382049676 899146507 /nfs/dbraw/zinc/14/65/07/899146507.db2.gz WMBZWQXSOFDVKF-SECBINFHSA-N 1 0 272.740 -0.138 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CS(=O)(=O)NC ZINC001382167047 899170337 /nfs/dbraw/zinc/17/03/37/899170337.db2.gz HBEJLTUGAAUNBW-SECBINFHSA-N 1 0 297.808 -0.275 20 30 CBEDRO CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001382181714 899177947 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CBEDRO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001390591088 900194524 /nfs/dbraw/zinc/19/45/24/900194524.db2.gz FYLGDGJWTSGXIA-ZJUUUORDSA-N 1 0 286.763 -0.142 20 30 CBEDRO CC[N@H+](CCNC(=O)c1c[nH]c(C#N)c1)C[C@H](O)COC ZINC001390899501 900278579 /nfs/dbraw/zinc/27/85/79/900278579.db2.gz IMNXOLYBFBCHCN-ZDUSSCGKSA-N 1 0 294.355 -0.055 20 30 CBEDRO CC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCNC1=O ZINC001390914138 900281956 /nfs/dbraw/zinc/28/19/56/900281956.db2.gz YZEQGSOSCMVROB-GFCCVEGCSA-N 1 0 289.339 -0.173 20 30 CBEDRO C[C@@](C[NH2+]CC(N)=O)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001391789357 900447078 /nfs/dbraw/zinc/44/70/78/900447078.db2.gz TWFOUNAYURPISL-AWEZNQCLSA-N 1 0 289.339 -0.140 20 30 CBEDRO C[C@](C[NH2+]CC(N)=O)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001391789366 900448092 /nfs/dbraw/zinc/44/80/92/900448092.db2.gz TWFOUNAYURPISL-CQSZACIVSA-N 1 0 289.339 -0.140 20 30 CBEDRO COCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001392345817 900573206 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CN(CC(N)=O)C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001393865559 900920931 /nfs/dbraw/zinc/92/09/31/900920931.db2.gz BCQPUMMMHPXVRY-NSHDSACASA-N 1 0 289.339 -0.092 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001397349876 901389010 /nfs/dbraw/zinc/38/90/10/901389010.db2.gz XSQZRTYSVQQZIN-FHUSYTEZSA-N 1 0 290.367 -0.329 20 30 CBEDRO CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1C[NH2+]CC(=O)NC ZINC001397734321 901447475 /nfs/dbraw/zinc/44/74/75/901447475.db2.gz AMWYJFMHIUZXLF-IJLUTSLNSA-N 1 0 296.371 -0.655 20 30 CBEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001398561875 901560580 /nfs/dbraw/zinc/56/05/80/901560580.db2.gz UPORNZWQOYFKQZ-KYZUINATSA-N 1 0 295.792 -0.475 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001398616393 901576678 /nfs/dbraw/zinc/57/66/78/901576678.db2.gz ZLADFEVNLSZIEV-INTQDDNPSA-N 1 0 289.339 -0.129 20 30 CBEDRO C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)[NH2+][C@@H](C)C(N)=O ZINC001399323350 901698680 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COC[C@@H](O)C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001400467522 901947059 /nfs/dbraw/zinc/94/70/59/901947059.db2.gz UOIOLJULNPPCNQ-ZDUSSCGKSA-N 1 0 292.339 -0.445 20 30 CBEDRO N#Cc1cc(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)c[nH]1 ZINC001401494541 902137790 /nfs/dbraw/zinc/13/77/90/902137790.db2.gz ISLZKDGQZIONEZ-MFKMUULPSA-N 1 0 292.339 -0.397 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001401492665 902138311 /nfs/dbraw/zinc/13/83/11/902138311.db2.gz QOYOGDXJOZGMTB-NXEZZACHSA-N 1 0 278.736 -0.779 20 30 CBEDRO N#Cc1cc(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)c[nH]1 ZINC001401494545 902138593 /nfs/dbraw/zinc/13/85/93/902138593.db2.gz ISLZKDGQZIONEZ-ZWNOBZJWSA-N 1 0 292.339 -0.397 20 30 CBEDRO COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001401496528 902141453 /nfs/dbraw/zinc/14/14/53/902141453.db2.gz AGLNQWUPZBJCQW-KOLCDFICSA-N 1 0 280.328 -0.398 20 30 CBEDRO COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001401509074 902148594 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N#Cc1ccc(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)[nH]1 ZINC001401825029 902285862 /nfs/dbraw/zinc/28/58/62/902285862.db2.gz DDJOMAYSXNEPFP-LLVKDONJSA-N 1 0 275.312 -0.530 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cnnn1C)C1CC1 ZINC001401844218 902287364 /nfs/dbraw/zinc/28/73/64/902287364.db2.gz UEDYGQUESNOGAD-SKDRFNHKSA-N 1 0 276.344 -0.041 20 30 CBEDRO COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CCOCC1 ZINC001402222218 902386289 /nfs/dbraw/zinc/38/62/89/902386289.db2.gz QBBFTNZOMIZBKP-NWDGAFQWSA-N 1 0 299.371 -0.592 20 30 CBEDRO COCC[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001402260185 902395007 /nfs/dbraw/zinc/39/50/07/902395007.db2.gz DBPHJKKSCXPSAZ-AWEZNQCLSA-N 1 0 292.339 -0.301 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]([NH2+]CCS(C)(=O)=O)C1CC1 ZINC001402262358 902401731 /nfs/dbraw/zinc/40/17/31/902401731.db2.gz MHFQAKGJFMDBRN-KOLCDFICSA-N 1 0 287.385 -0.325 20 30 CBEDRO C[NH+]1CCN(CCNc2cnc(C#N)c(C#N)n2)CC1 ZINC001458080553 914624167 /nfs/dbraw/zinc/62/41/67/914624167.db2.gz 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253.306 -0.929 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001482745631 917247579 /nfs/dbraw/zinc/24/75/79/917247579.db2.gz TVLJJPVTTZYMAY-WDEREUQCSA-N 1 0 269.345 -0.845 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1nc(C)cc1C ZINC001482752855 917250430 /nfs/dbraw/zinc/25/04/30/917250430.db2.gz FANWVEXUMSNYRR-CQSZACIVSA-N 1 0 292.383 -0.020 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1nccn1C ZINC001482752897 917251062 /nfs/dbraw/zinc/25/10/62/917251062.db2.gz OBRVQHNQJBIZSC-NSHDSACASA-N 1 0 264.329 -0.947 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC)CCC1 ZINC001482763794 917259810 /nfs/dbraw/zinc/25/98/10/917259810.db2.gz BJSHYMNBRWTRKC-NEPJUHHUSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001482760405 917260652 /nfs/dbraw/zinc/26/06/52/917260652.db2.gz NNIXJPSEWQRDMV-VHSXEESVSA-N 1 0 289.763 -0.716 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482764499 917264440 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C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001482796799 917287397 /nfs/dbraw/zinc/28/73/97/917287397.db2.gz DQBKGNIYRPYEMQ-OLZOCXBDSA-N 1 0 285.388 -0.650 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001482792155 917287752 /nfs/dbraw/zinc/28/77/52/917287752.db2.gz GIMXWDGPLXYCLY-OLZOCXBDSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)CC ZINC001482797555 917287808 /nfs/dbraw/zinc/28/78/08/917287808.db2.gz AWQHINWZCQKNTP-JTQLQIEISA-N 1 0 278.374 -0.936 20 30 CBEDRO C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)CNCC#N)c1 ZINC001482797828 917290720 /nfs/dbraw/zinc/29/07/20/917290720.db2.gz CNCVERXOKVCAOW-AWEZNQCLSA-N 1 0 290.367 -0.048 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)CNC(C)=O ZINC001482806406 917293830 /nfs/dbraw/zinc/29/38/30/917293830.db2.gz YMLLHMYTJOONEE-LLVKDONJSA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001482802980 917294198 /nfs/dbraw/zinc/29/41/98/917294198.db2.gz XXGPRUNAMASKDV-RISCZKNCSA-N 1 0 281.356 -0.865 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001482824177 917301337 /nfs/dbraw/zinc/30/13/37/917301337.db2.gz RIPLYEYOQPPUNZ-LLVKDONJSA-N 1 0 293.371 -0.180 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]Cc1ncnn1C ZINC001482818285 917301423 /nfs/dbraw/zinc/30/14/23/917301423.db2.gz MPFPOXCBKPCAOG-ZJUUUORDSA-N 1 0 264.333 -0.041 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001482832012 917306129 /nfs/dbraw/zinc/30/61/29/917306129.db2.gz RPXBPJMWAGQFDW-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001482841348 917309356 /nfs/dbraw/zinc/30/93/56/917309356.db2.gz FKJPAVQLRSLUCD-LLVKDONJSA-N 1 0 276.340 -0.098 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001482880962 917322639 /nfs/dbraw/zinc/32/26/39/917322639.db2.gz YXUUVNHDRXIDMM-LLVKDONJSA-N 1 0 294.355 -0.403 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)c1cnon1 ZINC001482885211 917325727 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917351581 /nfs/dbraw/zinc/35/15/81/917351581.db2.gz LOAJSKIWYXWQBN-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCO1 ZINC001482982631 917356594 /nfs/dbraw/zinc/35/65/94/917356594.db2.gz PMFJBJGESSUXLJ-FMBMQGQPSA-N 1 0 280.328 -0.933 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCO1 ZINC001482982628 917356893 /nfs/dbraw/zinc/35/68/93/917356893.db2.gz PMFJBJGESSUXLJ-BVBSBALXSA-N 1 0 280.328 -0.933 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)CC(F)(F)F ZINC001482987208 917358831 /nfs/dbraw/zinc/35/88/31/917358831.db2.gz OUZDYGAUZUDENT-ARJAWSKDSA-N 1 0 291.273 -0.050 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CCOC1 ZINC001482994777 917362695 /nfs/dbraw/zinc/36/26/95/917362695.db2.gz QDXKPTOCOBLPHD-SCOBNMCVSA-N 1 0 293.367 -0.576 20 30 CBEDRO COC[C@H](O)C[NH2+]C/C=C\CNC(=O)c1ccc(C#N)[nH]1 ZINC001482999504 917362750 /nfs/dbraw/zinc/36/27/50/917362750.db2.gz KHYAITMVSGPPOV-ZZKXABKFSA-N 1 0 292.339 -0.231 20 30 CBEDRO C[C@H](C#N)C(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001482991952 917363364 /nfs/dbraw/zinc/36/33/64/917363364.db2.gz URGGLTIEEAOJSV-WUNPDAOYSA-N 1 0 264.329 -0.313 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCCO1 ZINC001482996560 917364769 /nfs/dbraw/zinc/36/47/69/917364769.db2.gz FFEDYQAGGXPNRP-ZZKXABKFSA-N 1 0 294.355 -0.543 20 30 CBEDRO COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001482990763 917365262 /nfs/dbraw/zinc/36/52/62/917365262.db2.gz HIFCSHMBGFIEHO-SEUFLZDSSA-N 1 0 255.318 -0.585 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)C[C@@H]1COC(=O)C1 ZINC001482997209 917366554 /nfs/dbraw/zinc/36/65/54/917366554.db2.gz MBWTVKBRGHAVGR-IBUXWKBASA-N 1 0 294.351 -0.149 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)c1ncc[nH]1 ZINC001483005789 917370294 /nfs/dbraw/zinc/37/02/94/917370294.db2.gz GHNIIMTVPCXHFJ-WYGGZMRJSA-N 1 0 291.355 -0.024 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001483026845 917376796 /nfs/dbraw/zinc/37/67/96/917376796.db2.gz RSTPZRCKRGGFJW-XUIVZRPNSA-N 1 0 272.370 -0.295 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)S(C)(=O)=O ZINC001483026844 917377917 /nfs/dbraw/zinc/37/79/17/917377917.db2.gz RSTPZRCKRGGFJW-MLRMMBSGSA-N 1 0 272.370 -0.295 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccn(C)c(=O)c1 ZINC001483026754 917378755 /nfs/dbraw/zinc/37/87/55/917378755.db2.gz QLZQNXNWGMJZOV-SNAWJCMRSA-N 1 0 259.309 -0.106 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001483026843 917379901 /nfs/dbraw/zinc/37/99/01/917379901.db2.gz RSTPZRCKRGGFJW-JMEBYUIHSA-N 1 0 272.370 -0.295 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001483065006 917397198 /nfs/dbraw/zinc/39/71/98/917397198.db2.gz OGOJWWUCBLTIQA-MLRMMBSGSA-N 1 0 287.385 -0.791 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cncc(OC)n1 ZINC001483068325 917397660 /nfs/dbraw/zinc/39/76/60/917397660.db2.gz SYVWJOPEHLIZEL-SNAWJCMRSA-N 1 0 260.297 -0.006 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)nc1 ZINC001483083304 917405006 /nfs/dbraw/zinc/40/50/06/917405006.db2.gz HDVWDMOCXFSINE-XGACYXMMSA-N 1 0 298.346 -0.173 20 30 CBEDRO C=CC[NH2+]C/C=C/CNC(=O)Cn1nc(C)n(C)c1=O ZINC001483089390 917405481 /nfs/dbraw/zinc/40/54/81/917405481.db2.gz WUTWMJJBUMXBAE-AATRIKPKSA-N 1 0 279.344 -0.662 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCOC1 ZINC001483114528 917411740 /nfs/dbraw/zinc/41/17/40/917411740.db2.gz LZHGBCKKIJGJQA-MNOVXSKESA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cocn1 ZINC001483114229 917413233 /nfs/dbraw/zinc/41/32/33/917413233.db2.gz GBDIQLMBWHBORN-SECBINFHSA-N 1 0 264.285 -0.868 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC1CCOCC1 ZINC001483116996 917417069 /nfs/dbraw/zinc/41/70/69/917417069.db2.gz YRWYYDQEPGVUSY-LLVKDONJSA-N 1 0 296.371 -0.463 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC1(C)C ZINC001483122033 917421959 /nfs/dbraw/zinc/42/19/59/917421959.db2.gz RFXVFXQQDBCNEK-ZJUUUORDSA-N 1 0 266.345 -0.233 20 30 CBEDRO 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C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)=O)CCO1 ZINC001485632681 918158105 /nfs/dbraw/zinc/15/81/05/918158105.db2.gz JZRWRWQTUIUUCB-WCQYABFASA-N 1 0 283.372 -0.144 20 30 CBEDRO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001485638476 918160462 /nfs/dbraw/zinc/16/04/62/918160462.db2.gz ZAKIPGKIRJORST-ZWNOBZJWSA-N 1 0 292.339 -0.302 20 30 CBEDRO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(C)=O)C[C@@H]2C1 ZINC001485653680 918162432 /nfs/dbraw/zinc/16/24/32/918162432.db2.gz KETDHHHRURKZAO-MJBXVCDLSA-N 1 0 277.368 -0.028 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(C(=O)NC)CC2)CCO1 ZINC001485645261 918164024 /nfs/dbraw/zinc/16/40/24/918164024.db2.gz DSTZTHZBCLJKCZ-VXGBXAGGSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001485697739 918171863 /nfs/dbraw/zinc/17/18/63/918171863.db2.gz RTZXPKDXVMGSTG-GUBZILKMSA-N 1 0 280.328 -0.745 20 30 CBEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001485739516 918177274 /nfs/dbraw/zinc/17/72/74/918177274.db2.gz UWERYVSTLQWLER-AXFHLTTASA-N 1 0 251.330 -0.385 20 30 CBEDRO CNC(=O)NCC(=O)N[C@H](C)CCC[NH2+]CC#CCOC ZINC001485724244 918177890 /nfs/dbraw/zinc/17/78/90/918177890.db2.gz NBRXYBQVVBVQSV-GFCCVEGCSA-N 1 0 298.387 -0.560 20 30 CBEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001485750641 918181854 /nfs/dbraw/zinc/18/18/54/918181854.db2.gz YNLNVQGBLOAVBT-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)Cn1ccnc1 ZINC001485776261 918185456 /nfs/dbraw/zinc/18/54/56/918185456.db2.gz QFPRZWPFHAXVEW-UHFFFAOYSA-N 1 0 264.329 -0.419 20 30 CBEDRO C#CCC[N@@H+](C)CCOCCNC(=O)c1cnn(C)c1N ZINC001485772469 918188227 /nfs/dbraw/zinc/18/82/27/918188227.db2.gz HDYHKZFIZZRVPF-UHFFFAOYSA-N 1 0 293.371 -0.296 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(C)C ZINC001485790370 918192422 /nfs/dbraw/zinc/19/24/22/918192422.db2.gz WPUSOTSOAYFLCU-MNOVXSKESA-N 1 0 294.355 -0.662 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001485842447 918202017 /nfs/dbraw/zinc/20/20/17/918202017.db2.gz IYQJEGNGCXBDSF-QWRGUYRKSA-N 1 0 298.387 -0.750 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1ccon1 ZINC001485859365 918211991 /nfs/dbraw/zinc/21/19/91/918211991.db2.gz WTNBJYSYLLRPFV-NSHDSACASA-N 1 0 292.339 -0.597 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001485860472 918215078 /nfs/dbraw/zinc/21/50/78/918215078.db2.gz AYHHTKSDKPSPFC-VXGBXAGGSA-N 1 0 255.362 -0.061 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001485897724 918223340 /nfs/dbraw/zinc/22/33/40/918223340.db2.gz ZQHLGVWYVZXHFG-SNVBAGLBSA-N 1 0 278.312 -0.981 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001485894780 918223688 /nfs/dbraw/zinc/22/36/88/918223688.db2.gz VMCJMHJQKKYRFW-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001485915297 918227165 /nfs/dbraw/zinc/22/71/65/918227165.db2.gz VUWCCNLSEHIQJD-NEPJUHHUSA-N 1 0 289.383 -0.010 20 30 CBEDRO C=C1CC(C)(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001485920942 918229289 /nfs/dbraw/zinc/22/92/89/918229289.db2.gz OMTSPZJJNHEQGX-SNVBAGLBSA-N 1 0 296.371 -0.026 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CCCS(N)(=O)=O ZINC001485917923 918231490 /nfs/dbraw/zinc/23/14/90/918231490.db2.gz ULGDWUDLJIPXOG-JTQLQIEISA-N 1 0 277.390 -0.322 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001485916839 918232448 /nfs/dbraw/zinc/23/24/48/918232448.db2.gz YVRJHHCIGJFZJV-JTQLQIEISA-N 1 0 262.313 -0.157 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1nc2ncccn2n1 ZINC001485934798 918234417 /nfs/dbraw/zinc/23/44/17/918234417.db2.gz RDJGYUSISCLDDB-JTQLQIEISA-N 1 0 272.312 -0.192 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)c1nccnc1C(N)=O ZINC001485954267 918238080 /nfs/dbraw/zinc/23/80/80/918238080.db2.gz MYHXQNQETPBODK-SECBINFHSA-N 1 0 277.328 -0.188 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001485955568 918238662 /nfs/dbraw/zinc/23/86/62/918238662.db2.gz NHXSBFBDJMQXMM-VIFPVBQESA-N 1 0 262.313 -0.203 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C1(C(=O)NC)CCC1 ZINC001485947497 918241744 /nfs/dbraw/zinc/24/17/44/918241744.db2.gz KUXBUUZQYPCSNI-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnsn1 ZINC001485976543 918262047 /nfs/dbraw/zinc/26/20/47/918262047.db2.gz HIXJPTJSOYNHOB-QMMMGPOBSA-N 1 0 254.315 -0.758 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCOC(C)C ZINC001485974960 918262342 /nfs/dbraw/zinc/26/23/42/918262342.db2.gz AXCIGWJIMSJCCP-LBPRGKRZSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)/C=C(/C)C1CC1 ZINC001485978390 918265861 /nfs/dbraw/zinc/26/58/61/918265861.db2.gz YXBGBRWUTFRQES-LWMSPQMPSA-N 1 0 293.367 -0.841 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C ZINC001485983697 918276973 /nfs/dbraw/zinc/27/69/73/918276973.db2.gz VFHMADQRXAIPJV-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CO[C@@H](C)CC ZINC001485986520 918278746 /nfs/dbraw/zinc/27/87/46/918278746.db2.gz DCLMUIHAKFELFW-NWDGAFQWSA-N 1 0 256.346 -0.109 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nccc(C)n1 ZINC001485990596 918283752 /nfs/dbraw/zinc/28/37/52/918283752.db2.gz IUKXUHSGYYXKOO-LLVKDONJSA-N 1 0 262.313 -0.511 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1nccn1CC ZINC001485991852 918285841 /nfs/dbraw/zinc/28/58/41/918285841.db2.gz ZVRFCZUMPFXJAC-SNVBAGLBSA-N 1 0 252.318 -0.231 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1ccnn1C ZINC001485999928 918292782 /nfs/dbraw/zinc/29/27/82/918292782.db2.gz ICANNHAVOPOEQQ-LBPRGKRZSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccn(CC(C)C)n1 ZINC001486000312 918293377 /nfs/dbraw/zinc/29/33/77/918293377.db2.gz PKLVCODPTYUDKE-LBPRGKRZSA-N 1 0 278.356 -0.147 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001485999891 918293585 /nfs/dbraw/zinc/29/35/85/918293585.db2.gz HLOBIBUOSHTROU-RYUDHWBXSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001486002057 918295019 /nfs/dbraw/zinc/29/50/19/918295019.db2.gz NROHCMSLOQIKIX-LBPRGKRZSA-N 1 0 289.335 -0.022 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCc1cnn(C)c1C ZINC001486001079 918296399 /nfs/dbraw/zinc/29/63/99/918296399.db2.gz YCOXGAQYYUGCDU-AWEZNQCLSA-N 1 0 292.383 -0.249 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)ncn1C ZINC001486003974 918298148 /nfs/dbraw/zinc/29/81/48/918298148.db2.gz DBFJHCAWCJLEDX-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccn(C)c(=O)c1 ZINC001486008548 918302087 /nfs/dbraw/zinc/30/20/87/918302087.db2.gz KOZYIHABLXKQEU-LBPRGKRZSA-N 1 0 277.324 -0.911 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001486006942 918303615 /nfs/dbraw/zinc/30/36/15/918303615.db2.gz WNVFQGPCQCMTPM-VIFPVBQESA-N 1 0 268.317 -0.320 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)CN1CCCNC1=O ZINC001486011075 918304204 /nfs/dbraw/zinc/30/42/04/918304204.db2.gz JLHLTQQCNAAFAV-LBPRGKRZSA-N 1 0 298.387 -0.565 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001486013984 918307294 /nfs/dbraw/zinc/30/72/94/918307294.db2.gz ISDIHSLPYWILBS-SECBINFHSA-N 1 0 279.296 -0.918 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001486013927 918307936 /nfs/dbraw/zinc/30/79/36/918307936.db2.gz IGUXEXDYPFKRLM-SNVBAGLBSA-N 1 0 280.328 -0.258 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1nccn1C ZINC001486020223 918310616 /nfs/dbraw/zinc/31/06/16/918310616.db2.gz UGSMLSVPCKEDSH-LBPRGKRZSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(C2CC2)on1 ZINC001486021395 918312067 /nfs/dbraw/zinc/31/20/67/918312067.db2.gz VYRKBMTUYJBULP-JTQLQIEISA-N 1 0 263.297 -0.135 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCc1nccn1C ZINC001486020221 918312397 /nfs/dbraw/zinc/31/23/97/918312397.db2.gz UGSMLSVPCKEDSH-GFCCVEGCSA-N 1 0 280.372 -0.005 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001486023294 918313744 /nfs/dbraw/zinc/31/37/44/918313744.db2.gz BQYUVDKRMJMENS-DTWKUNHWSA-N 1 0 257.334 -0.861 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccc2c[nH]nc21 ZINC001486022794 918315447 /nfs/dbraw/zinc/31/54/47/918315447.db2.gz JPLVGDJVTDMFHT-NSHDSACASA-N 1 0 272.308 -0.124 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486023916 918315654 /nfs/dbraw/zinc/31/56/54/918315654.db2.gz XDYSVSJVYMXFKI-MNOVXSKESA-N 1 0 284.360 -0.957 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001486023918 918315699 /nfs/dbraw/zinc/31/56/99/918315699.db2.gz XDYSVSJVYMXFKI-WDEREUQCSA-N 1 0 284.360 -0.957 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)CCC1 ZINC001486032832 918326431 /nfs/dbraw/zinc/32/64/31/918326431.db2.gz UMBJTJQQUOWCPE-LBPRGKRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001486032532 918327448 /nfs/dbraw/zinc/32/74/48/918327448.db2.gz RRULTDOQLIVPBY-OLZOCXBDSA-N 1 0 295.383 -0.312 20 30 CBEDRO CCc1ncoc1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001486033412 918327707 /nfs/dbraw/zinc/32/77/07/918327707.db2.gz IIIZQVFFWSQDDJ-LLVKDONJSA-N 1 0 295.339 -0.433 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(=O)n1C ZINC001486032810 918329089 /nfs/dbraw/zinc/32/90/89/918329089.db2.gz DHTHSLZABAFEAL-LLVKDONJSA-N 1 0 277.324 -0.911 20 30 CBEDRO C[C@H](C(=O)NC[C@H](CO)NCC#N)[NH+]1CCCCCC1 ZINC001486041167 918333373 /nfs/dbraw/zinc/33/33/73/918333373.db2.gz LHMBOLWSQZIEQZ-CHWSQXEVSA-N 1 0 282.388 -0.159 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001486039804 918334543 /nfs/dbraw/zinc/33/45/43/918334543.db2.gz LRJCVUNCCFCPQU-ZDUSSCGKSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1nc2ncccn2n1 ZINC001486045341 918336139 /nfs/dbraw/zinc/33/61/39/918336139.db2.gz ZMZAFPWOKOSSRV-SNVBAGLBSA-N 1 0 290.327 -0.619 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001486043984 918336360 /nfs/dbraw/zinc/33/63/60/918336360.db2.gz UXVMHMVSEHELMZ-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(CCC)on1 ZINC001486048579 918342835 /nfs/dbraw/zinc/34/28/35/918342835.db2.gz ONSJLQDFMDDUSG-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001486051153 918344686 /nfs/dbraw/zinc/34/46/86/918344686.db2.gz WKQLUSMTGMXSJI-NEPJUHHUSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001486049750 918346427 /nfs/dbraw/zinc/34/64/27/918346427.db2.gz HXCSJQPMHAWXMY-JQWIXIFHSA-N 1 0 276.340 -0.786 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCOC)nc1 ZINC001486055188 918349296 /nfs/dbraw/zinc/34/92/96/918349296.db2.gz JFSCJDGQQHKJDI-LBPRGKRZSA-N 1 0 277.324 -0.610 20 30 CBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(F)F ZINC001486068951 918353114 /nfs/dbraw/zinc/35/31/14/918353114.db2.gz BUBMXIVGPMSJAS-SFYZADRCSA-N 1 0 274.271 -0.530 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001486066251 918353815 /nfs/dbraw/zinc/35/38/15/918353815.db2.gz QGGGTMHWNBEAQT-OCCSQVGLSA-N 1 0 295.383 -0.667 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001486068775 918354116 /nfs/dbraw/zinc/35/41/16/918354116.db2.gz YVQBKLIPROYZLU-QWRGUYRKSA-N 1 0 284.360 -0.828 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN(C)c1ccccc1 ZINC001486065284 918355938 /nfs/dbraw/zinc/35/59/38/918355938.db2.gz HHUVYPNCBQCHML-ZDUSSCGKSA-N 1 0 275.352 -0.177 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1cn(C)nn1 ZINC001486068310 918356365 /nfs/dbraw/zinc/35/63/65/918356365.db2.gz SRJBMZCZBHGEQP-LBPRGKRZSA-N 1 0 281.360 -0.610 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001486082206 918359305 /nfs/dbraw/zinc/35/93/05/918359305.db2.gz YBUQOEMUHHJRIX-MNOVXSKESA-N 1 0 266.345 -0.482 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001486073438 918359944 /nfs/dbraw/zinc/35/99/44/918359944.db2.gz BEQNEGLOTFNREU-WDEREUQCSA-N 1 0 272.370 -0.367 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC001486087759 918363992 /nfs/dbraw/zinc/36/39/92/918363992.db2.gz ODVPUIZDMLRBSI-OLZOCXBDSA-N 1 0 292.383 -0.980 20 30 CBEDRO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CSCC#N ZINC001486099524 918365194 /nfs/dbraw/zinc/36/51/94/918365194.db2.gz CHXBTTWQJQNNIV-ZJUUUORDSA-N 1 0 257.359 -0.186 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COCCC)C1 ZINC001486109859 918366390 /nfs/dbraw/zinc/36/63/90/918366390.db2.gz XXRVQSWIUWQREF-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001486104344 918367608 /nfs/dbraw/zinc/36/76/08/918367608.db2.gz KVTUCPUQUHODIM-NWDGAFQWSA-N 1 0 283.372 -0.144 20 30 CBEDRO C#CCOCCC(=O)N1C[C@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001486108687 918369163 /nfs/dbraw/zinc/36/91/63/918369163.db2.gz KDMSBOHVLIQFMF-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001486122996 918372109 /nfs/dbraw/zinc/37/21/09/918372109.db2.gz WLXQDCDKKRUPAI-QWRGUYRKSA-N 1 0 274.324 -0.014 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001486180450 918378961 /nfs/dbraw/zinc/37/89/61/918378961.db2.gz MSVHXXYRLMOCKK-GHMZBOCLSA-N 1 0 263.341 -0.146 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001486195113 918381196 /nfs/dbraw/zinc/38/11/96/918381196.db2.gz KRTMULSZBQARPL-MNOVXSKESA-N 1 0 298.412 -0.136 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001486206983 918382120 /nfs/dbraw/zinc/38/21/20/918382120.db2.gz JFGKBEAADWJKCK-QWRGUYRKSA-N 1 0 276.344 -0.279 20 30 CBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001486229640 918383981 /nfs/dbraw/zinc/38/39/81/918383981.db2.gz XOZLQAVEKAMZGB-LLVKDONJSA-N 1 0 283.372 -0.238 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)C[C@H](C)NC(N)=O)CC1(C)C ZINC001486231278 918385761 /nfs/dbraw/zinc/38/57/61/918385761.db2.gz KKFCEMMCWZJAFO-QWRGUYRKSA-N 1 0 280.372 -0.107 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1CCC1 ZINC001486255050 918390197 /nfs/dbraw/zinc/39/01/97/918390197.db2.gz BWWXLRANPXFIIG-AAEUAGOBSA-N 1 0 295.383 -0.667 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486259606 918393791 /nfs/dbraw/zinc/39/37/91/918393791.db2.gz GMHPNPLGNDMVSA-JTQLQIEISA-N 1 0 280.328 -0.219 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(C)C ZINC001486261910 918398932 /nfs/dbraw/zinc/39/89/32/918398932.db2.gz OMNLFRCSFGWQSW-NEPJUHHUSA-N 1 0 283.372 -0.811 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ncccc1O ZINC001486271352 918400851 /nfs/dbraw/zinc/40/08/51/918400851.db2.gz BVKNDXSPBFFFJE-JTQLQIEISA-N 1 0 265.313 -0.004 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001486275034 918404916 /nfs/dbraw/zinc/40/49/16/918404916.db2.gz OHWKMGWWNGDHLJ-DZGCQCFKSA-N 1 0 298.383 -0.628 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001486275531 918406112 /nfs/dbraw/zinc/40/61/12/918406112.db2.gz QQNZPRNTNIYALN-QWHCGFSZSA-N 1 0 297.399 -0.325 20 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SIVDTAPZUMBFIJ-LBPRGKRZSA-N 1 0 256.346 -0.419 20 30 CBEDRO C=CCCCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001486296250 918414647 /nfs/dbraw/zinc/41/46/47/918414647.db2.gz UTCOZYWSEUGQRC-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001486296821 918414689 /nfs/dbraw/zinc/41/46/89/918414689.db2.gz XULRZVVDASRDTE-WCQYABFASA-N 1 0 272.320 -0.453 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001486297490 918415699 /nfs/dbraw/zinc/41/56/99/918415699.db2.gz SYWCBPNWWGBXJX-SRVKXCTJSA-N 1 0 283.372 -0.647 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1cn[nH]n1 ZINC001486300711 918417831 /nfs/dbraw/zinc/41/78/31/918417831.db2.gz GFZAGXUNALRDIR-LBPRGKRZSA-N 1 0 281.360 -0.278 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](NC(C)=O)C(C)C ZINC001486311015 918418989 /nfs/dbraw/zinc/41/89/89/918418989.db2.gz BLAQGWUBEZKSRY-UONOGXRCSA-N 1 0 297.399 -0.421 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001486310459 918419281 /nfs/dbraw/zinc/41/92/81/918419281.db2.gz WVKFDFXRGNGKEG-YPMHNXCESA-N 1 0 290.367 -0.443 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1oncc1C ZINC001486308131 918420549 /nfs/dbraw/zinc/42/05/49/918420549.db2.gz LGMDEPVBEOFILD-LBPRGKRZSA-N 1 0 295.339 -0.345 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001486315768 918423932 /nfs/dbraw/zinc/42/39/32/918423932.db2.gz NAGKQBQGLXHHBH-LLVKDONJSA-N 1 0 294.355 -0.621 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001486311389 918424075 /nfs/dbraw/zinc/42/40/75/918424075.db2.gz IINAGGKMIYBYOT-GFCCVEGCSA-N 1 0 293.367 -0.016 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001486313843 918424235 /nfs/dbraw/zinc/42/42/35/918424235.db2.gz YDCQGRMUXZLDDR-LLVKDONJSA-N 1 0 277.324 -0.959 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001486323602 918426186 /nfs/dbraw/zinc/42/61/86/918426186.db2.gz DIQHSCNTJGVMGV-GFCCVEGCSA-N 1 0 279.344 -0.948 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(F)F ZINC001486321924 918428647 /nfs/dbraw/zinc/42/86/47/918428647.db2.gz VZHDKVOCAPOUPJ-JTQLQIEISA-N 1 0 278.299 -0.348 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001486328212 918430679 /nfs/dbraw/zinc/43/06/79/918430679.db2.gz WPNZVEWTWWAFAL-LBPRGKRZSA-N 1 0 278.356 -0.274 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001486327000 918431359 /nfs/dbraw/zinc/43/13/59/918431359.db2.gz MTIFVYQQUVZLAT-SECBINFHSA-N 1 0 268.342 -0.464 20 30 CBEDRO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001486324813 918431590 /nfs/dbraw/zinc/43/15/90/918431590.db2.gz ASQIBZQZKPHGPV-NSHDSACASA-N 1 0 285.344 -0.883 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001486328208 918432608 /nfs/dbraw/zinc/43/26/08/918432608.db2.gz WPNZVEWTWWAFAL-GFCCVEGCSA-N 1 0 278.356 -0.274 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001486323996 918432757 /nfs/dbraw/zinc/43/27/57/918432757.db2.gz GKXXJYOPBDFGGY-LLVKDONJSA-N 1 0 282.348 -1.000 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486328768 918433318 /nfs/dbraw/zinc/43/33/18/918433318.db2.gz NRAOEKWRNLSZKI-CHWSQXEVSA-N 1 0 297.399 -0.018 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001486328809 918435349 /nfs/dbraw/zinc/43/53/49/918435349.db2.gz OGYLNOXVMVNIFU-ZIAGYGMSSA-N 1 0 298.383 -0.576 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001486329766 918436668 /nfs/dbraw/zinc/43/66/68/918436668.db2.gz BRCVCJRJWIOLIG-CHWSQXEVSA-N 1 0 296.367 -0.286 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)CC ZINC001486329371 918437182 /nfs/dbraw/zinc/43/71/82/918437182.db2.gz XZAJPADQBRRBAQ-LBPRGKRZSA-N 1 0 283.372 -0.713 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001486333034 918437976 /nfs/dbraw/zinc/43/79/76/918437976.db2.gz KFXJPCBBLYYSKW-QWRGUYRKSA-N 1 0 285.344 -0.578 20 30 CBEDRO 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/nfs/dbraw/zinc/92/94/90/919929490.db2.gz JOCGFLVRULYNSF-GHMZBOCLSA-N 1 0 274.386 -0.051 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001495763565 919938385 /nfs/dbraw/zinc/93/83/85/919938385.db2.gz OMYNHZMVIFZJRD-JTQLQIEISA-N 1 0 281.356 -0.043 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001495808900 919947786 /nfs/dbraw/zinc/94/77/86/919947786.db2.gz XMOCGZNTVBIRQV-RYUDHWBXSA-N 1 0 286.397 -0.071 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)Cn2ncnn2)CCCC1 ZINC001495915755 919983884 /nfs/dbraw/zinc/98/38/84/919983884.db2.gz WNEGJGHTSLFDCO-UHFFFAOYSA-N 1 0 262.317 -0.675 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001495909721 919985119 /nfs/dbraw/zinc/98/51/19/919985119.db2.gz ZBTVLSGFYXUVPG-ZDUSSCGKSA-N 1 0 283.372 -0.183 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCCC1 ZINC001495930290 919986800 /nfs/dbraw/zinc/98/68/00/919986800.db2.gz HYQMGNYUUSLTRN-NSHDSACASA-N 1 0 263.341 -0.226 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccco1 ZINC001495989744 919998614 /nfs/dbraw/zinc/99/86/14/919998614.db2.gz OVQCNBYOYFMBSE-JTQLQIEISA-N 1 0 278.312 -0.031 20 30 CBEDRO CCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001495990956 919999055 /nfs/dbraw/zinc/99/90/55/919999055.db2.gz XVVRILSGVROXNN-JTQLQIEISA-N 1 0 254.334 -0.137 20 30 CBEDRO C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H](C)C#N ZINC001496028594 920010446 /nfs/dbraw/zinc/01/04/46/920010446.db2.gz SPUWTVWRJQETLX-VHSXEESVSA-N 1 0 275.374 -0.373 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnnn1C ZINC001496058251 920017571 /nfs/dbraw/zinc/01/75/71/920017571.db2.gz REBQLDDCIKGBFJ-SNVBAGLBSA-N 1 0 294.359 -0.833 20 30 CBEDRO Cc1c[nH]nc1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001496054340 920018061 /nfs/dbraw/zinc/01/80/61/920018061.db2.gz MJXQDXFKGZDRKQ-JTQLQIEISA-N 1 0 292.343 -0.592 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CCOCC1=O ZINC001496076275 920024193 /nfs/dbraw/zinc/02/41/93/920024193.db2.gz BEUZLAILKMILQI-LBPRGKRZSA-N 1 0 283.372 -0.142 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001496181564 920039878 /nfs/dbraw/zinc/03/98/78/920039878.db2.gz QMJKVHSSQPCUQC-VIFPVBQESA-N 1 0 267.329 -0.338 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC1CC1 ZINC001496195094 920044029 /nfs/dbraw/zinc/04/40/29/920044029.db2.gz WYOACZXNWGXOMV-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)COCc1nncn1C ZINC001496199291 920044888 /nfs/dbraw/zinc/04/48/88/920044888.db2.gz WNKZIHFVTARDQN-LBPRGKRZSA-N 1 0 293.371 -0.209 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CCS(=O)(=O)N(C)C ZINC001496240151 920048809 /nfs/dbraw/zinc/04/88/09/920048809.db2.gz XKFJZJMEEHGRSH-NSHDSACASA-N 1 0 289.401 -0.662 20 30 CBEDRO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1[NH2+]CC(N)=O ZINC001496331343 920060041 /nfs/dbraw/zinc/06/00/41/920060041.db2.gz SIPFXGWRIZHEHT-ZJUUUORDSA-N 1 0 284.385 -0.445 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(C)=O ZINC001496464707 920072349 /nfs/dbraw/zinc/07/23/49/920072349.db2.gz LWMKFOQEDNRRIV-AAEUAGOBSA-N 1 0 265.357 -0.028 20 30 CBEDRO CNC(=O)C[NH2+][C@@H](CNC(=O)CSCC#N)C(C)C ZINC001496533955 920084760 /nfs/dbraw/zinc/08/47/60/920084760.db2.gz PXQWRFLHDXUANB-JTQLQIEISA-N 1 0 286.401 -0.280 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)C[C@H](C)NC(N)=O)C(C)C ZINC001496559423 920086880 /nfs/dbraw/zinc/08/68/80/920086880.db2.gz VDAUUNCPDITZEC-QWRGUYRKSA-N 1 0 268.361 -0.203 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)CN(C)C(=O)COC)C(C)C ZINC001496564338 920088428 /nfs/dbraw/zinc/08/84/28/920088428.db2.gz DDXORUOMALKLJA-ZDUSSCGKSA-N 1 0 297.399 -0.155 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001496590478 920089553 /nfs/dbraw/zinc/08/95/53/920089553.db2.gz PTROYGHEZPYUEV-NEPJUHHUSA-N 1 0 265.357 -0.124 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)c1nnn(C)c1C ZINC001496683040 920109071 /nfs/dbraw/zinc/10/90/71/920109071.db2.gz PBFIQXLVFGMGRS-UHFFFAOYSA-N 1 0 293.371 -0.223 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)c1cn(CCOC)nn1 ZINC001496701651 920118546 /nfs/dbraw/zinc/11/85/46/920118546.db2.gz GUOQUYYAEOUJSG-UHFFFAOYSA-N 1 0 293.371 -0.048 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001496763332 920129758 /nfs/dbraw/zinc/12/97/58/920129758.db2.gz FILUZTSUZTXGMD-LLVKDONJSA-N 1 0 251.330 -0.512 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](NC(=O)COC)C(C)C ZINC001496798202 920135085 /nfs/dbraw/zinc/13/50/85/920135085.db2.gz CVFCNZXWNJPWQA-AWEZNQCLSA-N 1 0 297.399 -0.203 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001496838013 920136854 /nfs/dbraw/zinc/13/68/54/920136854.db2.gz RYAQMFIHQISRRC-UHFFFAOYSA-N 1 0 280.328 -0.324 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CS(C)(=O)=O ZINC001496874782 920144172 /nfs/dbraw/zinc/14/41/72/920144172.db2.gz NFAUYHHTVGRZBK-WDEREUQCSA-N 1 0 272.370 -0.461 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccccc1 ZINC001496929210 920152993 /nfs/dbraw/zinc/15/29/93/920152993.db2.gz YJIWUMQQYCQUFB-ZDUSSCGKSA-N 1 0 291.351 -0.331 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001496931487 920153110 /nfs/dbraw/zinc/15/31/10/920153110.db2.gz GBBYELGZSLUSNW-NXEZZACHSA-N 1 0 289.351 -0.508 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CCCC1 ZINC001496930505 920155823 /nfs/dbraw/zinc/15/58/23/920155823.db2.gz AYENWPGOPMEFBC-AAEUAGOBSA-N 1 0 297.399 -0.066 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1CCOCC1 ZINC001496934202 920158710 /nfs/dbraw/zinc/15/87/10/920158710.db2.gz STIABOKXVKSHEU-GFCCVEGCSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccn1C ZINC001496939687 920161031 /nfs/dbraw/zinc/16/10/31/920161031.db2.gz IWGMNPYYXRWVAZ-NSHDSACASA-N 1 0 294.355 -0.992 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)no1 ZINC001496937892 920162057 /nfs/dbraw/zinc/16/20/57/920162057.db2.gz TVEVQSQUDRCBEM-JTQLQIEISA-N 1 0 251.286 -0.313 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1C ZINC001496943528 920165564 /nfs/dbraw/zinc/16/55/64/920165564.db2.gz DJSADIJKTWWNFI-LBPRGKRZSA-N 1 0 292.339 -0.885 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001496944219 920166274 /nfs/dbraw/zinc/16/62/74/920166274.db2.gz HXJLHITVPXIQHF-NWDGAFQWSA-N 1 0 272.345 -0.565 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001496948498 920168359 /nfs/dbraw/zinc/16/83/59/920168359.db2.gz YPGUHDRYEZEENF-QWRGUYRKSA-N 1 0 250.302 -0.856 20 30 CBEDRO CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496947085 920168648 /nfs/dbraw/zinc/16/86/48/920168648.db2.gz UWZRMZTWCODXHI-NEPJUHHUSA-N 1 0 272.345 -0.872 20 30 CBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001496950554 920169578 /nfs/dbraw/zinc/16/95/78/920169578.db2.gz PFDBACFOWVZVTO-WDEREUQCSA-N 1 0 269.345 -0.750 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001496955273 920172042 /nfs/dbraw/zinc/17/20/42/920172042.db2.gz NONKAYKNNVPHOG-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)cn1 ZINC001496955085 920173909 /nfs/dbraw/zinc/17/39/09/920173909.db2.gz MUNJLNSMZAJZMK-ZDUSSCGKSA-N 1 0 294.355 -0.767 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001496954782 920174251 /nfs/dbraw/zinc/17/42/51/920174251.db2.gz JRDVOCUHSGNBCR-QWRGUYRKSA-N 1 0 284.360 -0.919 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCOCC(F)(F)F ZINC001496955869 920177501 /nfs/dbraw/zinc/17/75/01/920177501.db2.gz VEYWBXZPIAJNGT-RKDXNWHRSA-N 1 0 297.277 -0.208 20 30 CBEDRO C/C=C(/C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496964253 920180467 /nfs/dbraw/zinc/18/04/67/920180467.db2.gz BRTVJQQKWIMTEU-CSXHZRMWSA-N 1 0 254.330 -0.331 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1oc(C)nc1C ZINC001496961382 920180584 /nfs/dbraw/zinc/18/05/84/920180584.db2.gz OCPVUOYPIMZQMJ-JTQLQIEISA-N 1 0 251.286 -0.395 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001496966718 920184764 /nfs/dbraw/zinc/18/47/64/920184764.db2.gz VXRAAYCRDCVCKN-YPMHNXCESA-N 1 0 254.330 -0.763 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001496970176 920188211 /nfs/dbraw/zinc/18/82/11/920188211.db2.gz JSNIQJBBUPJFIU-ZDUSSCGKSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C2CCC2)c1 ZINC001496979650 920189647 /nfs/dbraw/zinc/18/96/47/920189647.db2.gz AWGVNEMTIMTARH-CYBMUJFWSA-N 1 0 276.340 -0.078 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCOCC(F)F ZINC001496979547 920189787 /nfs/dbraw/zinc/18/97/87/920189787.db2.gz JGRPXUBVOXOWPL-NSHDSACASA-N 1 0 290.310 -0.252 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001496989476 920193792 /nfs/dbraw/zinc/19/37/92/920193792.db2.gz DNCFFWRAUFFHCL-NWDGAFQWSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001496990862 920194657 /nfs/dbraw/zinc/19/46/57/920194657.db2.gz OXIMALSXKKWUMY-JTQLQIEISA-N 1 0 262.313 -0.857 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001496990872 920195258 /nfs/dbraw/zinc/19/52/58/920195258.db2.gz OXIMALSXKKWUMY-SNVBAGLBSA-N 1 0 262.313 -0.857 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(N(C)C)cn1 ZINC001496986361 920195375 /nfs/dbraw/zinc/19/53/75/920195375.db2.gz URARKYNTWVPXLI-SNVBAGLBSA-N 1 0 279.344 -0.591 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1NC(C)=O ZINC001496993847 920197641 /nfs/dbraw/zinc/19/76/41/920197641.db2.gz YYBBGEBCCATJEA-LLVKDONJSA-N 1 0 290.323 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2ncccc12 ZINC001496992599 920198056 /nfs/dbraw/zinc/19/80/56/920198056.db2.gz AQEAYCVIOJMCJQ-SNVBAGLBSA-N 1 0 273.296 -0.957 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OCC)nc1 ZINC001496993727 920198868 /nfs/dbraw/zinc/19/88/68/920198868.db2.gz RMRISFRHQKSBHN-LBPRGKRZSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001496998238 920200529 /nfs/dbraw/zinc/20/05/29/920200529.db2.gz NAUOABHOLIQGIW-SNVBAGLBSA-N 1 0 280.328 -0.720 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C1CCC1 ZINC001497003784 920200565 /nfs/dbraw/zinc/20/05/65/920200565.db2.gz SLZYOLHEDCLSNE-YPMHNXCESA-N 1 0 295.383 -0.761 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1CC ZINC001497009218 920203768 /nfs/dbraw/zinc/20/37/68/920203768.db2.gz QOXQXYGZTKYXKD-NSHDSACASA-N 1 0 278.356 -0.314 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001497008310 920204830 /nfs/dbraw/zinc/20/48/30/920204830.db2.gz HJCCJNHHKXKELO-JTQLQIEISA-N 1 0 276.340 -0.398 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1C ZINC001497008208 920204967 /nfs/dbraw/zinc/20/49/67/920204967.db2.gz FUAZUBSKTZAYSJ-LLVKDONJSA-N 1 0 262.313 -0.511 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001497012648 920206944 /nfs/dbraw/zinc/20/69/44/920206944.db2.gz SOWVDIIUICSJJA-NSHDSACASA-N 1 0 299.758 -0.182 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001497033048 920215313 /nfs/dbraw/zinc/21/53/13/920215313.db2.gz OPKPHIBFHCHFKR-RYUDHWBXSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001497033044 920216534 /nfs/dbraw/zinc/21/65/34/920216534.db2.gz OPKPHIBFHCHFKR-NEPJUHHUSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001497034948 920219233 /nfs/dbraw/zinc/21/92/33/920219233.db2.gz RIVKMQDQDVAYQC-APPZFPTMSA-N 1 0 277.752 -0.683 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(CC)C1=O ZINC001497033792 920221259 /nfs/dbraw/zinc/22/12/59/920221259.db2.gz MOTPIIVFNOMWKK-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497041468 920225417 /nfs/dbraw/zinc/22/54/17/920225417.db2.gz RRLCUEMSPJZIIW-CYBMUJFWSA-N 1 0 291.351 -0.190 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001497048181 920226215 /nfs/dbraw/zinc/22/62/15/920226215.db2.gz QLCKAOHCNVLXGK-CYBMUJFWSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001497046595 920228338 /nfs/dbraw/zinc/22/83/38/920228338.db2.gz NXCYTCVXRSGQBB-MRVPVSSYSA-N 1 0 256.281 -0.195 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Oc1cccnc1 ZINC001497051896 920229119 /nfs/dbraw/zinc/22/91/19/920229119.db2.gz AQIPMCXKSIVWEP-OLZOCXBDSA-N 1 0 291.351 -0.061 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001497051912 920229393 /nfs/dbraw/zinc/22/93/93/920229393.db2.gz SOSBQPKZAKDGAP-JTQLQIEISA-N 1 0 280.328 -0.584 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001497064157 920234075 /nfs/dbraw/zinc/23/40/75/920234075.db2.gz MHYRPWZSYCDJQB-JTQLQIEISA-N 1 0 272.736 -0.211 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnoc1CC ZINC001497065086 920234766 /nfs/dbraw/zinc/23/47/66/920234766.db2.gz SFUHPHMRHGZEBQ-SNVBAGLBSA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001497064158 920235850 /nfs/dbraw/zinc/23/58/50/920235850.db2.gz MHYRPWZSYCDJQB-SNVBAGLBSA-N 1 0 272.736 -0.211 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccn2ccnc12 ZINC001497069956 920240611 /nfs/dbraw/zinc/24/06/11/920240611.db2.gz FLENAEDVCJJRDH-LLVKDONJSA-N 1 0 272.308 -0.352 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccn2ccnc12 ZINC001497069957 920240819 /nfs/dbraw/zinc/24/08/19/920240819.db2.gz FLENAEDVCJJRDH-NSHDSACASA-N 1 0 272.308 -0.352 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)COc1cccnc1 ZINC001497078061 920241463 /nfs/dbraw/zinc/24/14/63/920241463.db2.gz VNMXCBCJRWDMBJ-NSHDSACASA-N 1 0 265.313 -0.287 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001497079177 920243085 /nfs/dbraw/zinc/24/30/85/920243085.db2.gz VQYGCCFNCKUWGS-SNVBAGLBSA-N 1 0 290.327 -0.619 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001497080380 920245070 /nfs/dbraw/zinc/24/50/70/920245070.db2.gz LOTOMMQKSOGYJB-JTQLQIEISA-N 1 0 289.763 -0.668 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091649 920245735 /nfs/dbraw/zinc/24/57/35/920245735.db2.gz RZVWXPDBUQHZSZ-SNVBAGLBSA-N 1 0 267.333 -0.620 20 30 CBEDRO CCc1nc[nH]c1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001497104003 920248685 /nfs/dbraw/zinc/24/86/85/920248685.db2.gz KYPIZFMMIUPKOV-LLVKDONJSA-N 1 0 294.355 -0.698 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001497103993 920250296 /nfs/dbraw/zinc/25/02/96/920250296.db2.gz KTAUIJOJKPZODA-NEPJUHHUSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1cncn1 ZINC001497110954 920250601 /nfs/dbraw/zinc/25/06/01/920250601.db2.gz ALDMIVHRGCRBNU-SECBINFHSA-N 1 0 273.724 -0.903 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(=O)NC)c1 ZINC001497119282 920252229 /nfs/dbraw/zinc/25/22/29/920252229.db2.gz SVEJPVIYVJRMGB-ZDUSSCGKSA-N 1 0 291.351 -0.088 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001497128996 920255325 /nfs/dbraw/zinc/25/53/25/920255325.db2.gz SVXXZLVYQJTSRU-VIFPVBQESA-N 1 0 289.291 -0.153 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1c(OC)ncnc1OC ZINC001497126597 920255683 /nfs/dbraw/zinc/25/56/83/920255683.db2.gz NSANPUAZJXYSNJ-SECBINFHSA-N 1 0 296.327 -0.640 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001497128497 920258324 /nfs/dbraw/zinc/25/83/24/920258324.db2.gz PRPULEKAOITTBH-LLVKDONJSA-N 1 0 292.339 -0.563 20 30 CBEDRO Cc1ncc(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001497153885 920262891 /nfs/dbraw/zinc/26/28/91/920262891.db2.gz HPSDGZRWTUJCGI-SECBINFHSA-N 1 0 292.343 -0.544 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C(=O)C(C)(C)C ZINC001497155297 920265301 /nfs/dbraw/zinc/26/53/01/920265301.db2.gz VVCSPVGIWXPVGY-SNVBAGLBSA-N 1 0 296.371 -0.274 20 30 CBEDRO C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H](C)C#N ZINC001497153453 920265677 /nfs/dbraw/zinc/26/56/77/920265677.db2.gz NOTSBXKNWWSQFK-WDEREUQCSA-N 1 0 294.355 -0.221 20 30 CBEDRO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001497170443 920268638 /nfs/dbraw/zinc/26/86/38/920268638.db2.gz MXQMPQLQFRBWOT-SECBINFHSA-N 1 0 277.328 -0.270 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)c1cn[nH]n1 ZINC001497220329 920270151 /nfs/dbraw/zinc/27/01/51/920270151.db2.gz POZKMDHADRPMMB-VHSXEESVSA-N 1 0 292.343 -0.959 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1cn[nH]n1 ZINC001497220328 920270465 /nfs/dbraw/zinc/27/04/65/920270465.db2.gz POZKMDHADRPMMB-UWVGGRQHSA-N 1 0 292.343 -0.959 20 30 CBEDRO CC#CCCCC(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001497251329 920272770 /nfs/dbraw/zinc/27/27/70/920272770.db2.gz FTKYBMZEVHMRAI-LLVKDONJSA-N 1 0 296.371 -0.141 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001497240904 920273715 /nfs/dbraw/zinc/27/37/15/920273715.db2.gz JOJUXUGRJQZVKU-NEPJUHHUSA-N 1 0 283.372 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001497264015 920276839 /nfs/dbraw/zinc/27/68/39/920276839.db2.gz QIRGJGNXFKJEQS-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CCOC1 ZINC001497264013 920278400 /nfs/dbraw/zinc/27/84/00/920278400.db2.gz QIRGJGNXFKJEQS-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001497305133 920282459 /nfs/dbraw/zinc/28/24/59/920282459.db2.gz UXNOSQDOFILFBA-QMMMGPOBSA-N 1 0 294.311 -0.372 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CS(=O)(=O)CC ZINC001497332021 920285012 /nfs/dbraw/zinc/28/50/12/920285012.db2.gz OHAIYVWXMDKHGF-JTQLQIEISA-N 1 0 260.359 -0.461 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001497339215 920289117 /nfs/dbraw/zinc/28/91/17/920289117.db2.gz JJPDKAADNVFJSO-ZJUUUORDSA-N 1 0 265.313 -0.843 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@H]1COCCO1 ZINC001497360926 920294746 /nfs/dbraw/zinc/29/47/46/920294746.db2.gz WXOFCAQIEJVKHR-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC1(F)F ZINC001497382117 920296490 /nfs/dbraw/zinc/29/64/90/920296490.db2.gz FQEQMAAPTAWLAQ-SNVBAGLBSA-N 1 0 287.310 -0.171 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001497416783 920307424 /nfs/dbraw/zinc/30/74/24/920307424.db2.gz IGMHAOYNFKNZHJ-NSHDSACASA-N 1 0 272.370 -0.508 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCNC1=O ZINC001497437027 920307947 /nfs/dbraw/zinc/30/79/47/920307947.db2.gz PDTHOTPPLHIIIW-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C(C)(C)NC(C)=O ZINC001497479065 920309702 /nfs/dbraw/zinc/30/97/02/920309702.db2.gz UVBJPFMSQTWPDN-UHFFFAOYSA-N 1 0 253.346 -0.028 20 30 CBEDRO C=CCC[NH2+]CCN(CC)C(=O)CN1C(=O)CN(C)C1=O ZINC001497493936 920310175 /nfs/dbraw/zinc/31/01/75/920310175.db2.gz IHVHUGKQLZCDFI-UHFFFAOYSA-N 1 0 296.371 -0.105 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)CS(=O)(=O)CC ZINC001497501521 920310457 /nfs/dbraw/zinc/31/04/57/920310457.db2.gz WXZNCROEKVUOKS-UHFFFAOYSA-N 1 0 260.359 -0.508 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H](C)CS(C)(=O)=O ZINC001497505590 920313147 /nfs/dbraw/zinc/31/31/47/920313147.db2.gz KDUIJKFCHIAWHZ-LLVKDONJSA-N 1 0 274.386 -0.262 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnn(C)c1 ZINC001497525033 920320709 /nfs/dbraw/zinc/32/07/09/920320709.db2.gz HRPXIWZMVRRYFF-PLNGDYQASA-N 1 0 291.355 -0.402 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)Cc1cnn(C)c1 ZINC001497548790 920332238 /nfs/dbraw/zinc/33/22/38/920332238.db2.gz ZVUPEAPSNALTDI-ONEGZZNKSA-N 1 0 290.367 -0.126 20 30 CBEDRO N#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)[nH]1 ZINC001497562857 920333260 /nfs/dbraw/zinc/33/32/60/920333260.db2.gz NCINUHOETZRZCI-RFMOXSJOSA-N 1 0 287.323 -0.350 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]CC(=O)N(C)C ZINC001497572186 920338845 /nfs/dbraw/zinc/33/88/45/920338845.db2.gz JYBLKTMPIRBZGJ-UZYOAWRESA-N 1 0 283.372 -0.336 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CO[C@@H]1CCOC1 ZINC001497577845 920342724 /nfs/dbraw/zinc/34/27/24/920342724.db2.gz DVOVILDTLDDORY-AAOUONPWSA-N 1 0 252.314 -0.313 20 30 CBEDRO O=C(C#CC1CC1)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001497579118 920343222 /nfs/dbraw/zinc/34/32/22/920343222.db2.gz MHCVMULTVZVKSK-OWOJBTEDSA-N 1 0 275.352 -0.106 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)C(=O)NCC(F)F ZINC001497620220 920353382 /nfs/dbraw/zinc/35/33/82/920353382.db2.gz IRKSXIHVOFUYRY-ARJAWSKDSA-N 1 0 259.256 -0.737 20 30 CBEDRO COCC#CC[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001497622795 920353803 /nfs/dbraw/zinc/35/38/03/920353803.db2.gz FJIRMFPYVZIJJI-NSCUHMNNSA-N 1 0 263.301 -0.670 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497650985 920359485 /nfs/dbraw/zinc/35/94/85/920359485.db2.gz SZKXIFPBSSOTRM-GZTOBOFZSA-N 1 0 266.345 -0.152 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1cnoc1 ZINC001497660748 920363856 /nfs/dbraw/zinc/36/38/56/920363856.db2.gz HBDAHAPUYKYZIV-ARJAWSKDSA-N 1 0 290.323 -0.772 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CCCS(N)(=O)=O ZINC001497669815 920366760 /nfs/dbraw/zinc/36/67/60/920366760.db2.gz PLYHTXPGUADXQL-PLNGDYQASA-N 1 0 287.385 -0.660 20 30 CBEDRO C=CCn1cc(C(=O)NC/C=C/C[NH2+]C[C@H](C)O)nn1 ZINC001497694602 920372637 /nfs/dbraw/zinc/37/26/37/920372637.db2.gz KQDRVIRONJVOOD-ZWNMCFTASA-N 1 0 279.344 -0.280 20 30 CBEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)CN1CC(=O)N(C)C1=O ZINC001497732041 920377277 /nfs/dbraw/zinc/37/72/77/920377277.db2.gz PZXBJUFFHPZRSH-PLNGDYQASA-N 1 0 294.355 -0.282 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)OC ZINC001497793480 920383279 /nfs/dbraw/zinc/38/32/79/920383279.db2.gz LSLRIIQIIQGYDT-ZJUUUORDSA-N 1 0 257.334 -0.582 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001497788819 920383574 /nfs/dbraw/zinc/38/35/74/920383574.db2.gz CIZZCYPYUVVDEZ-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO CO[C@H](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497794683 920390602 /nfs/dbraw/zinc/39/06/02/920390602.db2.gz PUBFHSUROGZPRS-NXEZZACHSA-N 1 0 270.333 -0.855 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001497807637 920397910 /nfs/dbraw/zinc/39/79/10/920397910.db2.gz XOFHJGAKNBSMON-MNOVXSKESA-N 1 0 293.371 -0.181 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001497807636 920398523 /nfs/dbraw/zinc/39/85/23/920398523.db2.gz XOFHJGAKNBSMON-GHMZBOCLSA-N 1 0 293.371 -0.181 20 30 CBEDRO Cc1ccc(CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)o1 ZINC001497808145 920399633 /nfs/dbraw/zinc/39/96/33/920399633.db2.gz LEXZEVQTKJDQBM-SNVBAGLBSA-N 1 0 292.339 -0.135 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001497810940 920400815 /nfs/dbraw/zinc/40/08/15/920400815.db2.gz KYCIVJJQIUEQEA-SNVBAGLBSA-N 1 0 267.333 -0.274 20 30 CBEDRO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001497808266 920401278 /nfs/dbraw/zinc/40/12/78/920401278.db2.gz OIJFKMCPNSSTJC-SFYZADRCSA-N 1 0 263.301 -0.532 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001497820372 920403171 /nfs/dbraw/zinc/40/31/71/920403171.db2.gz JIUNKCAUDHXWKA-GHMZBOCLSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001497851515 920410183 /nfs/dbraw/zinc/41/01/83/920410183.db2.gz RAQWQRHPNQZADL-SNVBAGLBSA-N 1 0 278.312 -0.934 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001497875078 920413817 /nfs/dbraw/zinc/41/38/17/920413817.db2.gz BKPIOXULNXAWGL-WISYIIOYSA-N 1 0 265.357 -0.125 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCCN1CC(F)F ZINC001497865436 920415331 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C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C)OC ZINC001498018550 920446060 /nfs/dbraw/zinc/44/60/60/920446060.db2.gz BZXAINRXQMXTLH-DCAQKATOSA-N 1 0 269.345 -0.747 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001498044896 920457637 /nfs/dbraw/zinc/45/76/37/920457637.db2.gz VJEZCPKSIOBFBI-VHSXEESVSA-N 1 0 275.374 -0.958 20 30 CBEDRO CCN1C[C@H](C(=O)N[C@@H](C)C[NH2+]CC#CCOC)CC1=O ZINC001498048899 920464942 /nfs/dbraw/zinc/46/49/42/920464942.db2.gz TXVADVSQYUYYMF-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(OCC(N)=O)cc1 ZINC001498070100 920466423 /nfs/dbraw/zinc/46/64/23/920466423.db2.gz ZJBGLWYGOUSNTF-NSHDSACASA-N 1 0 289.335 -0.108 20 30 CBEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498092835 920474411 /nfs/dbraw/zinc/47/44/11/920474411.db2.gz NZMIRQNCECBITD-UWVGGRQHSA-N 1 0 284.360 -0.122 20 30 CBEDRO CC[C@@H](C(=O)N1CC(NC(=O)CSCC#N)C1)[NH+](C)C ZINC001498101986 920479643 /nfs/dbraw/zinc/47/96/43/920479643.db2.gz 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COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)n1cncn1 ZINC001498284447 920542456 /nfs/dbraw/zinc/54/24/56/920542456.db2.gz QILYDVXYVLKKRQ-QWHCGFSZSA-N 1 0 293.371 -0.075 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001498297835 920546295 /nfs/dbraw/zinc/54/62/95/920546295.db2.gz AWDGQRMUWUFSLG-WDEREUQCSA-N 1 0 279.340 -0.406 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001498301011 920547564 /nfs/dbraw/zinc/54/75/64/920547564.db2.gz LPTVGIWHIMWTFP-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001498299459 920547872 /nfs/dbraw/zinc/54/78/72/920547872.db2.gz KFPWTLRGIIBGPW-VXGBXAGGSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001498297834 920548011 /nfs/dbraw/zinc/54/80/11/920548011.db2.gz AWDGQRMUWUFSLG-QWRGUYRKSA-N 1 0 279.340 -0.406 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001498332596 920556088 /nfs/dbraw/zinc/55/60/88/920556088.db2.gz QWJMHHLTJKPFQA-NWDGAFQWSA-N 1 0 280.372 -0.153 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001498367955 920564596 /nfs/dbraw/zinc/56/45/96/920564596.db2.gz ZZHXHPHCANBGFS-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001498390009 920571821 /nfs/dbraw/zinc/57/18/21/920571821.db2.gz PYQHFYUXPDZGAB-WDEREUQCSA-N 1 0 291.417 -0.063 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001498390007 920575798 /nfs/dbraw/zinc/57/57/98/920575798.db2.gz PYQHFYUXPDZGAB-MNOVXSKESA-N 1 0 291.417 -0.063 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001498448762 920589530 /nfs/dbraw/zinc/58/95/30/920589530.db2.gz PIJXXENWZPCNPQ-MNOVXSKESA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)COC ZINC001498504925 920595354 /nfs/dbraw/zinc/59/53/54/920595354.db2.gz MCMVYHQPCQAIAQ-NSHDSACASA-N 1 0 269.345 -0.791 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)COC ZINC001498504923 920596064 /nfs/dbraw/zinc/59/60/64/920596064.db2.gz MCMVYHQPCQAIAQ-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO C[C@@H]1C[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001498513707 920600144 /nfs/dbraw/zinc/60/01/44/920600144.db2.gz ZDMNQGPDQYAUHN-GHMZBOCLSA-N 1 0 266.345 -0.280 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C)C#N ZINC001498526711 920602670 /nfs/dbraw/zinc/60/26/70/920602670.db2.gz XTAWJWHYJPOBSS-SNVBAGLBSA-N 1 0 297.359 -0.570 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001498749171 920635503 /nfs/dbraw/zinc/63/55/03/920635503.db2.gz IXWXQBOLEWYCJE-GWCFXTLKSA-N 1 0 269.345 -0.717 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](NC(=O)c1ncc[nH]1)C1CC1 ZINC001498757990 920636092 /nfs/dbraw/zinc/63/60/92/920636092.db2.gz GIJWPGGFBRTNEI-NSHDSACASA-N 1 0 289.339 -0.743 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1CC1 ZINC001498782868 920640187 /nfs/dbraw/zinc/64/01/87/920640187.db2.gz YBUZQYJSQNIZFD-CHWSQXEVSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001498966356 920673473 /nfs/dbraw/zinc/67/34/73/920673473.db2.gz JBGLMZVEQFUCJY-VHSXEESVSA-N 1 0 252.318 -0.743 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CC(N)=O ZINC001499032991 920684197 /nfs/dbraw/zinc/68/41/97/920684197.db2.gz OLBUAOSSYVCHEM-WDEREUQCSA-N 1 0 251.330 -0.288 20 30 CBEDRO C=CCNC(=O)CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001499120218 920702153 /nfs/dbraw/zinc/70/21/53/920702153.db2.gz MBGZAIKEEJQZGT-QWHCGFSZSA-N 1 0 294.399 -0.569 20 30 CBEDRO COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001499176425 920715823 /nfs/dbraw/zinc/71/58/23/920715823.db2.gz DRSCBNUJQIGHKB-NWDGAFQWSA-N 1 0 294.351 -0.316 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001499183038 920716518 /nfs/dbraw/zinc/71/65/18/920716518.db2.gz RLTMSWOUUAWNSA-VIFPVBQESA-N 1 0 263.301 -0.976 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)C[C@@H]2CCN(C)C2=O)CC1 ZINC001499258906 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C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)CO)CC1 ZINC000343763017 353290107 /nfs/dbraw/zinc/29/01/07/353290107.db2.gz JMUQGQLHPDUFQP-LLVKDONJSA-N 1 0 283.372 -0.408 20 30 CBEDRO C[C@H](C[NH+](C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000343800785 353291253 /nfs/dbraw/zinc/29/12/53/353291253.db2.gz ZYLOKNMRUNENTD-MRVPVSSYSA-N 1 0 265.317 -0.682 20 30 CBEDRO C[C@@H](CC#N)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000345023677 353307846 /nfs/dbraw/zinc/30/78/46/353307846.db2.gz VHKFUBZKCDGBFX-WDEREUQCSA-N 1 0 266.345 -0.185 20 30 CBEDRO C[NH+](C)[C@]1(CNC(=O)NCC(=O)NCC#N)CCSC1 ZINC000345082598 353309255 /nfs/dbraw/zinc/30/92/55/353309255.db2.gz SQWDDDNCRQDOKF-LBPRGKRZSA-N 1 0 299.400 -0.637 20 30 CBEDRO CC[NH+]1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 ZINC000345079019 353309436 /nfs/dbraw/zinc/30/94/36/353309436.db2.gz ZMKXGBGYCGKNOH-UHFFFAOYSA-N 1 0 291.359 -0.067 20 30 CBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000345119486 353311508 /nfs/dbraw/zinc/31/15/08/353311508.db2.gz RNJDHVWFQAPQCJ-VIFPVBQESA-N 1 0 253.306 -0.980 20 30 CBEDRO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000343914356 353298864 /nfs/dbraw/zinc/29/88/64/353298864.db2.gz OUIQQIICRMZEDZ-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)NCC#N)C1 ZINC000345216942 353316705 /nfs/dbraw/zinc/31/67/05/353316705.db2.gz DHMQQZYNJAHJIP-LBPRGKRZSA-N 1 0 295.387 -0.097 20 30 CBEDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H](C#N)C2)CC1=O ZINC000345262814 353319572 /nfs/dbraw/zinc/31/95/72/353319572.db2.gz ORRCDAGKAZIVCM-RYUDHWBXSA-N 1 0 294.355 -0.853 20 30 CBEDRO C[C@@H]1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000345382987 353326661 /nfs/dbraw/zinc/32/66/61/353326661.db2.gz PMUVFTZVQYHKOO-MNOVXSKESA-N 1 0 291.359 -0.068 20 30 CBEDRO C=CCNC(=O)CN1CC[NH+](CC2(C)COC2)CC1 ZINC000345925519 353355117 /nfs/dbraw/zinc/35/51/17/353355117.db2.gz OWBJXBKOZMUVAA-UHFFFAOYSA-N 1 0 267.373 -0.057 20 30 CBEDRO C=CCOCCC[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000348053910 353407269 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C=CCNC(=O)[C@H](C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000351883385 353477603 /nfs/dbraw/zinc/47/76/03/353477603.db2.gz ORWOHRKLXSBVSD-ZDUSSCGKSA-N 1 0 296.415 -0.227 20 30 CBEDRO COC(=O)[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C1CC1 ZINC000353118188 353521911 /nfs/dbraw/zinc/52/19/11/353521911.db2.gz LEWLHCKVBQVDKE-WDEREUQCSA-N 1 0 265.313 -0.243 20 30 CBEDRO C[N@H+](CCC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000353178486 353524994 /nfs/dbraw/zinc/52/49/94/353524994.db2.gz XKPPYTRLCVCMMF-LBPRGKRZSA-N 1 0 252.318 -0.398 20 30 CBEDRO C[NH+](C)CCN1C[C@H](C(=O)N(CC#N)CC#N)CC1=O ZINC000355407332 353591136 /nfs/dbraw/zinc/59/11/36/353591136.db2.gz BZIAVSAMADAZKM-LLVKDONJSA-N 1 0 277.328 -0.728 20 30 CBEDRO C=C[C@@H](CO)NC(=O)C1(N2CCOCC2)CCC1 ZINC000356848640 353600152 /nfs/dbraw/zinc/60/01/52/353600152.db2.gz NHYFJOLTUURLCU-NSHDSACASA-N 1 0 254.330 -0.096 20 30 CBEDRO C=CCN(CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357078817 353601846 /nfs/dbraw/zinc/60/18/46/353601846.db2.gz LZYYKUYNVFTIDM-LLVKDONJSA-N 1 0 262.375 -0.363 20 30 CBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C#N)nc2)C1 ZINC000358073838 353625397 /nfs/dbraw/zinc/62/53/97/353625397.db2.gz CNVIHSCKAAMFBL-CYBMUJFWSA-N 1 0 260.297 -0.250 20 30 CBEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC(=O)NCC#N ZINC000358136537 353628341 /nfs/dbraw/zinc/62/83/41/353628341.db2.gz KZKDKCKLQFNMFV-SNVBAGLBSA-N 1 0 269.349 -0.346 20 30 CBEDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCCCC#N)C1 ZINC000358213075 353632996 /nfs/dbraw/zinc/63/29/96/353632996.db2.gz ODGBOZOHVPSWBL-LLVKDONJSA-N 1 0 275.374 -0.334 20 30 CBEDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCC(=O)NCC#N)C[C@H]1C ZINC000358277662 353635210 /nfs/dbraw/zinc/63/52/10/353635210.db2.gz PXPAOEAUMMOKDQ-MNOVXSKESA-N 1 0 281.360 -0.250 20 30 CBEDRO N#CCNC(=O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000358428870 353643524 /nfs/dbraw/zinc/64/35/24/353643524.db2.gz DTLGTWHXBMGTTD-UHFFFAOYSA-N 1 0 259.309 -0.254 20 30 CBEDRO C=C[C@H](CO)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000358945354 353651524 /nfs/dbraw/zinc/65/15/24/353651524.db2.gz 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C[NH+](C)CC(=O)N1CCN(C(=O)CCCC#N)CC1 ZINC000359987465 353655765 /nfs/dbraw/zinc/65/57/65/353655765.db2.gz VRLGZKSAWHFYAN-UHFFFAOYSA-N 1 0 266.345 -0.087 20 30 CBEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000373755537 353735648 /nfs/dbraw/zinc/73/56/48/353735648.db2.gz YXVJLMOPPUWILL-CYBMUJFWSA-N 1 0 267.329 -0.891 20 30 CBEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371231236 353698107 /nfs/dbraw/zinc/69/81/07/353698107.db2.gz UVBZVDQSPFBPRA-VXGBXAGGSA-N 1 0 250.346 -0.006 20 30 CBEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373227214 353727869 /nfs/dbraw/zinc/72/78/69/353727869.db2.gz JLGUSBORSXAIAG-GFCCVEGCSA-N 1 0 293.371 -0.200 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000373404528 353730786 /nfs/dbraw/zinc/73/07/86/353730786.db2.gz RCRMLXORISVSBF-RISCZKNCSA-N 1 0 297.355 -0.122 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000375336462 353758697 /nfs/dbraw/zinc/75/86/97/353758697.db2.gz 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/nfs/dbraw/zinc/77/71/98/353777198.db2.gz NLXYVEOGLCMGBY-VXGBXAGGSA-N 1 0 293.371 -0.248 20 30 CBEDRO CO[C@@H]1COC[C@H]1n1cc(C[NH+]=C(N(C)C)N(C)C)nn1 ZINC000377974039 353780373 /nfs/dbraw/zinc/78/03/73/353780373.db2.gz XEOPDUAMIJGEOE-VXGBXAGGSA-N 1 0 296.375 -0.156 20 30 CBEDRO C=CCN1CC[C@@H](N2CCCN(C)C(=O)C2)C1=O ZINC000374064130 353740140 /nfs/dbraw/zinc/74/01/40/353740140.db2.gz WNDWBCGIWHFOPJ-LLVKDONJSA-N 1 0 251.330 -0.063 20 30 CBEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cnc(C#N)n1 ZINC000408068406 353842852 /nfs/dbraw/zinc/84/28/52/353842852.db2.gz IAEKZRPPHOOGDA-VHSXEESVSA-N 1 0 262.317 -0.299 20 30 CBEDRO C=C(C)CN(C)C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000410531232 353931273 /nfs/dbraw/zinc/93/12/73/353931273.db2.gz UAXNAGPVJZUPPJ-GFCCVEGCSA-N 1 0 283.372 -0.190 20 30 CBEDRO C=CCNC(=O)[C@H](C)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411899108 353941927 /nfs/dbraw/zinc/94/19/27/353941927.db2.gz AZIXFFXFBVFCFC-RYUDHWBXSA-N 1 0 283.372 -0.286 20 30 CBEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC000419273542 354043590 /nfs/dbraw/zinc/04/35/90/354043590.db2.gz BWWPDOTYSQTQSS-LLVKDONJSA-N 1 0 286.335 -0.005 20 30 CBEDRO C=CCNC(=O)CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418535370 354002637 /nfs/dbraw/zinc/00/26/37/354002637.db2.gz HBXWJRPVEIDGGU-ZDUSSCGKSA-N 1 0 268.361 -0.023 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418826462 354010437 /nfs/dbraw/zinc/01/04/37/354010437.db2.gz LATIBIYGFHDYNP-UPJWGTAASA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418821780 354010511 /nfs/dbraw/zinc/01/05/11/354010511.db2.gz VZQMGBHPCVFQEG-AVGNSLFASA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418826460 354010861 /nfs/dbraw/zinc/01/08/61/354010861.db2.gz LATIBIYGFHDYNP-JHJVBQTASA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418826464 354010885 /nfs/dbraw/zinc/01/08/85/354010885.db2.gz LATIBIYGFHDYNP-YNEHKIRRSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418991398 354020095 /nfs/dbraw/zinc/02/00/95/354020095.db2.gz LTMJOMYEYLRJNN-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000419074693 354027668 /nfs/dbraw/zinc/02/76/68/354027668.db2.gz DYGLIEOGJFGESN-NSHDSACASA-N 1 0 286.335 -0.005 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)NCC#Cc2ccccc2)CC[NH2+]1 ZINC000419117208 354029437 /nfs/dbraw/zinc/02/94/37/354029437.db2.gz PTEIFZPULKDEOU-CYBMUJFWSA-N 1 0 285.347 -0.025 20 30 CBEDRO O=C(NCC#Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000419124378 354029596 /nfs/dbraw/zinc/02/95/96/354029596.db2.gz ZQYCBUUSOILTBJ-UHFFFAOYSA-N 1 0 271.320 -0.414 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419848275 354084662 /nfs/dbraw/zinc/08/46/62/354084662.db2.gz VJJXMRYEVJUTLX-LLVKDONJSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419400761 354050355 /nfs/dbraw/zinc/05/03/55/354050355.db2.gz MCWOJXRHRDFPER-NEPJUHHUSA-N 1 0 281.356 -0.484 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419394735 354050371 /nfs/dbraw/zinc/05/03/71/354050371.db2.gz AIZINFCWBNJTFJ-OLZOCXBDSA-N 1 0 295.383 -0.237 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419406513 354051343 /nfs/dbraw/zinc/05/13/43/354051343.db2.gz UYASBIBZGCTUAM-NSHDSACASA-N 1 0 269.345 -0.355 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419401604 354051488 /nfs/dbraw/zinc/05/14/88/354051488.db2.gz NVHUVMGQLHTQOS-NSHDSACASA-N 1 0 269.345 -0.484 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419404114 354051735 /nfs/dbraw/zinc/05/17/35/354051735.db2.gz RACVDIFPTWUAET-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO CC#CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420059061 354106182 /nfs/dbraw/zinc/10/61/82/354106182.db2.gz KFLDPOPNAMEJNX-QWRGUYRKSA-N 1 0 281.356 -0.255 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420070661 354107178 /nfs/dbraw/zinc/10/71/78/354107178.db2.gz WWHTUFZIAJPPEY-LLVKDONJSA-N 1 0 269.345 -0.499 20 30 CBEDRO CC#CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420114451 354109060 /nfs/dbraw/zinc/10/90/60/354109060.db2.gz JNSPTTDOGZBBMT-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCN(CC=C)C(=O)C(=O)NCC(F)(F)CN ZINC000420167169 354115038 /nfs/dbraw/zinc/11/50/38/354115038.db2.gz JIBZCGIHRAOSOQ-UHFFFAOYSA-N 1 0 261.272 -0.103 20 30 CBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)NCC[NH2+]CCOC ZINC000420176770 354116034 /nfs/dbraw/zinc/11/60/34/354116034.db2.gz AMWYMSGEPITYHA-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CC1CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000420181437 354116819 /nfs/dbraw/zinc/11/68/19/354116819.db2.gz IFCTVCHKUGZBHW-UHFFFAOYSA-N 1 0 283.372 -0.237 20 30 CBEDRO C=CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423312473 354167848 /nfs/dbraw/zinc/16/78/48/354167848.db2.gz VFMQNPPKDQXYNR-LBPRGKRZSA-N 1 0 281.356 -0.403 20 30 CBEDRO C=CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423312467 354167853 /nfs/dbraw/zinc/16/78/53/354167853.db2.gz VFMQNPPKDQXYNR-GFCCVEGCSA-N 1 0 281.356 -0.403 20 30 CBEDRO C=CCN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000423564984 354180627 /nfs/dbraw/zinc/18/06/27/354180627.db2.gz UBZCQGOAVOUKSA-JTQLQIEISA-N 1 0 251.330 -0.016 20 30 CBEDRO CCNC(=O)CN(CC)C(=O)[C@H]([NH3+])CCCC#N ZINC000424088501 354208899 /nfs/dbraw/zinc/20/88/99/354208899.db2.gz JKLLWMYDVAZIOS-SNVBAGLBSA-N 1 0 254.334 -0.008 20 30 CBEDRO COCCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424094660 354209095 /nfs/dbraw/zinc/20/90/95/354209095.db2.gz MFXHHJGQWWCNFO-NSHDSACASA-N 1 0 284.360 -0.429 20 30 CBEDRO CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424136155 354211125 /nfs/dbraw/zinc/21/11/25/354211125.db2.gz QKCAHHUTAJEOTM-LBPRGKRZSA-N 1 0 295.387 -0.712 20 30 CBEDRO C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CCOCC1 ZINC000424138822 354211439 /nfs/dbraw/zinc/21/14/39/354211439.db2.gz UYEBKASLEFDTPN-NEPJUHHUSA-N 1 0 268.361 -0.156 20 30 CBEDRO COCCN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424145718 354211801 /nfs/dbraw/zinc/21/18/01/354211801.db2.gz ZESLEEONFFDRFA-GFCCVEGCSA-N 1 0 268.361 -0.202 20 30 CBEDRO C[C@@H]1COCCN1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143821 354212184 /nfs/dbraw/zinc/21/21/84/354212184.db2.gz GIFPVQRWUUYEER-VXGBXAGGSA-N 1 0 268.361 -0.156 20 30 CBEDRO C=CCCn1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)nn1 ZINC000424160081 354212493 /nfs/dbraw/zinc/21/24/93/354212493.db2.gz WQPNAHCIQVFMTP-JTQLQIEISA-N 1 0 265.317 -0.346 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)nn1 ZINC000424168762 354213118 /nfs/dbraw/zinc/21/31/18/354213118.db2.gz JBCXNBNHYRANFZ-GXSJLCMTSA-N 1 0 265.317 -0.836 20 30 CBEDRO COC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000433973434 354253089 /nfs/dbraw/zinc/25/30/89/354253089.db2.gz GJTMMSFTWDRAKW-FZMZJTMJSA-N 1 0 296.371 -0.559 20 30 CBEDRO C[NH+](C)CCN1C[C@H](C(=O)N2CC(C)(C#N)C2)CC1=O ZINC000435919750 354254910 /nfs/dbraw/zinc/25/49/10/354254910.db2.gz AZCPYPWUWKQCIT-LLVKDONJSA-N 1 0 278.356 -0.231 20 30 CBEDRO C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)CO ZINC000443344541 354260042 /nfs/dbraw/zinc/26/00/42/354260042.db2.gz RNPHMKTXQXIOME-QWHCGFSZSA-N 1 0 296.371 -0.294 20 30 CBEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(=O)n(C)c1=O ZINC000424207052 354219509 /nfs/dbraw/zinc/21/95/09/354219509.db2.gz XDQWUYDHMHCTGQ-GXSJLCMTSA-N 1 0 262.313 -0.134 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000424537949 354227033 /nfs/dbraw/zinc/22/70/33/354227033.db2.gz CWGOBZNAQMIHLH-SRVKXCTJSA-N 1 0 281.356 -0.453 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1[NH3+] ZINC000424535413 354227313 /nfs/dbraw/zinc/22/73/13/354227313.db2.gz AGRHOFGKBPMPBN-YTWAJWBKSA-N 1 0 264.329 -0.400 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1[NH3+] ZINC000424535402 354227416 /nfs/dbraw/zinc/22/74/16/354227416.db2.gz AGRHOFGKBPMPBN-LMLFDSFASA-N 1 0 264.329 -0.400 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000424538753 354227451 /nfs/dbraw/zinc/22/74/51/354227451.db2.gz DMWHEJQKAQUADU-NDBYEHHHSA-N 1 0 295.383 -0.098 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000424545617 354227700 /nfs/dbraw/zinc/22/77/00/354227700.db2.gz LUDYHYNFNHCROW-GRYCIOLGSA-N 1 0 278.356 -0.089 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000424545618 354228120 /nfs/dbraw/zinc/22/81/20/354228120.db2.gz LUDYHYNFNHCROW-SDDRHHMPSA-N 1 0 278.356 -0.089 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000424543778 354228131 /nfs/dbraw/zinc/22/81/31/354228131.db2.gz JTPDYBTWQIPIPD-RVMXOQNASA-N 1 0 295.383 -0.111 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000424546294 354228140 /nfs/dbraw/zinc/22/81/40/354228140.db2.gz MUSSQEQNGOGYIU-LPEHRKFASA-N 1 0 250.302 -0.646 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543151 354239259 /nfs/dbraw/zinc/23/92/59/354239259.db2.gz HUSKVOPWHHVLGZ-NXEZZACHSA-N 1 0 292.343 -0.006 20 30 CBEDRO C=CCn1cc(CNC(=O)NCC[NH+](C)C)nn1 ZINC000425878996 354239957 /nfs/dbraw/zinc/23/99/57/354239957.db2.gz QEXCQRUKMWIRKM-UHFFFAOYSA-N 1 0 252.322 -0.175 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447924750 354309379 /nfs/dbraw/zinc/30/93/79/354309379.db2.gz XDEJXRLGRWAZIS-RYUDHWBXSA-N 1 0 269.345 -0.122 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+](CC)CCO ZINC000459013543 354380858 /nfs/dbraw/zinc/38/08/58/354380858.db2.gz DVBFCLRHUXDFKV-NEPJUHHUSA-N 1 0 271.361 -0.057 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000459833771 354390577 /nfs/dbraw/zinc/39/05/77/354390577.db2.gz VCKZIKQXOZLBKB-LPEHRKFASA-N 1 0 271.317 -0.610 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCOC2)CC1 ZINC000490949800 354448486 /nfs/dbraw/zinc/44/84/86/354448486.db2.gz MJHYLXQZXCUXMV-CQSZACIVSA-N 1 0 266.341 -0.401 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](CO)NC(=O)C(C)C ZINC000491308439 354454475 /nfs/dbraw/zinc/45/44/75/354454475.db2.gz USGGTKKVFKJNPH-LBPRGKRZSA-N 1 0 283.372 -0.809 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000491339887 354455060 /nfs/dbraw/zinc/45/50/60/354455060.db2.gz TWOAJFUAIQDTED-STQMWFEESA-N 1 0 283.372 -0.267 20 30 CBEDRO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC000530627194 354589157 /nfs/dbraw/zinc/58/91/57/354589157.db2.gz JRCMHXDNSJOOAS-NSHDSACASA-N 1 0 261.329 -0.076 20 30 CBEDRO C[C@H](C(=O)NCCNc1cc[nH+]cc1)n1cnc(C#N)n1 ZINC000535258042 354600806 /nfs/dbraw/zinc/60/08/06/354600806.db2.gz SGUKLGPWPALIAV-SNVBAGLBSA-N 1 0 285.311 -0.244 20 30 CBEDRO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)n1cnc(C#N)n1 ZINC000547404102 354659780 /nfs/dbraw/zinc/65/97/80/354659780.db2.gz SUSUASQJFNAZPF-MXWKQRLJSA-N 1 0 274.328 -0.269 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566104120 354752623 /nfs/dbraw/zinc/75/26/23/354752623.db2.gz CONIVUZMWNIDGS-AVGNSLFASA-N 1 0 282.388 -0.220 20 30 CBEDRO COC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CCCO1 ZINC000566556496 354771077 /nfs/dbraw/zinc/77/10/77/354771077.db2.gz NNHYINMVOMJXQA-MELADBBJSA-N 1 0 285.388 -0.024 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000567020007 354779742 /nfs/dbraw/zinc/77/97/42/354779742.db2.gz VJWJQEIYTDTVNW-XQQFMLRXSA-N 1 0 295.383 -0.144 20 30 CBEDRO C[C@@H](C#N)S(=O)(=O)N(CCOCCO)CC[NH+](C)C ZINC000568261492 354818540 /nfs/dbraw/zinc/81/85/40/354818540.db2.gz ZHGKFBOXUQGIMA-NSHDSACASA-N 1 0 293.389 -0.899 20 30 CBEDRO O=C(NCC#Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568292439 354820271 /nfs/dbraw/zinc/82/02/71/354820271.db2.gz NCJOYVAGPHRLHS-ZDUSSCGKSA-N 1 0 271.320 -0.368 20 30 CBEDRO C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568372485 354822475 /nfs/dbraw/zinc/82/24/75/354822475.db2.gz DGFQPECTLXMJSX-RYUDHWBXSA-N 1 0 282.388 -0.441 20 30 CBEDRO Cc1ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c(=O)n1C ZINC000568382548 354822776 /nfs/dbraw/zinc/82/27/76/354822776.db2.gz AYHPFKJZFZQAKB-AWEZNQCLSA-N 1 0 292.383 -0.010 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000567706862 354794743 /nfs/dbraw/zinc/79/47/43/354794743.db2.gz AYBSWQUNQUIXCM-LBPRGKRZSA-N 1 0 288.307 -0.473 20 30 CBEDRO C=CCn1cc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)nn1 ZINC000570275039 354857750 /nfs/dbraw/zinc/85/77/50/354857750.db2.gz BYTNTLFYSFNFMA-CYBMUJFWSA-N 1 0 294.359 -0.670 20 30 CBEDRO COC(=O)CN(CC#N)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000573622857 354917193 /nfs/dbraw/zinc/91/71/93/354917193.db2.gz DVHOZDGGWJYNRL-UHFFFAOYSA-N 1 0 293.327 -0.417 20 30 CBEDRO COc1nccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)n1 ZINC000573595080 354916614 /nfs/dbraw/zinc/91/66/14/354916614.db2.gz CWQLPIZZFGIDIQ-GFCCVEGCSA-N 1 0 279.344 -0.219 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)nn1 ZINC000573795566 354921027 /nfs/dbraw/zinc/92/10/27/354921027.db2.gz JGBXQUVVVRZZCV-ZDUSSCGKSA-N 1 0 279.344 -0.349 20 30 CBEDRO CC[NH+]1CCN(CCNc2ncncc2C#N)CC1 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Cn1c(=O)c(C#N)c(N2CC[NH+]3CCC2CC3)n(C)c1=O ZINC000302786225 201554239 /nfs/dbraw/zinc/55/42/39/201554239.db2.gz VVIGFUFIQLRYQX-UHFFFAOYSA-N 1 0 289.339 -0.760 20 30 CBEDRO C[S@@](=O)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000262770500 291447683 /nfs/dbraw/zinc/44/76/83/291447683.db2.gz HMQLLNIVUQHYOP-VVVCHXIZSA-N 1 0 259.375 -0.019 20 30 CBEDRO CN(CC(C)(C)C[NH3+])C(=O)Cn1cnc(C#N)n1 ZINC000574287947 335007447 /nfs/dbraw/zinc/00/74/47/335007447.db2.gz UZMFRFHCNPXUCI-UHFFFAOYSA-N 1 0 250.306 -0.407 20 30 CBEDRO N#Cc1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000574340075 335012408 /nfs/dbraw/zinc/01/24/08/335012408.db2.gz TXQICXSVZFEJBU-CHWSQXEVSA-N 1 0 284.319 -0.058 20 30 CBEDRO CCN(CCC[NH+](C)C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000276287802 193273232 /nfs/dbraw/zinc/27/32/32/193273232.db2.gz ZBANMDJOADFMIV-UHFFFAOYSA-N 1 0 293.371 -0.266 20 30 CBEDRO CC[NH2+]CCNS(=O)(=O)c1cccnc1C#N ZINC000233518364 189820173 /nfs/dbraw/zinc/82/01/73/189820173.db2.gz WAHJKQKNZVQNGC-UHFFFAOYSA-N 1 0 254.315 -0.159 20 30 CBEDRO C=CCCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574412646 335017805 /nfs/dbraw/zinc/01/78/05/335017805.db2.gz COJNHMYNDVIUEJ-NWDGAFQWSA-N 1 0 296.371 -0.468 20 30 CBEDRO CC[C@](C)([NH2+]CCC(=O)N(C)CCC#N)C(N)=O ZINC000092805398 372774731 /nfs/dbraw/zinc/77/47/31/372774731.db2.gz DRNIRBZQIJVCEY-LBPRGKRZSA-N 1 0 254.334 -0.008 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245411769 372882300 /nfs/dbraw/zinc/88/23/00/372882300.db2.gz YKBDFJOHXORHGC-MNOVXSKESA-N 1 0 296.371 -0.026 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278891663 372925797 /nfs/dbraw/zinc/92/57/97/372925797.db2.gz OIKCRTZRMUVTSY-ZWNOBZJWSA-N 1 0 251.330 -0.111 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000294542047 372963250 /nfs/dbraw/zinc/96/32/50/372963250.db2.gz KIFXPXSCHQGHEC-ZDUSSCGKSA-N 1 0 250.298 -0.093 20 30 CBEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329011620 372975607 /nfs/dbraw/zinc/97/56/07/372975607.db2.gz AOOZWEGFKQEBGD-SDDRHHMPSA-N 1 0 294.359 -0.184 20 30 CBEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000330603118 372988335 /nfs/dbraw/zinc/98/83/35/372988335.db2.gz HPBQTTBXWVIRET-GHMZBOCLSA-N 1 0 255.318 -0.560 20 30 CBEDRO C[C@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CCC[N@@H+]1C ZINC000343450081 373051439 /nfs/dbraw/zinc/05/14/39/373051439.db2.gz FFWBFBYDRZCSTI-GXSJLCMTSA-N 1 0 291.355 -0.150 20 30 CBEDRO C=C[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000358703112 373171625 /nfs/dbraw/zinc/17/16/25/373171625.db2.gz KMUUEBBMENCLIE-RYUDHWBXSA-N 1 0 271.361 -0.057 20 30 CBEDRO C=C[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000358717281 373172891 /nfs/dbraw/zinc/17/28/91/373172891.db2.gz CGWAKPMTTSURTG-MNOVXSKESA-N 1 0 256.350 -0.922 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042168912 220193384 /nfs/dbraw/zinc/19/33/84/220193384.db2.gz GUFBIIFUDJQTIM-ZDUSSCGKSA-N 1 0 294.399 -0.425 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000048335383 220193450 /nfs/dbraw/zinc/19/34/50/220193450.db2.gz YSGVEOGAGNORHZ-SECBINFHSA-N 1 0 271.317 -0.261 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(O)CC1 ZINC000043585610 220193545 /nfs/dbraw/zinc/19/35/45/220193545.db2.gz OSNKPLJHIFZMGY-SECBINFHSA-N 1 0 255.318 -0.157 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000071146960 220195785 /nfs/dbraw/zinc/19/57/85/220195785.db2.gz ZDKFMJSHGQPJCP-SNVBAGLBSA-N 1 0 254.334 -0.461 20 30 CBEDRO C[NH+]=C(NCC(=O)NC(C)C)NCc1ccnn1C ZINC000083848326 220198986 /nfs/dbraw/zinc/19/89/86/220198986.db2.gz UCIIHGOIKSMPPA-UHFFFAOYSA-N 1 0 266.349 -0.390 20 30 CBEDRO C=CCNC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000104069213 220201351 /nfs/dbraw/zinc/20/13/51/220201351.db2.gz RWOJCZJAMKNXJR-ZDUSSCGKSA-N 1 0 294.399 -0.297 20 30 CBEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCNC(N)=O ZINC000069576444 220196367 /nfs/dbraw/zinc/19/63/67/220196367.db2.gz FRKZZKUVSJDCJR-UHFFFAOYSA-N 1 0 269.349 -0.261 20 30 CBEDRO CNC(NC[C@@H]1CCC[C@H]1NS(C)(=O)=O)=[NH+]C ZINC000129621865 220209338 /nfs/dbraw/zinc/20/93/38/220209338.db2.gz LUHJJILFQNORIJ-DTWKUNHWSA-N 1 0 262.379 -0.501 20 30 CBEDRO COC(=O)CNC(=O)CC[NH+]1CCC(C#N)CC1 ZINC000111209675 220203284 /nfs/dbraw/zinc/20/32/84/220203284.db2.gz SQEVUTSNQLNYBH-UHFFFAOYSA-N 1 0 253.302 -0.099 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000111265152 220203664 /nfs/dbraw/zinc/20/36/64/220203664.db2.gz GKGQCAPJLLHWSI-QWRGUYRKSA-N 1 0 251.330 -0.418 20 30 CBEDRO C=CC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000121149052 220206544 /nfs/dbraw/zinc/20/65/44/220206544.db2.gz NSOWNUVWNBECLX-UHFFFAOYSA-N 1 0 277.328 -0.449 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000133224104 220211401 /nfs/dbraw/zinc/21/14/01/220211401.db2.gz WVRBANBQWMJIQA-LBPRGKRZSA-N 1 0 254.334 -0.008 20 30 CBEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133927611 220212558 /nfs/dbraw/zinc/21/25/58/220212558.db2.gz NUDHUKJJMJVMCC-SNVBAGLBSA-N 1 0 274.390 -0.109 20 30 CBEDRO CC[NH+]=C(NCCO)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000153274918 220213864 /nfs/dbraw/zinc/21/38/64/220213864.db2.gz BNPPEMIIDNSWOJ-LBPRGKRZSA-N 1 0 281.360 -0.249 20 30 CBEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000151078925 220214576 /nfs/dbraw/zinc/21/45/76/220214576.db2.gz FGDFATRSPBZOEB-KGLIPLIRSA-N 1 0 272.389 -0.062 20 30 CBEDRO C=CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000157171606 220216520 /nfs/dbraw/zinc/21/65/20/220216520.db2.gz QQCPLCAOVMNEBG-UHFFFAOYSA-N 1 0 279.340 -0.144 20 30 CBEDRO C[NH+]=C(NCCNS(=O)(=O)c1cccnc1)NC1CC1 ZINC000157362309 220216675 /nfs/dbraw/zinc/21/66/75/220216675.db2.gz UYLIHNLFLGMIQK-UHFFFAOYSA-N 1 0 297.384 -0.313 20 30 CBEDRO C=CCNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155830632 220216777 /nfs/dbraw/zinc/21/67/77/220216777.db2.gz VLSGVPKVXYYDGI-UHFFFAOYSA-N 1 0 276.344 -0.170 20 30 CBEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000126430573 220209820 /nfs/dbraw/zinc/20/98/20/220209820.db2.gz IICRQHWTXAKMNI-VXGBXAGGSA-N 1 0 291.417 -0.181 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CC)C(N)=O ZINC000133224324 220210831 /nfs/dbraw/zinc/21/08/31/220210831.db2.gz WVRBANBQWMJIQA-GFCCVEGCSA-N 1 0 254.334 -0.008 20 30 CBEDRO CCCNC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000133855916 220211185 /nfs/dbraw/zinc/21/11/85/220211185.db2.gz QZDHIDMJXDBPBU-SECBINFHSA-N 1 0 262.379 -0.418 20 30 CBEDRO CN(C)C(=[NH2+])NCCS(=O)(=O)NCC1CCC1 ZINC000178573618 220222824 /nfs/dbraw/zinc/22/28/24/220222824.db2.gz DOTOSWJONLIYOV-UHFFFAOYSA-N 1 0 262.379 -0.418 20 30 CBEDRO CNC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000161554024 220218534 /nfs/dbraw/zinc/21/85/34/220218534.db2.gz QTXQIZYSTHKTLV-UHFFFAOYSA-N 1 0 270.358 -0.360 20 30 CBEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CC1(C#N)CC1 ZINC000166132940 220219031 /nfs/dbraw/zinc/21/90/31/220219031.db2.gz GZWHCBBEFHADRJ-JTQLQIEISA-N 1 0 275.374 -0.478 20 30 CBEDRO C[C@H]1CCCN(C(=[NH2+])NCC2CN(S(C)(=O)=O)C2)C1 ZINC000186886698 220229441 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CBEDRO C[NH+]1CCC(C#N)(NC(=O)C(=O)NCC2CC2)CC1 ZINC000516477204 373813819 /nfs/dbraw/zinc/81/38/19/373813819.db2.gz AEPGKQFEHAWCRQ-UHFFFAOYSA-N 1 0 264.329 -0.383 20 30 CBEDRO [NH2+]=C(NC[C@@H]1CCOC1)N1CCN(c2ncccn2)CC1 ZINC000262002089 220246390 /nfs/dbraw/zinc/24/63/90/220246390.db2.gz QDHYCRAGJWAFHD-LBPRGKRZSA-N 1 0 290.371 -0.050 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CC1)N(C)C[C@H]1CCOC1 ZINC000261684602 220244331 /nfs/dbraw/zinc/24/43/31/220244331.db2.gz QZBUERYTWOVTEQ-SNVBAGLBSA-N 1 0 268.361 -0.191 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N(C)C[C@H]1CCOC1 ZINC000261739599 220244756 /nfs/dbraw/zinc/24/47/56/220244756.db2.gz ZHAAZWGFPCKGKM-SNVBAGLBSA-N 1 0 256.350 -0.382 20 30 CBEDRO C[C@@H]1CCCN(C(=[NH2+])NCCNS(C)(=O)=O)C1 ZINC000261995625 220245284 /nfs/dbraw/zinc/24/52/84/220245284.db2.gz NPBZTNWEGHJQCT-SECBINFHSA-N 1 0 262.379 -0.418 20 30 CBEDRO CC(=O)N1CCN(CC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000261965884 220245446 /nfs/dbraw/zinc/24/54/46/220245446.db2.gz BFMWBNWNEHGIDP-UHFFFAOYSA-N 1 0 269.393 -0.370 20 30 CBEDRO C#CCCNC(N[C@@H]1CCc2nc(COC)nn2C1)=[NH+]C ZINC000261957290 220245679 /nfs/dbraw/zinc/24/56/79/220245679.db2.gz JDXXSUROKSYTHX-LLVKDONJSA-N 1 0 290.371 -0.072 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N1CCC[C@H](CC(N)=O)C1 ZINC000261864537 220245807 /nfs/dbraw/zinc/24/58/07/220245807.db2.gz ZSVBTHZNQCZFJS-LLVKDONJSA-N 1 0 293.375 -0.559 20 30 CBEDRO C[NH+]=C(NCC1(O)CCC1)N1CCO[C@H](COC)C1 ZINC000261930555 220246045 /nfs/dbraw/zinc/24/60/45/220246045.db2.gz LMHRXJGAIVZMOO-NSHDSACASA-N 1 0 271.361 -0.176 20 30 CBEDRO CCCNC(=[NH2+])NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000261947933 220246231 /nfs/dbraw/zinc/24/62/31/220246231.db2.gz OYCNPPHTUOMZRZ-VIFPVBQESA-N 1 0 278.360 -0.141 20 30 CBEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249578616 220241473 /nfs/dbraw/zinc/24/14/73/220241473.db2.gz MYNJNJZFMYOLNA-LJWDBELGSA-N 1 0 278.356 -0.091 20 30 CBEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262113505 220247449 /nfs/dbraw/zinc/24/74/49/220247449.db2.gz KVIJIBRTFLEYCJ-JTQLQIEISA-N 1 0 274.390 -0.109 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000262218351 220247581 /nfs/dbraw/zinc/24/75/81/220247581.db2.gz JXPKEUNLSQOLJN-UHFFFAOYSA-N 1 0 261.347 -0.766 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)NCc1ccco1 ZINC000262071034 220247674 /nfs/dbraw/zinc/24/76/74/220247674.db2.gz CHQAHBAMEPXGSK-UHFFFAOYSA-N 1 0 259.331 -0.011 20 30 CBEDRO CCN(CC)C(=[NH2+])NCCN1CCCS1(=O)=O ZINC000262015150 220248149 /nfs/dbraw/zinc/24/81/49/220248149.db2.gz VSAAYAJPLWEZDV-UHFFFAOYSA-N 1 0 262.379 -0.322 20 30 CBEDRO [NH2+]=C(NCCN1CCNC(=O)C1)NC1CCCCC1 ZINC000262251665 220248177 /nfs/dbraw/zinc/24/81/77/220248177.db2.gz QOQZIVRANLDHHX-UHFFFAOYSA-N 1 0 267.377 -0.345 20 30 CBEDRO [NH2+]=C(NC[C@@H]1COC2(CCOCC2)O1)N1CCOCC1 ZINC000262126697 220248395 /nfs/dbraw/zinc/24/83/95/220248395.db2.gz KHCIPROJILTZCS-LLVKDONJSA-N 1 0 285.344 -0.445 20 30 CBEDRO COc1ccc(CNC2=[NH+]CCN2C)cc1S(N)(=O)=O ZINC000262240883 220248609 /nfs/dbraw/zinc/24/86/09/220248609.db2.gz BLMUBVCTYXGDQK-UHFFFAOYSA-N 1 0 298.368 -0.266 20 30 CBEDRO [NH2+]=C(NCCN1CCNC(=O)C1)Nc1ccccc1 ZINC000262259554 220249386 /nfs/dbraw/zinc/24/93/86/220249386.db2.gz RVSADMBSKKOJJV-UHFFFAOYSA-N 1 0 261.329 -0.155 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[C@H](C(=O)N(C)C)O2)CCO1 ZINC000262304808 220250052 /nfs/dbraw/zinc/25/00/52/220250052.db2.gz AEFJGCJNHGUFBM-IJLUTSLNSA-N 1 0 298.387 -0.342 20 30 CBEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H](COC)C1 ZINC000262454684 220250791 /nfs/dbraw/zinc/25/07/91/220250791.db2.gz KTMITNTWMBGIAN-JTQLQIEISA-N 1 0 292.405 -0.921 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCCN2CCOC[C@@H]2C)CCO1 ZINC000262476345 220251267 /nfs/dbraw/zinc/25/12/67/220251267.db2.gz QFKMBCGJDIRWGG-NWDGAFQWSA-N 1 0 270.377 -0.258 20 30 CBEDRO NC(=O)c1coc(CNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000262404738 220251403 /nfs/dbraw/zinc/25/14/03/220251403.db2.gz BBBAQIVTDJZHFL-SECBINFHSA-N 1 0 266.301 -0.038 20 30 CBEDRO [NH2+]=C(NCC(=O)NCC(F)F)N1CCSCC1 ZINC000262448530 220251728 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C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262503436 220252891 /nfs/dbraw/zinc/25/28/91/220252891.db2.gz ZCSADFJPLQZLQD-SCVCMEIPSA-N 1 0 257.334 -0.438 20 30 CBEDRO C#CCNC(NC[C@]1(N2CCOCC2)CCSC1)=[NH+]C ZINC000262623949 220252908 /nfs/dbraw/zinc/25/29/08/220252908.db2.gz IBDHVWAUKKBWTP-CQSZACIVSA-N 1 0 296.440 -0.008 20 30 CBEDRO C#CCNC(NCCN1CCOC[C@H]1C)=[NH+]CC ZINC000262629001 220253058 /nfs/dbraw/zinc/25/30/58/220253058.db2.gz UXEPDUXEXJHGPA-GFCCVEGCSA-N 1 0 252.362 -0.105 20 30 CBEDRO [NH2+]=C(NCCS(=O)(=O)CC1CC1)N1CCOCC1 ZINC000262495729 220253142 /nfs/dbraw/zinc/25/31/42/220253142.db2.gz WKJDHBWTTVHAAV-UHFFFAOYSA-N 1 0 275.374 -0.542 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@]2(O)CCSC2)CCO1 ZINC000262500909 220253158 /nfs/dbraw/zinc/25/31/58/220253158.db2.gz YGXKZNWMRRURGL-MWLCHTKSSA-N 1 0 259.375 -0.110 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@]2(O)CCSC2)CCO1 ZINC000262500904 220253287 /nfs/dbraw/zinc/25/32/87/220253287.db2.gz YGXKZNWMRRURGL-GXSJLCMTSA-N 1 0 259.375 -0.110 20 30 CBEDRO N#Cc1ccc([C@@H](NC[C@H]2C[NH+]3CCN2CC3)C(N)=O)cc1 ZINC000533010152 374180036 /nfs/dbraw/zinc/18/00/36/374180036.db2.gz RYQJWKGEJDTGMS-LSDHHAIUSA-N 1 0 299.378 -0.326 20 30 CBEDRO Cn1c(NCC[NH+]2CCC2)c(C#N)c(=O)n(C)c1=O ZINC000532781362 374175453 /nfs/dbraw/zinc/17/54/53/374175453.db2.gz UQZFOAGWVLDFRD-UHFFFAOYSA-N 1 0 263.301 -0.927 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC000563704837 374323202 /nfs/dbraw/zinc/32/32/02/374323202.db2.gz BFVPQEOGIDWESE-VXGBXAGGSA-N 1 0 268.361 -0.597 20 30 CBEDRO C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000583820531 374370149 /nfs/dbraw/zinc/37/01/49/374370149.db2.gz HJYYTHFBKYQPHW-SNVBAGLBSA-N 1 0 282.344 -0.449 20 30 CBEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000577953040 374346581 /nfs/dbraw/zinc/34/65/81/374346581.db2.gz OASYNASJWYGDBY-NWANDNLSSA-N 1 0 292.335 -0.158 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000645269485 374655214 /nfs/dbraw/zinc/65/52/14/374655214.db2.gz OVCAJOOIYZQEEV-ZIAGYGMSSA-N 1 0 296.415 -0.304 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000645517644 374678684 /nfs/dbraw/zinc/67/86/84/374678684.db2.gz RTBGHMRXSRUZKI-ZDUSSCGKSA-N 1 0 283.372 -0.218 20 30 CBEDRO C=C(C)CS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645835069 374705751 /nfs/dbraw/zinc/70/57/51/374705751.db2.gz GQSJEPWZUZVAGA-LLVKDONJSA-N 1 0 289.401 -0.056 20 30 CBEDRO C=CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000646076297 374738842 /nfs/dbraw/zinc/73/88/42/374738842.db2.gz HNFOYEQCCZZQAY-HZMBPMFUSA-N 1 0 294.355 -0.272 20 30 CBEDRO C=C[C@H](O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000646874474 374833202 /nfs/dbraw/zinc/83/32/02/374833202.db2.gz LZUIULNFFBYTHV-RYUDHWBXSA-N 1 0 255.362 -0.467 20 30 CBEDRO Cn1ncc(C(=O)NCC2CC[NH+](CCO)CC2)c1C#N ZINC000356398155 248244181 /nfs/dbraw/zinc/24/41/81/248244181.db2.gz QPCUTTIPZXWOEL-UHFFFAOYSA-N 1 0 291.355 -0.274 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001321575847 803785478 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ZINC000913522760 657488464 /nfs/dbraw/zinc/48/84/64/657488464.db2.gz XQFIGAGGUDMAGE-UHFFFAOYSA-N 1 0 262.313 -0.040 20 30 CBEDRO Cc1occc1C(=O)NCC(=O)NCC#CC[NH+](C)C ZINC000913521388 657489094 /nfs/dbraw/zinc/48/90/94/657489094.db2.gz XKBATMQECXRCLX-UHFFFAOYSA-N 1 0 277.324 -0.001 20 30 CBEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)n1cnc(C#N)n1 ZINC000913521966 657489263 /nfs/dbraw/zinc/48/92/63/657489263.db2.gz VBGFFQPFOJLZLN-SNVBAGLBSA-N 1 0 260.301 -0.608 20 30 CBEDRO CO[C@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)N(C(C)=O)C1 ZINC000913521940 657489506 /nfs/dbraw/zinc/48/95/06/657489506.db2.gz UGADUUFQHINGRM-QWHCGFSZSA-N 1 0 281.356 -0.697 20 30 CBEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001015635952 657490474 /nfs/dbraw/zinc/49/04/74/657490474.db2.gz YZBLQPMKJABHKA-ZJUUUORDSA-N 1 0 252.318 -0.566 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)C(C)(C)N1CCOCC1 ZINC000913522007 657491244 /nfs/dbraw/zinc/49/12/44/657491244.db2.gz WILYAHKMYHORHA-UHFFFAOYSA-N 1 0 267.373 -0.222 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)CC[C@@H]1CCC(=O)N1 ZINC000913523036 657492457 /nfs/dbraw/zinc/49/24/57/657492457.db2.gz JZQFQOJOBJLRJK-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC000913523092 657492913 /nfs/dbraw/zinc/49/29/13/657492913.db2.gz LTWSRRVVPVQPEA-NSHDSACASA-N 1 0 276.344 -0.693 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001015716271 657527365 /nfs/dbraw/zinc/52/73/65/657527365.db2.gz QZEBHDJUEHEDCG-FRRDWIJNSA-N 1 0 277.368 -0.076 20 30 CBEDRO CN1CCN(C(=O)c2cccc(C#CCO)c2)C[C@H]1CO ZINC000913555813 657549418 /nfs/dbraw/zinc/54/94/18/657549418.db2.gz LQGCPNPPTBKLAW-HNNXBMFYSA-N 1 0 288.347 -0.221 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)C2)nn1 ZINC001015810950 657553039 /nfs/dbraw/zinc/55/30/39/657553039.db2.gz VTAWXIGBVKSSHP-WDEREUQCSA-N 1 0 279.344 -0.351 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC000913575080 657560256 /nfs/dbraw/zinc/56/02/56/657560256.db2.gz 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657625103 /nfs/dbraw/zinc/62/51/03/657625103.db2.gz CKLAQPRZQYJOOF-LLVKDONJSA-N 1 0 292.339 -0.906 20 30 CBEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015985849 657625425 /nfs/dbraw/zinc/62/54/25/657625425.db2.gz AYTYLQUCMATEFU-NSHDSACASA-N 1 0 294.355 -0.353 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 ZINC001016057399 657638182 /nfs/dbraw/zinc/63/81/82/657638182.db2.gz LKDUPEOVXLXSKN-ZDUSSCGKSA-N 1 0 288.351 -0.234 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000914017388 657645561 /nfs/dbraw/zinc/64/55/61/657645561.db2.gz YQAURSCKHLVXSN-AWEZNQCLSA-N 1 0 296.415 -0.304 20 30 CBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001016284931 657681060 /nfs/dbraw/zinc/68/10/60/657681060.db2.gz VCGVTTGJVJYWPL-ZJUUUORDSA-N 1 0 273.358 -0.945 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001016293827 657683564 /nfs/dbraw/zinc/68/35/64/657683564.db2.gz DMFHRVRHGMFCQC-KGLIPLIRSA-N 1 0 293.367 -0.553 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016352402 657692762 /nfs/dbraw/zinc/69/27/62/657692762.db2.gz ADTPKFBQWFGVQG-JTQLQIEISA-N 1 0 264.329 -0.286 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016354833 657694313 /nfs/dbraw/zinc/69/43/13/657694313.db2.gz QOGRKZHSAAJSPX-LLVKDONJSA-N 1 0 276.340 -0.449 20 30 CBEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016439249 657711535 /nfs/dbraw/zinc/71/15/35/657711535.db2.gz VKXFITXJBFAAEF-WDEREUQCSA-N 1 0 279.340 -0.194 20 30 CBEDRO C#CC[NH+]1CCC2(C[C@H]2NC(=O)c2nnn(C)n2)CC1 ZINC001016778203 657729695 /nfs/dbraw/zinc/72/96/95/657729695.db2.gz RNJHVSZREKAPGX-SNVBAGLBSA-N 1 0 274.328 -0.572 20 30 CBEDRO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001016803063 657733036 /nfs/dbraw/zinc/73/30/36/657733036.db2.gz MXXKTHBTLARNNL-RYUDHWBXSA-N 1 0 290.367 -0.338 20 30 CBEDRO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001016802112 657733556 /nfs/dbraw/zinc/73/35/56/657733556.db2.gz DMCPAJULAOJWTF-GHMZBOCLSA-N 1 0 278.356 -0.176 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnnn1 ZINC001017341120 657753592 /nfs/dbraw/zinc/75/35/92/657753592.db2.gz SXMWDXDXKJCUHC-TXEJJXNPSA-N 1 0 274.328 -0.628 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CN=NC1=O ZINC001017493713 657761359 /nfs/dbraw/zinc/76/13/59/657761359.db2.gz CXHOHVBJQJGYNG-TXEJJXNPSA-N 1 0 289.339 -0.318 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000916330023 657768668 /nfs/dbraw/zinc/76/86/68/657768668.db2.gz FFWRTYOYAYYHCC-UHFFFAOYSA-N 1 0 296.415 -0.039 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cnnn1 ZINC001018103565 657794522 /nfs/dbraw/zinc/79/45/22/657794522.db2.gz QNUUVGGAHXZVFQ-BETUJISGSA-N 1 0 288.355 -0.238 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001018619473 657826711 /nfs/dbraw/zinc/82/67/11/657826711.db2.gz XKELBXUYJNBBSA-MNOVXSKESA-N 1 0 292.339 -0.514 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001018616919 657826990 /nfs/dbraw/zinc/82/69/90/657826990.db2.gz AXNVEBCWIKGFOI-RYUDHWBXSA-N 1 0 278.356 -0.041 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018731975 657842013 /nfs/dbraw/zinc/84/20/13/657842013.db2.gz MDPMULQELXKSJE-LBPRGKRZSA-N 1 0 253.346 -0.305 20 30 CBEDRO O=C(C#CC1CC1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001018826514 657849157 /nfs/dbraw/zinc/84/91/57/657849157.db2.gz FSPWTIBEPDXRNP-NWDGAFQWSA-N 1 0 289.335 -0.605 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(CCOC)nn2)C1 ZINC001018835379 657849418 /nfs/dbraw/zinc/84/94/18/657849418.db2.gz FBSPCJXVRQGPDW-NSHDSACASA-N 1 0 279.344 -0.085 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018865911 657851239 /nfs/dbraw/zinc/85/12/39/657851239.db2.gz WBIUXOBTBJQSAB-TUAOUCFPSA-N 1 0 281.356 -0.357 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001018905068 657851857 /nfs/dbraw/zinc/85/18/57/657851857.db2.gz QTXMSIWFEYRQQZ-NSHDSACASA-N 1 0 272.370 -0.202 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001018934627 657854097 /nfs/dbraw/zinc/85/40/97/657854097.db2.gz VALXNGGTGDOVMV-STQMWFEESA-N 1 0 293.367 -0.695 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001018956488 657855247 /nfs/dbraw/zinc/85/52/47/657855247.db2.gz DCHVSOFAERYVLM-RYUDHWBXSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000919641452 657856358 /nfs/dbraw/zinc/85/63/58/657856358.db2.gz GWGHHGFHJPFNSE-NWDGAFQWSA-N 1 0 269.345 -0.610 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001018989754 657857187 /nfs/dbraw/zinc/85/71/87/657857187.db2.gz UPLDZSMJRLFRDG-SRVKXCTJSA-N 1 0 252.314 -0.386 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000919757992 657859204 /nfs/dbraw/zinc/85/92/04/657859204.db2.gz KCMJETFXJNKSGA-GFCCVEGCSA-N 1 0 278.356 -0.386 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001019015998 657859427 /nfs/dbraw/zinc/85/94/27/657859427.db2.gz ZGUPOSIWEGZOPL-NSHDSACASA-N 1 0 284.323 -0.130 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001019047605 657860094 /nfs/dbraw/zinc/86/00/94/657860094.db2.gz GYIHOYIDZMHPHF-UWVGGRQHSA-N 1 0 260.359 -0.204 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC2CS(=O)(=O)C2)C1 ZINC001019062375 657860873 /nfs/dbraw/zinc/86/08/73/657860873.db2.gz RPWUOCDNKHHMNL-NSHDSACASA-N 1 0 272.370 -0.202 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001019062512 657861196 /nfs/dbraw/zinc/86/11/96/657861196.db2.gz ZNGCNRDZJQUOOQ-LBPRGKRZSA-N 1 0 280.372 -0.863 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001019127336 657865257 /nfs/dbraw/zinc/86/52/57/657865257.db2.gz IRQRXXXDJRKDCO-VIFPVBQESA-N 1 0 270.296 -0.210 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001019182743 657869082 /nfs/dbraw/zinc/86/90/82/657869082.db2.gz IUINXSFSBYDSBF-GWCFXTLKSA-N 1 0 251.330 -0.111 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001019227478 657873262 /nfs/dbraw/zinc/87/32/62/657873262.db2.gz CPDDTWHAQKNYAK-NWDGAFQWSA-N 1 0 263.341 -0.179 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)NCC[N@@H+](C)CCCOC ZINC000920421166 657874468 /nfs/dbraw/zinc/87/44/68/657874468.db2.gz IKHDXHKHSSQITF-LBPRGKRZSA-N 1 0 271.361 -0.362 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000920453092 657876204 /nfs/dbraw/zinc/87/62/04/657876204.db2.gz XFIJEONHNDOIFL-KGLIPLIRSA-N 1 0 296.415 -0.447 20 30 CBEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019257753 657877629 /nfs/dbraw/zinc/87/76/29/657877629.db2.gz DSHVWYCOEYDTHP-QMMMGPOBSA-N 1 0 270.724 -0.233 20 30 CBEDRO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]CCO)C2)c1 ZINC001019357225 657888853 /nfs/dbraw/zinc/88/88/53/657888853.db2.gz AMSLSQRFHGZEFZ-ZDUSSCGKSA-N 1 0 259.309 -0.141 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001019414432 657894603 /nfs/dbraw/zinc/89/46/03/657894603.db2.gz LRRUBQQSGBITEP-NSHDSACASA-N 1 0 288.351 -0.212 20 30 CBEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]C[C@H](C)O)C2)nn1 ZINC001019482012 657898009 /nfs/dbraw/zinc/89/80/09/657898009.db2.gz CIZBZDVGWLPVJY-QWRGUYRKSA-N 1 0 279.344 -0.351 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001019608603 657917409 /nfs/dbraw/zinc/91/74/09/657917409.db2.gz QODCHXICLYDAIC-JTQLQIEISA-N 1 0 294.355 -0.307 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(OC)nn2)C1 ZINC001019608209 657919716 /nfs/dbraw/zinc/91/97/16/657919716.db2.gz JKBWAFUWWXLLBV-JTQLQIEISA-N 1 0 260.297 -0.078 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001019735886 657932542 /nfs/dbraw/zinc/93/25/42/657932542.db2.gz QAEXGMVTIKLQFQ-JTQLQIEISA-N 1 0 294.355 -0.307 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001019747723 657933104 /nfs/dbraw/zinc/93/31/04/657933104.db2.gz GWZGYICGAGCXRM-JTQLQIEISA-N 1 0 280.328 -0.743 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001019768116 657935568 /nfs/dbraw/zinc/93/55/68/657935568.db2.gz AKBBUPBLHGAZDN-JTQLQIEISA-N 1 0 292.339 -0.134 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019785137 657941103 /nfs/dbraw/zinc/94/11/03/657941103.db2.gz URWMGDNTDUEMEZ-QWRGUYRKSA-N 1 0 287.385 -0.555 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001019794951 657941340 /nfs/dbraw/zinc/94/13/40/657941340.db2.gz BLECNCVQQVDRTC-QWRGUYRKSA-N 1 0 272.370 -0.060 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001019800639 657944383 /nfs/dbraw/zinc/94/43/83/657944383.db2.gz SKZDSLPHRREIHB-QWHCGFSZSA-N 1 0 265.357 -0.469 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001019837470 657950531 /nfs/dbraw/zinc/95/05/31/657950531.db2.gz VLPUJYPPRCIGER-JTQLQIEISA-N 1 0 264.329 -0.286 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001019837964 657951211 /nfs/dbraw/zinc/95/12/11/657951211.db2.gz DOOHZPNPJUAJBI-QWHCGFSZSA-N 1 0 263.341 -0.179 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)NCC(=O)NCC2CC2)CC1 ZINC000921839677 657951819 /nfs/dbraw/zinc/95/18/19/657951819.db2.gz WMXQIBSNBZDMER-UHFFFAOYSA-N 1 0 292.383 -0.091 20 30 CBEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892559 657957758 /nfs/dbraw/zinc/95/77/58/657957758.db2.gz PGIVRHCZABKDLO-UWVGGRQHSA-N 1 0 299.758 -0.018 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892249 657958602 /nfs/dbraw/zinc/95/86/02/657958602.db2.gz AVOFELFLTZRQEV-MNOVXSKESA-N 1 0 279.340 -0.194 20 30 CBEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)NCC ZINC000922022912 657976524 /nfs/dbraw/zinc/97/65/24/657976524.db2.gz DKIXSFJUQAUBES-UHFFFAOYSA-N 1 0 259.375 -0.130 20 30 CBEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)N(C)C ZINC000922026117 657977621 /nfs/dbraw/zinc/97/76/21/657977621.db2.gz LQQWHFBMHIYCEN-UHFFFAOYSA-N 1 0 259.375 -0.178 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)c1 ZINC001020058454 658000823 /nfs/dbraw/zinc/00/08/23/658000823.db2.gz IVXQNXKYKVQQAR-GMTAPVOTSA-N 1 0 287.323 -0.375 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020167871 658022532 /nfs/dbraw/zinc/02/25/32/658022532.db2.gz JSFVTPHDQNYRDO-KKOKHZNYSA-N 1 0 281.356 -0.310 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194540 658023947 /nfs/dbraw/zinc/02/39/47/658023947.db2.gz VNMXTYJIPNGMNO-MGCOHNPYSA-N 1 0 258.343 -0.546 20 30 CBEDRO N#CCN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178952 658024833 /nfs/dbraw/zinc/02/48/33/658024833.db2.gz JUOYMTMNUSQKMJ-LPWJVIDDSA-N 1 0 278.356 -0.390 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001020232044 658028403 /nfs/dbraw/zinc/02/84/03/658028403.db2.gz IUVMTDFOGARMBK-DCAQKATOSA-N 1 0 251.330 -0.065 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001020243642 658029297 /nfs/dbraw/zinc/02/92/97/658029297.db2.gz SJZKCLXLKGODBS-MGCOHNPYSA-N 1 0 270.296 -0.164 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001020232568 658030228 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CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001020378964 658045271 /nfs/dbraw/zinc/04/52/71/658045271.db2.gz NPDSYIASBCRFKZ-KYZUINATSA-N 1 0 270.296 -0.164 20 30 CBEDRO C[C@@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000922448813 658045467 /nfs/dbraw/zinc/04/54/67/658045467.db2.gz LVIHHTNGSASZCB-ZJUUUORDSA-N 1 0 277.332 -0.458 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001020395377 658045825 /nfs/dbraw/zinc/04/58/25/658045825.db2.gz DMTQXUBVMGLFDW-MGCOHNPYSA-N 1 0 275.308 -0.133 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001020462491 658053662 /nfs/dbraw/zinc/05/36/62/658053662.db2.gz FFGAUCYTUXYUTR-XYPYZODXSA-N 1 0 270.296 -0.392 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001020466445 658056094 /nfs/dbraw/zinc/05/60/94/658056094.db2.gz MPPLPYSDTRLRJP-XWLWVQCSSA-N 1 0 251.330 -0.079 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@H]1COCO1 ZINC000922628428 658064051 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CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020605715 658080197 /nfs/dbraw/zinc/08/01/97/658080197.db2.gz WHSMZSHUJCUOCW-KKOKHZNYSA-N 1 0 254.330 -0.193 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC001020721554 658084079 /nfs/dbraw/zinc/08/40/79/658084079.db2.gz RXZUDKDDIYUVMA-GMTAPVOTSA-N 1 0 287.385 -0.557 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001020751616 658086408 /nfs/dbraw/zinc/08/64/08/658086408.db2.gz NPNLCSLDBNVRKD-XYPYZODXSA-N 1 0 299.334 -0.185 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)N[C@H]2COC[C@H]2OC)CC1 ZINC000922858758 658089003 /nfs/dbraw/zinc/08/90/03/658089003.db2.gz DURUJSIYINZFCT-QWHCGFSZSA-N 1 0 281.356 -0.203 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001020918711 658116898 /nfs/dbraw/zinc/11/68/98/658116898.db2.gz BAXQYFNNCKVZMZ-MGCOHNPYSA-N 1 0 285.307 -0.082 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001020995327 658127640 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ZINC001084575866 806523866 /nfs/dbraw/zinc/52/38/66/806523866.db2.gz SMZHPNNTYWNUJQ-IJLUTSLNSA-N 1 0 263.341 -0.159 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001084577508 806525146 /nfs/dbraw/zinc/52/51/46/806525146.db2.gz OPYIASVQIWBQMD-JHJVBQTASA-N 1 0 290.367 -0.434 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001084620530 806527587 /nfs/dbraw/zinc/52/75/87/806527587.db2.gz LSEWZFQVYNDCBM-GRYCIOLGSA-N 1 0 276.340 -0.776 20 30 CBEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001084659042 806529244 /nfs/dbraw/zinc/52/92/44/806529244.db2.gz LEGZDSVMZXNYHD-FVCCEPFGSA-N 1 0 293.367 -0.262 20 30 CBEDRO C=CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)nn1 ZINC001084708921 806533684 /nfs/dbraw/zinc/53/36/84/806533684.db2.gz ZWVIWDQILRKCTL-DGCLKSJQSA-N 1 0 291.355 -0.397 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737887 806535694 /nfs/dbraw/zinc/53/56/94/806535694.db2.gz 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C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085816621 806613354 /nfs/dbraw/zinc/61/33/54/806613354.db2.gz BNHMOMNTLUVZQR-RWMBFGLXSA-N 1 0 293.367 -0.425 20 30 CBEDRO C=CCn1cc(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](C)O)nn1 ZINC001085861811 806617037 /nfs/dbraw/zinc/61/70/37/806617037.db2.gz HGNVRYJWJFZFDU-NWDGAFQWSA-N 1 0 293.371 -0.009 20 30 CBEDRO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](C)O)nn1 ZINC001085861812 806617890 /nfs/dbraw/zinc/61/78/90/806617890.db2.gz HGNVRYJWJFZFDU-RYUDHWBXSA-N 1 0 293.371 -0.009 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001022782738 798841230 /nfs/dbraw/zinc/84/12/30/798841230.db2.gz FZFBLSIXVSQTMO-YIZRAAEISA-N 1 0 266.301 -0.993 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC001022839732 798843212 /nfs/dbraw/zinc/84/32/12/798843212.db2.gz RXZUDKDDIYUVMA-AXFHLTTASA-N 1 0 287.385 -0.557 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)nn1 ZINC001022825364 798843663 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CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001023162870 798887490 /nfs/dbraw/zinc/88/74/90/798887490.db2.gz OJCHFWXWWHNARC-PHIMTYICSA-N 1 0 272.308 -0.336 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001023158244 798887685 /nfs/dbraw/zinc/88/76/85/798887685.db2.gz HOCQEKXGYNPDOS-PHIMTYICSA-N 1 0 272.308 -0.336 20 30 CBEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001023313740 798900221 /nfs/dbraw/zinc/90/02/21/798900221.db2.gz AWVVRQUJHWTPDQ-KGLIPLIRSA-N 1 0 279.384 -0.222 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001023453716 798906370 /nfs/dbraw/zinc/90/63/70/798906370.db2.gz GFNBZXFBBCDMEU-STQMWFEESA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001023426754 798907084 /nfs/dbraw/zinc/90/70/84/798907084.db2.gz WLCNQFHPTUJOMZ-LBPRGKRZSA-N 1 0 288.351 -0.145 20 30 CBEDRO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001023530198 798909673 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CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001023541401 798912100 /nfs/dbraw/zinc/91/21/00/798912100.db2.gz NNLYEYMKBOHCIL-LLVKDONJSA-N 1 0 276.344 -0.325 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001023541893 798912111 /nfs/dbraw/zinc/91/21/11/798912111.db2.gz SYZLSDPBECDQFU-QWHCGFSZSA-N 1 0 277.368 -0.074 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001023778364 798921409 /nfs/dbraw/zinc/92/14/09/798921409.db2.gz RFQAFOMWLQMGOH-STQMWFEESA-N 1 0 292.383 -0.009 20 30 CBEDRO C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001024422269 798937272 /nfs/dbraw/zinc/93/72/72/798937272.db2.gz MBNBAMRXHXRGGO-WDEREUQCSA-N 1 0 265.313 -0.301 20 30 CBEDRO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001024487334 798939008 /nfs/dbraw/zinc/93/90/08/798939008.db2.gz HEARLTJZRWUCSF-LBPRGKRZSA-N 1 0 288.351 -0.002 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001025705099 798969056 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298.346 -0.509 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114913042 812167070 /nfs/dbraw/zinc/16/70/70/812167070.db2.gz QVCYBPVYZZGUGT-RMRHIDDWSA-N 1 0 278.352 -0.281 20 30 CBEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114947246 812168637 /nfs/dbraw/zinc/16/86/37/812168637.db2.gz FTQYKFVUMZJBCY-YABSGUDNSA-N 1 0 263.341 -0.466 20 30 CBEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cnnn1 ZINC001115017915 812173184 /nfs/dbraw/zinc/17/31/84/812173184.db2.gz ITHFAWUIEBQXNZ-PJXYFTJBSA-N 1 0 274.328 -0.867 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(=O)NCC1CC1 ZINC001115036736 812174135 /nfs/dbraw/zinc/17/41/35/812174135.db2.gz YFFLNHYTVXFMJN-ITGUQSILSA-N 1 0 275.352 -0.418 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC ZINC001115140454 812180833 /nfs/dbraw/zinc/18/08/33/812180833.db2.gz YQXWOQIRLXJMSO-JYAVWHMHSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCCOCC 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N#Cc1c(N[C@H](CO)C(N)=O)ncc2c1CCC[NH2+]C2 ZINC001158437214 815530106 /nfs/dbraw/zinc/53/01/06/815530106.db2.gz QSNZSTBAAFWZJZ-LLVKDONJSA-N 1 0 275.312 -0.753 20 30 CBEDRO CN(C)C(=O)CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118281755 812518108 /nfs/dbraw/zinc/51/81/08/812518108.db2.gz NRSSFVNPFQCDAX-GFCCVEGCSA-N 1 0 295.387 -0.760 20 30 CBEDRO O=C(CC[NH2+]C1CC1)NCCNC(=O)C1N=CC=CC1=O ZINC001118322888 812529476 /nfs/dbraw/zinc/52/94/76/812529476.db2.gz VFRGPOYHLBCGDA-BUHFOSPRSA-N 1 0 292.339 -0.229 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001118335439 812533584 /nfs/dbraw/zinc/53/35/84/812533584.db2.gz YAJNVCUDXWNXKP-UHFFFAOYSA-N 1 0 278.312 -0.610 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118341756 812535579 /nfs/dbraw/zinc/53/55/79/812535579.db2.gz AKAODDYBFQTWHP-TXEJJXNPSA-N 1 0 297.424 -0.075 20 30 CBEDRO C=C(C)CNC(=[NH2+])NC[C@]1(O)CCS(=O)(=O)C1 ZINC001118349456 812535702 /nfs/dbraw/zinc/53/57/02/812535702.db2.gz AFWQXGRQTKSBMN-SNVBAGLBSA-N 1 0 261.347 -0.774 20 30 CBEDRO C[C@H](CCNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC001118434117 812547720 /nfs/dbraw/zinc/54/77/20/812547720.db2.gz PQVMYKPTSFNOKP-SNVBAGLBSA-N 1 0 292.343 -0.198 20 30 CBEDRO N#CCNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485813 815535731 /nfs/dbraw/zinc/53/57/31/815535731.db2.gz AHZQDQUCFBHYPI-NWDGAFQWSA-N 1 0 266.345 -0.531 20 30 CBEDRO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)S(C)(=O)=O ZINC001118575333 812581858 /nfs/dbraw/zinc/58/18/58/812581858.db2.gz ZBIFPCQXHAUQNT-JTQLQIEISA-N 1 0 272.370 -0.461 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)NCCN1C(=O)CSC1=O ZINC001118505787 812562307 /nfs/dbraw/zinc/56/23/07/812562307.db2.gz GQGZHHCQHFPYPS-UHFFFAOYSA-N 1 0 295.364 -0.199 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001118673822 812597370 /nfs/dbraw/zinc/59/73/70/812597370.db2.gz BOAIWFZETJOELF-QWHCGFSZSA-N 1 0 293.367 -0.553 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158636425 815541791 /nfs/dbraw/zinc/54/17/91/815541791.db2.gz BLLUQGJHARSLBO-NSHDSACASA-N 1 0 271.361 -0.191 20 30 CBEDRO CNC(=O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC001118816801 812633344 /nfs/dbraw/zinc/63/33/44/812633344.db2.gz XEJVDVLZJBMLPC-NSHDSACASA-N 1 0 269.345 -0.264 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C)NC(=O)COC ZINC001158663893 815542878 /nfs/dbraw/zinc/54/28/78/815542878.db2.gz VOTRCANQIIYEDT-JTQLQIEISA-N 1 0 291.779 -0.014 20 30 CBEDRO C=CC[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001118870471 812648766 /nfs/dbraw/zinc/64/87/66/812648766.db2.gz QGKFBJIELKIQPE-STQMWFEESA-N 1 0 295.383 -0.094 20 30 CBEDRO N#Cc1ccc(NC(=O)C(=O)NCCOCCC[NH3+])nc1 ZINC001118917458 812660839 /nfs/dbraw/zinc/66/08/39/812660839.db2.gz KZQVLMCQTYKJSV-UHFFFAOYSA-N 1 0 291.311 -0.627 20 30 CBEDRO C=CC[C@@H](CC)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001118919655 812661535 /nfs/dbraw/zinc/66/15/35/812661535.db2.gz LYPCFSQGRIUJSD-LLVKDONJSA-N 1 0 271.361 -0.109 20 30 CBEDRO 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0 263.301 -0.015 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001159882861 815603178 /nfs/dbraw/zinc/60/31/78/815603178.db2.gz JHPFVBFGHFAFNR-CQSZACIVSA-N 1 0 291.399 -0.068 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123348311 813234016 /nfs/dbraw/zinc/23/40/16/813234016.db2.gz UVVOYSFWXSNKRS-UHFFFAOYSA-N 1 0 265.317 -0.958 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC=CCC1 ZINC001123381694 813236903 /nfs/dbraw/zinc/23/69/03/813236903.db2.gz OMJSNNPPDZKFHV-LLVKDONJSA-N 1 0 264.329 -0.312 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c(C)noc1C ZINC001123373830 813236981 /nfs/dbraw/zinc/23/69/81/813236981.db2.gz HYDNXPYDFGHSGO-JTQLQIEISA-N 1 0 292.339 -0.251 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc[nH]1 ZINC001123445698 813240587 /nfs/dbraw/zinc/24/05/87/813240587.db2.gz ZOXPWCUPUCGMET-UHFFFAOYSA-N 1 0 293.327 -0.654 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccoc1 ZINC001123508661 813245530 /nfs/dbraw/zinc/24/55/30/813245530.db2.gz KLKQBZNFGKYKAZ-SNVBAGLBSA-N 1 0 263.297 -0.263 20 30 CBEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123603571 813252949 /nfs/dbraw/zinc/25/29/49/813252949.db2.gz AWUWUHKWRJKHEB-WOPDTQHZSA-N 1 0 250.346 -0.007 20 30 CBEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123603568 813253193 /nfs/dbraw/zinc/25/31/93/813253193.db2.gz AWUWUHKWRJKHEB-GRYCIOLGSA-N 1 0 250.346 -0.007 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(C)n1 ZINC001123732855 813265766 /nfs/dbraw/zinc/26/57/66/813265766.db2.gz NMDRNLGWWJTINA-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO Cn1nncc1C[NH2+]CCNC(=O)CSCC#N ZINC001123792185 813272167 /nfs/dbraw/zinc/27/21/67/813272167.db2.gz LXFDSVBPENVTPB-UHFFFAOYSA-N 1 0 268.346 -0.722 20 30 CBEDRO C=CCNC(=O)CNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001123790143 813272965 /nfs/dbraw/zinc/27/29/65/813272965.db2.gz WVCKNXMJGWCVQY-LBPRGKRZSA-N 1 0 297.403 -0.776 20 30 CBEDRO CN1CCC[C@@H]([NH2+]CCNC(=O)CSCC#N)C1=O ZINC001123792237 813273158 /nfs/dbraw/zinc/27/31/58/813273158.db2.gz ODTDNDKPGOYNLT-SNVBAGLBSA-N 1 0 284.385 -0.430 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CSCC#N ZINC001123798940 813273954 /nfs/dbraw/zinc/27/39/54/813273954.db2.gz FWDWABADNJHAPG-JTQLQIEISA-N 1 0 282.369 -0.913 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001123799542 813274560 /nfs/dbraw/zinc/27/45/60/813274560.db2.gz WNOQEXUVLFNHNZ-UHFFFAOYSA-N 1 0 298.368 -0.902 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC001123891906 813289539 /nfs/dbraw/zinc/28/95/39/813289539.db2.gz UOHQRWZOFLATMU-UHFFFAOYSA-N 1 0 292.343 -0.509 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)n1cccn1 ZINC001123917724 813294243 /nfs/dbraw/zinc/29/42/43/813294243.db2.gz GVPCNJJVFCDYOB-GFCCVEGCSA-N 1 0 264.329 -0.200 20 30 CBEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190502366 823817154 /nfs/dbraw/zinc/81/71/54/823817154.db2.gz UHMGNZFMBIHHIX-JTQLQIEISA-N 1 0 254.334 -0.366 20 30 CBEDRO CC(C)COCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123981337 813384591 /nfs/dbraw/zinc/38/45/91/813384591.db2.gz RNSKOCUFXJYWJK-UHFFFAOYSA-N 1 0 284.360 -0.605 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCO1 ZINC001124021308 813390433 /nfs/dbraw/zinc/39/04/33/813390433.db2.gz USMZRXHBOSKZFA-NEPJUHHUSA-N 1 0 281.356 -0.601 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCS(=O)(=O)CCO1 ZINC001124026433 813393056 /nfs/dbraw/zinc/39/30/56/813393056.db2.gz UURXUVJDBUHXLL-UHFFFAOYSA-N 1 0 276.358 -0.317 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)COCC2CC2)C1=O ZINC001124026218 813393118 /nfs/dbraw/zinc/39/31/18/813393118.db2.gz OPQNSBNDQDTHJB-ZDUSSCGKSA-N 1 0 295.383 -0.094 20 30 CBEDRO N#CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001124026416 813393172 /nfs/dbraw/zinc/39/31/72/813393172.db2.gz UQFFXIWBCHYUQA-CMPLNLGQSA-N 1 0 253.302 -0.758 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)COCC2CC2)C1=O ZINC001124026217 813393242 /nfs/dbraw/zinc/39/32/42/813393242.db2.gz OPQNSBNDQDTHJB-CYBMUJFWSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncnc1C ZINC001124124653 813408870 /nfs/dbraw/zinc/40/88/70/813408870.db2.gz BTXPQEXNNHVUJR-NSHDSACASA-N 1 0 291.355 -0.205 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cncnc1C ZINC001124124651 813409016 /nfs/dbraw/zinc/40/90/16/813409016.db2.gz BTXPQEXNNHVUJR-LLVKDONJSA-N 1 0 291.355 -0.205 20 30 CBEDRO CCCSCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124197667 813418599 /nfs/dbraw/zinc/41/85/99/813418599.db2.gz LLLSBNPMIKUAQU-UHFFFAOYSA-N 1 0 272.374 -0.525 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)/C=C(/C)C1CC1 ZINC001124217318 813421547 /nfs/dbraw/zinc/42/15/47/813421547.db2.gz OXMUFPOGCHIIPI-LUAWRHEFSA-N 1 0 263.341 -0.202 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cncs1 ZINC001124251532 813423117 /nfs/dbraw/zinc/42/31/17/813423117.db2.gz IYZPFLCWUVMTSB-UHFFFAOYSA-N 1 0 267.314 -0.898 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC ZINC001124483195 813443893 /nfs/dbraw/zinc/44/38/93/813443893.db2.gz KXOYFUVXPYYFCV-JTQLQIEISA-N 1 0 257.334 -0.581 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001124489366 813446423 /nfs/dbraw/zinc/44/64/23/813446423.db2.gz YTFQHYLVNHNGFF-WDEREUQCSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCOC1 ZINC001124515140 813451733 /nfs/dbraw/zinc/45/17/33/813451733.db2.gz WQTBDCOCVLKXBG-QWRGUYRKSA-N 1 0 269.345 -0.581 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001124635913 813460409 /nfs/dbraw/zinc/46/04/09/813460409.db2.gz CVLQPFVZHHWVCS-LBPRGKRZSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=CCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001124646425 813462363 /nfs/dbraw/zinc/46/23/63/813462363.db2.gz RUDSTFKLFBUYQP-VIFPVBQESA-N 1 0 270.333 -0.498 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001124640444 813462948 /nfs/dbraw/zinc/46/29/48/813462948.db2.gz GUUCZSFJODRKDU-UHFFFAOYSA-N 1 0 291.417 -0.060 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001124646055 813463172 /nfs/dbraw/zinc/46/31/72/813463172.db2.gz FPHYHSIFZHTTSX-GFCCVEGCSA-N 1 0 283.372 -0.189 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124668461 813466004 /nfs/dbraw/zinc/46/60/04/813466004.db2.gz LGEZKRFFRXWRIH-MNOVXSKESA-N 1 0 268.313 -0.849 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1=COCCC1 ZINC001124674811 813467258 /nfs/dbraw/zinc/46/72/58/813467258.db2.gz OGNCURRCTFOWGT-LLVKDONJSA-N 1 0 279.340 -0.476 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCOC2)C1=O ZINC001124690624 813470245 /nfs/dbraw/zinc/47/02/45/813470245.db2.gz ITXSDGVJURMNPY-QWHCGFSZSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCOCC ZINC001124723599 813471920 /nfs/dbraw/zinc/47/19/20/813471920.db2.gz YYVCECTZVPMHML-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001124765432 813478474 /nfs/dbraw/zinc/47/84/74/813478474.db2.gz XWCFXLITHXAKTP-UHFFFAOYSA-N 1 0 255.318 -0.873 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001124765291 813478656 /nfs/dbraw/zinc/47/86/56/813478656.db2.gz RUKQDRNVSYYCJD-JTQLQIEISA-N 1 0 255.318 -0.827 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001124765304 813478694 /nfs/dbraw/zinc/47/86/94/813478694.db2.gz SFDLBMJRPDOJOV-UHFFFAOYSA-N 1 0 299.371 -0.810 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001124767936 813478725 /nfs/dbraw/zinc/47/87/25/813478725.db2.gz OUAIDDJIKGPWCT-GFCCVEGCSA-N 1 0 281.356 -0.318 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001124773683 813478732 /nfs/dbraw/zinc/47/87/32/813478732.db2.gz VCEZTJZOLRRSLI-ZDUSSCGKSA-N 1 0 288.388 -0.072 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001124772417 813478995 /nfs/dbraw/zinc/47/89/95/813478995.db2.gz DBJYQZXTSZQXGO-UHFFFAOYSA-N 1 0 282.300 -0.479 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cocn1 ZINC001124799345 813481717 /nfs/dbraw/zinc/48/17/17/813481717.db2.gz USMSWXBUONMNSA-VIFPVBQESA-N 1 0 264.285 -0.868 20 30 CBEDRO CC(C)(C)/C=C\C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124882644 813494174 /nfs/dbraw/zinc/49/41/74/813494174.db2.gz DLBVKQHQZAYWJL-PLNGDYQASA-N 1 0 266.345 -0.066 20 30 CBEDRO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908578 813499456 /nfs/dbraw/zinc/49/94/56/813499456.db2.gz NMKREFYRFRIRQW-RYUDHWBXSA-N 1 0 271.361 -0.115 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CCC ZINC001124947544 813505962 /nfs/dbraw/zinc/50/59/62/813505962.db2.gz HNIOULFSRNXAGV-NSHDSACASA-N 1 0 253.346 -0.122 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124890498 813496094 /nfs/dbraw/zinc/49/60/94/813496094.db2.gz YEKHZBQMHKCOGO-VIFPVBQESA-N 1 0 254.334 -0.233 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001124887902 813496339 /nfs/dbraw/zinc/49/63/39/813496339.db2.gz AGTGPYICAARFNV-LLVKDONJSA-N 1 0 289.339 -0.437 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001124887903 813496865 /nfs/dbraw/zinc/49/68/65/813496865.db2.gz AGTGPYICAARFNV-NSHDSACASA-N 1 0 289.339 -0.437 20 30 CBEDRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124888068 813496999 /nfs/dbraw/zinc/49/69/99/813496999.db2.gz DPCBXACYKQLPCY-SNVBAGLBSA-N 1 0 254.334 -0.232 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001124897693 813497582 /nfs/dbraw/zinc/49/75/82/813497582.db2.gz VAVZUKCJTUPXPE-BDAKNGLRSA-N 1 0 297.277 -0.208 20 30 CBEDRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124895742 813497606 /nfs/dbraw/zinc/49/76/06/813497606.db2.gz JBTVZMOBBYUIFL-SNVBAGLBSA-N 1 0 269.349 -0.441 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@H](C)C(=O)Nc1ncccn1 ZINC001124895326 813497626 /nfs/dbraw/zinc/49/76/26/813497626.db2.gz GDSSIWMTFMQTKJ-NXEZZACHSA-N 1 0 290.327 -0.331 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001124895637 813497838 /nfs/dbraw/zinc/49/78/38/813497838.db2.gz IIKSNKMONBNYBU-UWVGGRQHSA-N 1 0 273.358 -0.713 20 30 CBEDRO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124895588 813498424 /nfs/dbraw/zinc/49/84/24/813498424.db2.gz HXHPOMLCYJGZAP-JTQLQIEISA-N 1 0 270.333 -0.995 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001124896332 813498821 /nfs/dbraw/zinc/49/88/21/813498821.db2.gz OCVHYMHKDHYRSI-WDEREUQCSA-N 1 0 287.385 -0.323 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001124903564 813499481 /nfs/dbraw/zinc/49/94/81/813499481.db2.gz RUMUDTCOTZVJOX-VIFPVBQESA-N 1 0 297.359 -0.524 20 30 CBEDRO CCCC[C@H]([NH2+]CCNC(=O)[C@H](C)C#N)C(N)=O ZINC001124902666 813499657 /nfs/dbraw/zinc/49/96/57/813499657.db2.gz LQTKYXLWSWQRFK-ZJUUUORDSA-N 1 0 254.334 -0.104 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001124903563 813500348 /nfs/dbraw/zinc/50/03/48/813500348.db2.gz RUMUDTCOTZVJOX-SECBINFHSA-N 1 0 297.359 -0.524 20 30 CBEDRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908929 813501455 /nfs/dbraw/zinc/50/14/55/813501455.db2.gz VKJQCYKEPXLKLO-VXGBXAGGSA-N 1 0 298.387 -0.217 20 30 CBEDRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908926 813501522 /nfs/dbraw/zinc/50/15/22/813501522.db2.gz VKJQCYKEPXLKLO-NEPJUHHUSA-N 1 0 298.387 -0.217 20 30 CBEDRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)C(=O)NCC(F)(F)F ZINC001124908742 813501764 /nfs/dbraw/zinc/50/17/64/813501764.db2.gz QRTGABHBNXRNJF-JGVFFNPUSA-N 1 0 294.277 -0.081 20 30 CBEDRO CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908928 813501879 /nfs/dbraw/zinc/50/18/79/813501879.db2.gz VKJQCYKEPXLKLO-RYUDHWBXSA-N 1 0 298.387 -0.217 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)COCCOC ZINC001124925384 813503125 /nfs/dbraw/zinc/50/31/25/813503125.db2.gz GDGIZZQEMWRRPC-UHFFFAOYSA-N 1 0 260.334 -0.442 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001124999016 813508613 /nfs/dbraw/zinc/50/86/13/813508613.db2.gz AZTJSBAGQYOVTN-UHFFFAOYSA-N 1 0 280.328 -0.466 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)nc1C ZINC001124986817 813508783 /nfs/dbraw/zinc/50/87/83/813508783.db2.gz YRORKKKBRLDIPS-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001125005603 813509053 /nfs/dbraw/zinc/50/90/53/813509053.db2.gz IRLNOHOJDPKAMM-LLVKDONJSA-N 1 0 294.355 -0.078 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCC1CC1 ZINC001125019361 813510783 /nfs/dbraw/zinc/51/07/83/813510783.db2.gz GNPOJXHHVCHHTA-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nccnc1N ZINC001125034370 813512345 /nfs/dbraw/zinc/51/23/45/813512345.db2.gz QJVQNVUCVZPAPG-VIFPVBQESA-N 1 0 292.343 -0.931 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)CC(N)=O)cc1 ZINC001125079733 813515182 /nfs/dbraw/zinc/51/51/82/813515182.db2.gz HRRKJWLHYQNGKA-UHFFFAOYSA-N 1 0 260.297 -0.361 20 30 CBEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125094809 813519249 /nfs/dbraw/zinc/51/92/49/813519249.db2.gz FDFLMRRTHXMMDE-LLVKDONJSA-N 1 0 298.387 -0.619 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125164043 813526851 /nfs/dbraw/zinc/52/68/51/813526851.db2.gz ADYOAHROVMWCLW-JTQLQIEISA-N 1 0 279.344 -0.651 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001125247568 813538439 /nfs/dbraw/zinc/53/84/39/813538439.db2.gz CYYDFJSAVVVEEJ-UHFFFAOYSA-N 1 0 283.372 -0.093 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001125247582 813539046 /nfs/dbraw/zinc/53/90/46/813539046.db2.gz DMGRHTNWAZJUKY-UHFFFAOYSA-N 1 0 271.361 -0.237 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCOCC=C ZINC001125248028 813539884 /nfs/dbraw/zinc/53/98/84/813539884.db2.gz MUIRRSZGWNNXGA-UHFFFAOYSA-N 1 0 283.372 -0.023 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]C[C@H](O)COC ZINC001125252883 813540986 /nfs/dbraw/zinc/54/09/86/813540986.db2.gz QVMFFSCMZOYEEO-LBPRGKRZSA-N 1 0 274.361 -0.318 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CCn1cncn1 ZINC001125255344 813541071 /nfs/dbraw/zinc/54/10/71/813541071.db2.gz BCZYLYKAELLIPO-UHFFFAOYSA-N 1 0 281.360 -0.033 20 30 CBEDRO CN(C)C(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125360784 813545893 /nfs/dbraw/zinc/54/58/93/813545893.db2.gz KZUMGTXWVLLCKH-UHFFFAOYSA-N 1 0 263.301 -0.706 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001125360456 813546375 /nfs/dbraw/zinc/54/63/75/813546375.db2.gz FAIBRRKPDLESPN-WUHRBBMRSA-N 1 0 277.368 -0.124 20 30 CBEDRO CS(=O)(=O)CC[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125390853 813547253 /nfs/dbraw/zinc/54/72/53/813547253.db2.gz GJDQQDQHQMAAFO-UHFFFAOYSA-N 1 0 284.341 -0.750 20 30 CBEDRO CN1CCC[C@@H]([NH2+]CCNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001125390800 813548370 /nfs/dbraw/zinc/54/83/70/813548370.db2.gz CQDHKWBYOQOVKI-LLVKDONJSA-N 1 0 289.339 -0.173 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+]CCn2cncn2)c1 ZINC001125370263 813548658 /nfs/dbraw/zinc/54/86/58/813548658.db2.gz KXHDMKKKVRBLDA-UHFFFAOYSA-N 1 0 273.300 -0.503 20 30 CBEDRO Cc1cccnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125424213 813550845 /nfs/dbraw/zinc/55/08/45/813550845.db2.gz BRCKBWIVRSRBHK-UHFFFAOYSA-N 1 0 275.312 -0.651 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC(F)(F)C1 ZINC001125488968 813555752 /nfs/dbraw/zinc/55/57/52/813555752.db2.gz GIEOCYHWVDUMJD-UHFFFAOYSA-N 1 0 273.283 -0.513 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCOC1 ZINC001125484575 813556055 /nfs/dbraw/zinc/55/60/55/813556055.db2.gz XCNGFHDYTWEPHS-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC(C)C1 ZINC001125509471 813556273 /nfs/dbraw/zinc/55/62/73/813556273.db2.gz VKBPYBCTEKFXLO-UHFFFAOYSA-N 1 0 251.330 -0.512 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCCO1 ZINC001125542786 813558292 /nfs/dbraw/zinc/55/82/92/813558292.db2.gz WQPHNZKLMINABD-CHWSQXEVSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc[nH]c(=O)c1 ZINC001125619651 813564654 /nfs/dbraw/zinc/56/46/54/813564654.db2.gz FDSWBQMBKNOLHV-JTQLQIEISA-N 1 0 290.323 -0.756 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1=CCCC1 ZINC001125645804 813568634 /nfs/dbraw/zinc/56/86/34/813568634.db2.gz LQVWHUOKJCHYKO-NSHDSACASA-N 1 0 263.341 -0.060 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125688783 813571783 /nfs/dbraw/zinc/57/17/83/813571783.db2.gz ZXAVBDVGMJZKDZ-NSHDSACASA-N 1 0 270.329 -0.152 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125695178 813573438 /nfs/dbraw/zinc/57/34/38/813573438.db2.gz JMXXNXQMBBFYTL-MNOVXSKESA-N 1 0 297.355 -0.664 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cccnc1 ZINC001125712803 813573826 /nfs/dbraw/zinc/57/38/26/813573826.db2.gz YRGNEOKCGWCZRC-LBPRGKRZSA-N 1 0 288.351 -0.532 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)n1cccc1 ZINC001125757066 813579034 /nfs/dbraw/zinc/57/90/34/813579034.db2.gz NYKQXWKGZGOKHM-OLZOCXBDSA-N 1 0 290.367 -0.107 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)ncn1 ZINC001125762310 813580246 /nfs/dbraw/zinc/58/02/46/813580246.db2.gz RGFCZXCOERCCGE-UHFFFAOYSA-N 1 0 262.313 -0.246 20 30 CBEDRO COCCOCC[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776186 813581465 /nfs/dbraw/zinc/58/14/65/813581465.db2.gz IJANIDBQEWHQIV-UHFFFAOYSA-N 1 0 280.328 -0.131 20 30 CBEDRO CC(C)NC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125775740 813581999 /nfs/dbraw/zinc/58/19/99/813581999.db2.gz AMCBGWIUOGYQDE-UHFFFAOYSA-N 1 0 277.328 -0.270 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125782432 813582108 /nfs/dbraw/zinc/58/21/08/813582108.db2.gz FTJHXALFGPIRLN-QMMMGPOBSA-N 1 0 263.301 -0.660 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCC2)[nH]1 ZINC001125776543 813582189 /nfs/dbraw/zinc/58/21/89/813582189.db2.gz RFVHZDKRYZRJOL-UHFFFAOYSA-N 1 0 275.312 -0.562 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125885567 813586976 /nfs/dbraw/zinc/58/69/76/813586976.db2.gz VRNFECQOTGAYHK-IAQYHMDHSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125883818 813587762 /nfs/dbraw/zinc/58/77/62/813587762.db2.gz FYGIVBHHVANSIF-IAQYHMDHSA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@](C)(O)C1CC1 ZINC001125885570 813588081 /nfs/dbraw/zinc/58/80/81/813588081.db2.gz VRNFECQOTGAYHK-NHYWBVRUSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125903926 813590392 /nfs/dbraw/zinc/59/03/92/813590392.db2.gz ZCYPDXZUQUNFRV-UHFFFAOYSA-N 1 0 255.362 -0.009 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125929407 813592546 /nfs/dbraw/zinc/59/25/46/813592546.db2.gz AWDWIBZDHOWXDK-NSHDSACASA-N 1 0 265.317 -0.805 20 30 CBEDRO C#CCCCCC(=O)NCC[NH2+]CCOCCO ZINC001125939150 813594331 /nfs/dbraw/zinc/59/43/31/813594331.db2.gz VHQTWBJYYGIBPH-UHFFFAOYSA-N 1 0 256.346 -0.105 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1COCCN1C ZINC001125944497 813594465 /nfs/dbraw/zinc/59/44/65/813594465.db2.gz CUWLVODQUHFLGP-LBPRGKRZSA-N 1 0 255.362 -0.011 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCC(F)(F)F ZINC001125982380 813598862 /nfs/dbraw/zinc/59/88/62/813598862.db2.gz ZPRVVXLKMGENTK-UHFFFAOYSA-N 1 0 279.262 -0.216 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+]CCN2CCCC2=O)c[nH]1 ZINC001125977574 813599024 /nfs/dbraw/zinc/59/90/24/813599024.db2.gz AMUSRIKIUZPNOX-UHFFFAOYSA-N 1 0 289.339 -0.172 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)NC2CC2)c[nH]1 ZINC001125988174 813599344 /nfs/dbraw/zinc/59/93/44/813599344.db2.gz OHWQNNKCHNYHII-UHFFFAOYSA-N 1 0 275.312 -0.516 20 30 CBEDRO CCCNC(=O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988369 813599378 /nfs/dbraw/zinc/59/93/78/813599378.db2.gz UGRVDLOIPPHOKQ-UHFFFAOYSA-N 1 0 277.328 -0.268 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC1CCC1 ZINC001125998645 813599895 /nfs/dbraw/zinc/59/98/95/813599895.db2.gz SENRKZGCBCNFCJ-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C/C=C\Cl ZINC001125999102 813600012 /nfs/dbraw/zinc/60/00/12/813600012.db2.gz XMUQTLBAFGEBIQ-ARJAWSKDSA-N 1 0 257.721 -0.416 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCC1CCOCC1 ZINC001125995330 813600233 /nfs/dbraw/zinc/60/02/33/813600233.db2.gz ZQLOEURXAFGIBU-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001125998085 813600402 /nfs/dbraw/zinc/60/04/02/813600402.db2.gz JNRNJRIQRHLGPJ-LBPRGKRZSA-N 1 0 281.356 -0.742 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C/C=C/Cl ZINC001125999104 813600712 /nfs/dbraw/zinc/60/07/12/813600712.db2.gz XMUQTLBAFGEBIQ-ONEGZZNKSA-N 1 0 257.721 -0.416 20 30 CBEDRO O=C(CN1CN=NC1=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001126021181 813604230 /nfs/dbraw/zinc/60/42/30/813604230.db2.gz IHLHRANWXSKZSZ-UHFFFAOYSA-N 1 0 299.334 -0.259 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126093978 813613258 /nfs/dbraw/zinc/61/32/58/813613258.db2.gz YRRRPIGYVRYKLC-SECBINFHSA-N 1 0 294.359 -0.988 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126110768 813615407 /nfs/dbraw/zinc/61/54/07/813615407.db2.gz QFMKLUNRSFXUBC-UHFFFAOYSA-N 1 0 267.329 -0.659 20 30 CBEDRO CCn1nccc1C(=O)NCC[NH2+]CC#CCOC ZINC001126185221 813624228 /nfs/dbraw/zinc/62/42/28/813624228.db2.gz ZCPZHBYBRSMDSM-UHFFFAOYSA-N 1 0 264.329 -0.128 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1coc(C)c1 ZINC001126215271 813627222 /nfs/dbraw/zinc/62/72/22/813627222.db2.gz ZJKBTOGMJGGTIG-UHFFFAOYSA-N 1 0 263.297 -0.343 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001126343558 813636567 /nfs/dbraw/zinc/63/65/67/813636567.db2.gz AXDUOFHTERHXAQ-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001126338679 813637732 /nfs/dbraw/zinc/63/77/32/813637732.db2.gz FXZULDZTZANZIG-UHFFFAOYSA-N 1 0 266.345 -0.479 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001126365880 813640095 /nfs/dbraw/zinc/64/00/95/813640095.db2.gz OGKJYHQPSUDQQG-LBPRGKRZSA-N 1 0 267.333 -0.652 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CCOCCO ZINC001126366704 813640900 /nfs/dbraw/zinc/64/09/00/813640900.db2.gz YJBFKWMVHHGJNZ-GFCCVEGCSA-N 1 0 260.334 -0.972 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001126383129 813641959 /nfs/dbraw/zinc/64/19/59/813641959.db2.gz FIWFPIWMLXNKNT-NHYWBVRUSA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@](C)(O)C=C ZINC001126385445 813643002 /nfs/dbraw/zinc/64/30/02/813643002.db2.gz WHTNNIWRZZVMSD-BXUZGUMPSA-N 1 0 281.356 -0.843 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001126385007 813643090 /nfs/dbraw/zinc/64/30/90/813643090.db2.gz SDZZRGGSZSHENM-HZMBPMFUSA-N 1 0 283.372 -0.314 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cc1ccnn1C ZINC001126397778 813644103 /nfs/dbraw/zinc/64/41/03/813644103.db2.gz IRBLREZJAMFIGS-UHFFFAOYSA-N 1 0 266.345 -0.129 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCOCC1 ZINC001126442299 813647865 /nfs/dbraw/zinc/64/78/65/813647865.db2.gz LNSLGZHRILOIIL-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nccc(C)n1 ZINC001126487279 813652803 /nfs/dbraw/zinc/65/28/03/813652803.db2.gz WWOPHRNMMVTKMJ-LLVKDONJSA-N 1 0 291.355 -0.205 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](OC)C2CC2)C1=O ZINC001126494008 813653196 /nfs/dbraw/zinc/65/31/96/813653196.db2.gz JYCZSAIDCXOTEU-QWHCGFSZSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](OC)C1CC1 ZINC001126501389 813654672 /nfs/dbraw/zinc/65/46/72/813654672.db2.gz 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C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787654 814413425 /nfs/dbraw/zinc/41/34/25/814413425.db2.gz NQGJKDMLVWPDOO-QWRGUYRKSA-N 1 0 281.360 -0.359 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001134842605 814415874 /nfs/dbraw/zinc/41/58/74/814415874.db2.gz CNWOWRNTPMZGNT-NXEZZACHSA-N 1 0 294.359 -0.407 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001134842606 814416570 /nfs/dbraw/zinc/41/65/70/814416570.db2.gz CNWOWRNTPMZGNT-UWVGGRQHSA-N 1 0 294.359 -0.407 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)nn1 ZINC001134973063 814427844 /nfs/dbraw/zinc/42/78/44/814427844.db2.gz BOZAQWDWWXSXFF-VIFPVBQESA-N 1 0 280.332 -0.953 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134969502 814428077 /nfs/dbraw/zinc/42/80/77/814428077.db2.gz IAQKFGUPFMLEMT-UHFFFAOYSA-N 1 0 279.344 -0.014 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H]2CCCNC2=O)nn1 ZINC001134969360 814428084 /nfs/dbraw/zinc/42/80/84/814428084.db2.gz GWBAZQNLCQLQSI-JTQLQIEISA-N 1 0 292.343 -0.938 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H](C)OC)nn1 ZINC001134970402 814428132 /nfs/dbraw/zinc/42/81/32/814428132.db2.gz VVJXWXYGRSCYQJ-JTQLQIEISA-N 1 0 267.333 -0.182 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134960713 814428197 /nfs/dbraw/zinc/42/81/97/814428197.db2.gz DBNKXZODJQFAFT-UHFFFAOYSA-N 1 0 263.363 -0.794 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cn1nnnc1C(C)C ZINC001135001883 814430045 /nfs/dbraw/zinc/43/00/45/814430045.db2.gz PHTZHOJGLOVUDC-UHFFFAOYSA-N 1 0 294.359 -0.848 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135043774 814430822 /nfs/dbraw/zinc/43/08/22/814430822.db2.gz LKEVHMQKGLZANC-QWRGUYRKSA-N 1 0 276.340 -0.100 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135055788 814433309 /nfs/dbraw/zinc/43/33/09/814433309.db2.gz YSNKHKPREHMBOF-UHFFFAOYSA-N 1 0 250.302 -0.313 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001135071394 814434854 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135145798 814440942 /nfs/dbraw/zinc/44/09/42/814440942.db2.gz UKIHBNAVGFWZNV-XQQFMLRXSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC ZINC001135142077 814441441 /nfs/dbraw/zinc/44/14/41/814441441.db2.gz FUPBGPYWWCBXMP-AVGNSLFASA-N 1 0 286.372 -0.319 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135173108 814442680 /nfs/dbraw/zinc/44/26/80/814442680.db2.gz XVJUMKBKONJGBK-UHFFFAOYSA-N 1 0 253.346 -0.122 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209556 814444516 /nfs/dbraw/zinc/44/45/16/814444516.db2.gz RLXCBUXSJZUBEO-UHFFFAOYSA-N 1 0 292.401 -0.280 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214844 814446816 /nfs/dbraw/zinc/44/68/16/814446816.db2.gz RDOBBAIYNMBKJN-VHSXEESVSA-N 1 0 264.333 -0.280 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135220573 814448152 /nfs/dbraw/zinc/44/81/52/814448152.db2.gz 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CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C)[NH2+]CC(=O)NCC#N ZINC001318553857 817122021 /nfs/dbraw/zinc/12/20/21/817122021.db2.gz DJNUIAVCTCQNIQ-OUAUKWLOSA-N 1 0 266.345 -0.233 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001318689779 817134207 /nfs/dbraw/zinc/13/42/07/817134207.db2.gz ZGPMBTITNSTAEK-YGRLFVJLSA-N 1 0 291.355 -0.340 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001318952754 817152507 /nfs/dbraw/zinc/15/25/07/817152507.db2.gz JADJPBIWFVJESP-JHJVBQTASA-N 1 0 295.383 -0.212 20 30 CBEDRO C[C@@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)[NH+](C)C ZINC001318978344 817154992 /nfs/dbraw/zinc/15/49/92/817154992.db2.gz GUQJHVXUBVQSCC-NJERVBSYSA-N 1 0 294.355 -0.031 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(OCC(N)=O)CC1 ZINC001319044862 817160034 /nfs/dbraw/zinc/16/00/34/817160034.db2.gz VFDRNMQYEZCHJM-SNVBAGLBSA-N 1 0 267.329 -0.909 20 30 CBEDRO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001319057968 817161839 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C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001319165379 817171938 /nfs/dbraw/zinc/17/19/38/817171938.db2.gz QSBPUOVKPMUCTB-VXGBXAGGSA-N 1 0 299.371 -0.954 20 30 CBEDRO C=CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001319170465 817172290 /nfs/dbraw/zinc/17/22/90/817172290.db2.gz VPAWKAMQHRBVLV-UHFFFAOYSA-N 1 0 265.317 -0.315 20 30 CBEDRO CCn1ncc(C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)n1 ZINC001319179282 817173327 /nfs/dbraw/zinc/17/33/27/817173327.db2.gz AEUQEVARMPJHPI-LBPRGKRZSA-N 1 0 293.371 -0.097 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)CO[C@@H]1CCOC1 ZINC001319185143 817175131 /nfs/dbraw/zinc/17/51/31/817175131.db2.gz FVQIEYUNGMQISW-ZIAGYGMSSA-N 1 0 298.383 -0.216 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](CCC)S(N)(=O)=O ZINC001319223273 817178616 /nfs/dbraw/zinc/17/86/16/817178616.db2.gz WNTZLZICFGUMMT-QWRGUYRKSA-N 1 0 289.401 -0.581 20 30 CBEDRO C[C@H](CNC(=O)[C@@H]1CC12CC2)C[NH2+]CC(=O)NCC#N ZINC001319241551 817179670 /nfs/dbraw/zinc/17/96/70/817179670.db2.gz DTZDWEXDLDAYJJ-QWRGUYRKSA-N 1 0 278.356 -0.232 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC001319245395 817180871 /nfs/dbraw/zinc/18/08/71/817180871.db2.gz VSBFPDUEBGPSRR-UHFFFAOYSA-N 1 0 290.323 -0.265 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CO[C@H]2CCOC2)CC1 ZINC001319370142 817197109 /nfs/dbraw/zinc/19/71/09/817197109.db2.gz UIQDVUNJLDSBLL-NSHDSACASA-N 1 0 267.329 -0.104 20 30 CBEDRO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CSCC#N ZINC001319423078 817201649 /nfs/dbraw/zinc/20/16/49/817201649.db2.gz IYSPQPLRWZNPKR-GHMZBOCLSA-N 1 0 298.412 -0.042 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1=COCCC1 ZINC001319428907 817202262 /nfs/dbraw/zinc/20/22/62/817202262.db2.gz CYFFINLWVLTZTR-LBPRGKRZSA-N 1 0 293.367 -0.133 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)OC ZINC001319429529 817202338 /nfs/dbraw/zinc/20/23/38/817202338.db2.gz INKXMSUKZYIICU-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001319436925 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C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001319476309 817209555 /nfs/dbraw/zinc/20/95/55/817209555.db2.gz ONSZXXXFZAIRIP-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1cnc[nH]1 ZINC001319539352 817216927 /nfs/dbraw/zinc/21/69/27/817216927.db2.gz ZCPQQMVBRPTHIG-SNVBAGLBSA-N 1 0 292.343 -0.972 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCN1C(=O)CNC1=O ZINC001319576111 817220846 /nfs/dbraw/zinc/22/08/46/817220846.db2.gz BTAFYVLKUDYHDK-LLVKDONJSA-N 1 0 294.355 -0.612 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001319572080 817221231 /nfs/dbraw/zinc/22/12/31/817221231.db2.gz AKZYRVFISIYFFP-WDEREUQCSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)C[C@@H]1C ZINC001319675921 817231668 /nfs/dbraw/zinc/23/16/68/817231668.db2.gz QZWXAQBQAQFMEA-QWRGUYRKSA-N 1 0 267.329 -0.198 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001319675919 817232336 /nfs/dbraw/zinc/23/23/36/817232336.db2.gz QZWXAQBQAQFMEA-GHMZBOCLSA-N 1 0 267.329 -0.198 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001319683055 817232938 /nfs/dbraw/zinc/23/29/38/817232938.db2.gz NQJGIMZFXXNUKV-NWDGAFQWSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001319774780 817241322 /nfs/dbraw/zinc/24/13/22/817241322.db2.gz OJYFQRKPXMSBKI-NEPJUHHUSA-N 1 0 278.356 -0.338 20 30 CBEDRO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001319801537 817244653 /nfs/dbraw/zinc/24/46/53/817244653.db2.gz LCDMONQMQBAWAW-WDEREUQCSA-N 1 0 298.412 -0.055 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)CS(C)(=O)=O)C(C)C ZINC001319899366 817253358 /nfs/dbraw/zinc/25/33/58/817253358.db2.gz OSOVKQNBWBWRES-SNVBAGLBSA-N 1 0 262.375 -0.053 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)CCNS(C)(=O)=O)C(C)C ZINC001319914838 817254847 /nfs/dbraw/zinc/25/48/47/817254847.db2.gz HIFKSVNXNBNDKP-LLVKDONJSA-N 1 0 289.401 -0.711 20 30 CBEDRO C=CC[NH2+][C@@H](CNC(=O)CN1CCN(C)C(=O)C1)C(C)C ZINC001319922428 817256282 /nfs/dbraw/zinc/25/62/82/817256282.db2.gz NGTJMZWIZZYQBE-ZDUSSCGKSA-N 1 0 296.415 -0.323 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C ZINC001319946747 817258317 /nfs/dbraw/zinc/25/83/17/817258317.db2.gz HVBOQEDJFNKVHU-GHMZBOCLSA-N 1 0 291.417 -0.160 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001320007406 817267105 /nfs/dbraw/zinc/26/71/05/817267105.db2.gz ONQHLZJXCQFVFG-LLVKDONJSA-N 1 0 279.340 -0.453 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001320033478 817270185 /nfs/dbraw/zinc/27/01/85/817270185.db2.gz MKVOHQFNXVDZIG-SNVBAGLBSA-N 1 0 252.318 -0.967 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)NC ZINC001320084140 817276170 /nfs/dbraw/zinc/27/61/70/817276170.db2.gz DZWSNWWMNILQLS-UHFFFAOYSA-N 1 0 277.390 -0.498 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001320078907 817276806 /nfs/dbraw/zinc/27/68/06/817276806.db2.gz NKLVRWSWEXFAQC-UHFFFAOYSA-N 1 0 289.401 -0.709 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@H]21 ZINC001320099009 817277826 /nfs/dbraw/zinc/27/78/26/817277826.db2.gz ZLCWJZSNGKXHMX-CHWSQXEVSA-N 1 0 263.341 -0.322 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC(N)=O ZINC001320132039 817280144 /nfs/dbraw/zinc/28/01/44/817280144.db2.gz VVUQBYNDOBTBNK-NWDGAFQWSA-N 1 0 281.356 -0.614 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001320199196 817289485 /nfs/dbraw/zinc/28/94/85/817289485.db2.gz AKKWCXPKKYDBRQ-GFCCVEGCSA-N 1 0 283.372 -0.358 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnsn1 ZINC001320201164 817289924 /nfs/dbraw/zinc/28/99/24/817289924.db2.gz PDTYBVUMYWGANO-MRVPVSSYSA-N 1 0 254.315 -0.758 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C ZINC001320200866 817290686 /nfs/dbraw/zinc/29/06/86/817290686.db2.gz IMYSBMGQZPIXDM-VHSXEESVSA-N 1 0 265.317 -0.854 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001320213921 817292941 /nfs/dbraw/zinc/29/29/41/817292941.db2.gz KPJWDLBGRRPJLR-NSHDSACASA-N 1 0 281.360 -0.056 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001320215700 817294223 /nfs/dbraw/zinc/29/42/23/817294223.db2.gz JMEIWNPQVOPHOT-GFCCVEGCSA-N 1 0 260.297 -0.410 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001320214697 817294734 /nfs/dbraw/zinc/29/47/34/817294734.db2.gz OPQUMHQTWWDDOJ-CYBMUJFWSA-N 1 0 292.339 -0.885 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001320215226 817294873 /nfs/dbraw/zinc/29/48/73/817294873.db2.gz QVHYKBCLSAUSAJ-MNOVXSKESA-N 1 0 281.360 -0.150 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001320215225 817294881 /nfs/dbraw/zinc/29/48/81/817294881.db2.gz QVHYKBCLSAUSAJ-GHMZBOCLSA-N 1 0 281.360 -0.150 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001320214396 817294974 /nfs/dbraw/zinc/29/49/74/817294974.db2.gz CGAQBWKUCROKTB-MNOVXSKESA-N 1 0 270.329 -0.418 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001320226655 817298099 /nfs/dbraw/zinc/29/80/99/817298099.db2.gz DNKMYNUIARFWMS-JTQLQIEISA-N 1 0 275.312 -0.176 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccnn1C ZINC001320227366 817298343 /nfs/dbraw/zinc/29/83/43/817298343.db2.gz PKDPQYHWIUKAAH-LBPRGKRZSA-N 1 0 264.329 -0.947 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001320233566 817299440 /nfs/dbraw/zinc/29/94/40/817299440.db2.gz RUOWEQTYKNKZJD-LOWVWBTDSA-N 1 0 252.314 -0.887 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001320236149 817301229 /nfs/dbraw/zinc/30/12/29/817301229.db2.gz VDXGXWGBRFYDNN-AWEZNQCLSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001320235700 817301298 /nfs/dbraw/zinc/30/12/98/817301298.db2.gz QDPMRRRJBIQLAR-QMMMGPOBSA-N 1 0 277.752 -0.683 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001320241793 817303036 /nfs/dbraw/zinc/30/30/36/817303036.db2.gz IHFCPDQKPFUNAF-NSHDSACASA-N 1 0 292.339 -0.877 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001320244293 817303180 /nfs/dbraw/zinc/30/31/80/817303180.db2.gz FNHYBVGFASZOFD-LLVKDONJSA-N 1 0 279.340 -0.358 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001320244229 817303275 /nfs/dbraw/zinc/30/32/75/817303275.db2.gz ZDOKADFHJBTUQW-NSHDSACASA-N 1 0 290.367 -0.008 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001320250689 817304419 /nfs/dbraw/zinc/30/44/19/817304419.db2.gz SUHBSJCDPQVPFY-JTQLQIEISA-N 1 0 298.318 -0.864 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1nc(C)no1 ZINC001320259753 817306373 /nfs/dbraw/zinc/30/63/73/817306373.db2.gz ONWQXOMRGRNBBN-JTQLQIEISA-N 1 0 268.317 -0.437 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001320260962 817307376 /nfs/dbraw/zinc/30/73/76/817307376.db2.gz VRDWGNZBTJJWON-BDAKNGLRSA-N 1 0 257.334 -0.861 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001320271136 817309253 /nfs/dbraw/zinc/30/92/53/817309253.db2.gz BKMDDCPNVXTECG-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001320271708 817309389 /nfs/dbraw/zinc/30/93/89/817309389.db2.gz DTLOJSFNXPVWDO-AGIUHOORSA-N 1 0 297.399 -0.079 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001320269943 817309669 /nfs/dbraw/zinc/30/96/69/817309669.db2.gz DVKJPCZUUPJKMD-GWCFXTLKSA-N 1 0 271.361 -0.599 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001320275118 817311395 /nfs/dbraw/zinc/31/13/95/817311395.db2.gz TUGRUAVFHYMCKV-SNVBAGLBSA-N 1 0 252.318 -0.107 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+][C@H](C)COC)c1 ZINC001320274761 817311406 /nfs/dbraw/zinc/31/14/06/817311406.db2.gz ROUOSTJNHFPGGH-BXUZGUMPSA-N 1 0 291.351 -0.222 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001320286330 817313976 /nfs/dbraw/zinc/31/39/76/817313976.db2.gz JQUFWPAOMQITHH-GFCCVEGCSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001320286921 817314179 /nfs/dbraw/zinc/31/41/79/817314179.db2.gz SCXNNYXWIUCHMP-ZETCQYMHSA-N 1 0 290.245 -0.258 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001320284110 817314529 /nfs/dbraw/zinc/31/45/29/817314529.db2.gz RZNWUSOUKLJTCC-JTQLQIEISA-N 1 0 250.302 -0.578 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(COC)on1 ZINC001320284708 817314807 /nfs/dbraw/zinc/31/48/07/817314807.db2.gz WOEOBPNXCLFEQA-SNVBAGLBSA-N 1 0 281.312 -0.475 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1snnc1C(C)C ZINC001320293579 817316794 /nfs/dbraw/zinc/31/67/94/817316794.db2.gz WJUATPYLYZDZFM-SECBINFHSA-N 1 0 282.369 -0.025 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001320295717 817317148 /nfs/dbraw/zinc/31/71/48/817317148.db2.gz MPGMAFNJCGAAAQ-NEPJUHHUSA-N 1 0 296.371 -0.990 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001320293570 817317154 /nfs/dbraw/zinc/31/71/54/817317154.db2.gz WITXSYJHGMTQSZ-DGCLKSJQSA-N 1 0 254.330 -0.497 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001320295705 817317612 /nfs/dbraw/zinc/31/76/12/817317612.db2.gz MNGKWJYEQFJPKU-CHWSQXEVSA-N 1 0 295.383 -0.665 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCCn1cncn1 ZINC001320297115 817318315 /nfs/dbraw/zinc/31/83/15/817318315.db2.gz YGEGUKUQPOHLQP-LBPRGKRZSA-N 1 0 279.344 -0.852 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)nn(C)c1F ZINC001320301860 817318938 /nfs/dbraw/zinc/31/89/38/817318938.db2.gz XCHWWENABPGCAX-VIFPVBQESA-N 1 0 268.292 -0.819 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001320304066 817319259 /nfs/dbraw/zinc/31/92/59/817319259.db2.gz OYKUFBSNMFQSBI-MNOVXSKESA-N 1 0 269.345 -0.750 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C ZINC001320302508 817320181 /nfs/dbraw/zinc/32/01/81/817320181.db2.gz ZBOUUOOAOKJQJQ-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CCn3ncnc3C2)CC1 ZINC001320358765 817326018 /nfs/dbraw/zinc/32/60/18/817326018.db2.gz RWFFBWCCKATTAV-UHFFFAOYSA-N 1 0 273.340 -0.035 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001320357129 817326182 /nfs/dbraw/zinc/32/61/82/817326182.db2.gz OVNACUNDMWWVQS-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001320422129 817337636 /nfs/dbraw/zinc/33/76/36/817337636.db2.gz IEIPPJRVJOJMBI-GFCCVEGCSA-N 1 0 280.372 -0.091 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccsn1 ZINC001320459366 817340226 /nfs/dbraw/zinc/34/02/26/817340226.db2.gz PLHGBMWYRJZQBG-JTQLQIEISA-N 1 0 294.380 -0.010 20 30 CBEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001320467425 817342073 /nfs/dbraw/zinc/34/20/73/817342073.db2.gz AFIVIBHZTCQGJX-CYBMUJFWSA-N 1 0 296.415 -0.179 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001320474393 817342813 /nfs/dbraw/zinc/34/28/13/817342813.db2.gz PUYKVOZTCBACMU-NSHDSACASA-N 1 0 279.344 -0.911 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001320518401 817348172 /nfs/dbraw/zinc/34/81/72/817348172.db2.gz RRJKTJCRAKKALZ-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001320533689 817350563 /nfs/dbraw/zinc/35/05/63/817350563.db2.gz FIKBSFKWNWYUHT-SNVBAGLBSA-N 1 0 251.330 -0.240 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(C)CCOC1 ZINC001320587555 817359040 /nfs/dbraw/zinc/35/90/40/817359040.db2.gz MZZHPIVMPOWLFE-DOMZBBRYSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(C)CCOC1 ZINC001320587798 817359206 /nfs/dbraw/zinc/35/92/06/817359206.db2.gz ORWKQGUWJOPDLQ-BXUZGUMPSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(C)CCOC1 ZINC001320587556 817359922 /nfs/dbraw/zinc/35/99/22/817359922.db2.gz MZZHPIVMPOWLFE-IUODEOHRSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001320630126 817364314 /nfs/dbraw/zinc/36/43/14/817364314.db2.gz DKPNSMWDCRYXOE-JTQLQIEISA-N 1 0 265.313 -0.747 20 30 CBEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001320631250 817365171 /nfs/dbraw/zinc/36/51/71/817365171.db2.gz ORJFGQYWNFMJSP-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H](C)C#N ZINC001320694276 817376307 /nfs/dbraw/zinc/37/63/07/817376307.db2.gz HLGLKLLWTZIHCC-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H](C)C#N ZINC001320694141 817376818 /nfs/dbraw/zinc/37/68/18/817376818.db2.gz BZQMACFDPVRIIU-LLVKDONJSA-N 1 0 264.333 -0.124 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001320765701 817389520 /nfs/dbraw/zinc/38/95/20/817389520.db2.gz ANSGZSDKOWPXFN-ZIAGYGMSSA-N 1 0 280.368 -0.467 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001320778977 817391753 /nfs/dbraw/zinc/39/17/53/817391753.db2.gz FBXVUGHOIBHKIZ-STQMWFEESA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)CCN1C(=O)CCC1=O ZINC001320789064 817392984 /nfs/dbraw/zinc/39/29/84/817392984.db2.gz 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ZINC001321058059 817436935 /nfs/dbraw/zinc/43/69/35/817436935.db2.gz WCOZONBEXQMLEL-GZTOBOFZSA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001321067318 817437888 /nfs/dbraw/zinc/43/78/88/817437888.db2.gz UXPJZNHPWFYKKE-SREVYHEPSA-N 1 0 276.344 -0.063 20 30 CBEDRO C[NH+](C)CCn1ccc(C(=O)NC/C=C\CNCC#N)n1 ZINC001321063976 817438175 /nfs/dbraw/zinc/43/81/75/817438175.db2.gz KBRMNNLFJFACLU-ARJAWSKDSA-N 1 0 290.371 -0.156 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001321146951 817449193 /nfs/dbraw/zinc/44/91/93/817449193.db2.gz ZCIZCNBSWSAVEQ-VSQXVHSFSA-N 1 0 284.381 -0.294 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001321153289 817450406 /nfs/dbraw/zinc/45/04/06/817450406.db2.gz XEGZLYWCXGXNNI-MVZIDQBPSA-N 1 0 263.341 -0.060 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001321177250 817454500 /nfs/dbraw/zinc/45/45/00/817454500.db2.gz YJJGGQBVBHZLTF-SNAWJCMRSA-N 1 0 299.334 -0.160 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CCOC1 ZINC001321210321 817461387 /nfs/dbraw/zinc/46/13/87/817461387.db2.gz SIYOKOHBZCZWDA-FYDYADQUSA-N 1 0 298.318 -0.983 20 30 CBEDRO C[C@@H]1OCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001321306651 817478672 /nfs/dbraw/zinc/47/86/72/817478672.db2.gz ITALCWQCWTYHJG-KRURLVKSSA-N 1 0 294.355 -0.687 20 30 CBEDRO CC[NH+](CC)CCNC(=O)C(=O)NCCCC#N ZINC001321318156 817480128 /nfs/dbraw/zinc/48/01/28/817480128.db2.gz MNCVRJCKIVUSKB-UHFFFAOYSA-N 1 0 254.334 -0.136 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001321356806 817488197 /nfs/dbraw/zinc/48/81/97/817488197.db2.gz VIZBLFCFZJSLDY-OLZOCXBDSA-N 1 0 293.367 -0.553 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)CS(=O)(=O)N(C)C ZINC001321363287 817489691 /nfs/dbraw/zinc/48/96/91/817489691.db2.gz MYOTZEKFSBCTEI-SREVYHEPSA-N 1 0 287.385 -0.837 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC(=O)N1C ZINC001321363332 817490209 /nfs/dbraw/zinc/49/02/09/817490209.db2.gz NSJBUTRSCIINMA-QMAVJUDZSA-N 1 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C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)COC(C)(C)C ZINC001283598300 828528111 /nfs/dbraw/zinc/52/81/11/828528111.db2.gz LHQGGZWJIZFQIE-GFCCVEGCSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001283530632 828524524 /nfs/dbraw/zinc/52/45/24/828524524.db2.gz PKZCQOPTTVQRDY-RYUDHWBXSA-N 1 0 278.356 -0.482 20 30 CBEDRO C[C@H](CN(C)C(=O)c1ccc[nH]1)[NH2+]CC(=O)NCC#N ZINC001283570826 828525885 /nfs/dbraw/zinc/52/58/85/828525885.db2.gz FKVSJPXOUYTSKW-SNVBAGLBSA-N 1 0 277.328 -0.295 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001283570628 828526170 /nfs/dbraw/zinc/52/61/70/828526170.db2.gz KOBXNTYPEHMDLP-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)C1CC1 ZINC001283569981 828526388 /nfs/dbraw/zinc/52/63/88/828526388.db2.gz JKHQJYQQQMIEPX-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001283607646 828528207 /nfs/dbraw/zinc/52/82/07/828528207.db2.gz HGSDSIBGDXWTFJ-NEPJUHHUSA-N 1 0 293.371 -0.210 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001283737382 828538633 /nfs/dbraw/zinc/53/86/33/828538633.db2.gz ZSXPGHLUAHIVJN-SNVBAGLBSA-N 1 0 255.343 -0.667 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001283640260 828531433 /nfs/dbraw/zinc/53/14/33/828531433.db2.gz SFXCSWXCDLKYQO-RYUDHWBXSA-N 1 0 286.397 -0.119 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001283742352 828538778 /nfs/dbraw/zinc/53/87/78/828538778.db2.gz HEOXPWYNVYIQMU-LLVKDONJSA-N 1 0 260.297 -0.410 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C=C1CCC1 ZINC001283742306 828538809 /nfs/dbraw/zinc/53/88/09/828538809.db2.gz GUSULWWACUPUQM-WCQYABFASA-N 1 0 293.367 -0.699 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)COCC1CC1 ZINC001283736329 828538844 /nfs/dbraw/zinc/53/88/44/828538844.db2.gz WDPUHSNKEFTACP-LBPRGKRZSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)/C(C)=C\CC ZINC001283735196 828538929 /nfs/dbraw/zinc/53/89/29/828538929.db2.gz RUVZFZSGHABZDG-HUMZTAOYSA-N 1 0 281.356 -0.841 20 30 CBEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283713999 828535126 /nfs/dbraw/zinc/53/51/26/828535126.db2.gz NBKNNQBPYPBNJB-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001283715274 828535488 /nfs/dbraw/zinc/53/54/88/828535488.db2.gz TWXHTYHQKIDJAF-CHWSQXEVSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1C ZINC001283733951 828537843 /nfs/dbraw/zinc/53/78/43/828537843.db2.gz LGKBHZPSRZSSGG-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001283772735 828547415 /nfs/dbraw/zinc/54/74/15/828547415.db2.gz SMWYQHSHGXZMJA-WDEREUQCSA-N 1 0 292.401 -0.548 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1c(C)nn(C)c1C ZINC001283784984 828548180 /nfs/dbraw/zinc/54/81/80/828548180.db2.gz RBHLORNJSJVSOY-LBPRGKRZSA-N 1 0 280.372 -0.168 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(OC)n(C)n1 ZINC001283783123 828548394 /nfs/dbraw/zinc/54/83/94/828548394.db2.gz WARXQLYGBARYLF-JTQLQIEISA-N 1 0 280.328 -0.868 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)cc1 ZINC001283792028 828548407 /nfs/dbraw/zinc/54/84/07/828548407.db2.gz JGMLXTLYVXOUNH-GXFFZTMASA-N 1 0 289.335 -0.778 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001283786304 828548411 /nfs/dbraw/zinc/54/84/11/828548411.db2.gz YOBYZDAGLBLBRK-SNVBAGLBSA-N 1 0 279.296 -0.918 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1coc(OC)n1 ZINC001283783356 828548414 /nfs/dbraw/zinc/54/84/14/828548414.db2.gz HSDIOLLKVPRMNB-VIFPVBQESA-N 1 0 269.301 -0.060 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cncnc1 ZINC001283742897 828540198 /nfs/dbraw/zinc/54/01/98/828540198.db2.gz AOMHJDUAYAXLOB-LLVKDONJSA-N 1 0 250.302 -0.267 20 30 CBEDRO CC(C)OCC[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001283745388 828540953 /nfs/dbraw/zinc/54/09/53/828540953.db2.gz QJIJYKBJWIYDPA-GFCCVEGCSA-N 1 0 294.355 -0.008 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001283754615 828542186 /nfs/dbraw/zinc/54/21/86/828542186.db2.gz CMAXFQVVRFMLBA-CYBMUJFWSA-N 1 0 286.335 -0.044 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001283755028 828542715 /nfs/dbraw/zinc/54/27/15/828542715.db2.gz GMIZXCOXKVXISP-LLVKDONJSA-N 1 0 252.318 -0.785 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnn(CC)n1 ZINC001283755733 828542958 /nfs/dbraw/zinc/54/29/58/828542958.db2.gz JNQMIQAGZIORRE-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001283756226 828542966 /nfs/dbraw/zinc/54/29/66/828542966.db2.gz MLRWFWNOXSBSTO-YPMHNXCESA-N 1 0 293.367 -0.843 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C(C)C ZINC001283755863 828543015 /nfs/dbraw/zinc/54/30/15/828543015.db2.gz KIOYHNLKZOFTSY-ZDUSSCGKSA-N 1 0 297.399 -0.421 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C#CC1CC1 ZINC001283756223 828543019 /nfs/dbraw/zinc/54/30/19/828543019.db2.gz MLRWFWNOXSBSTO-AAEUAGOBSA-N 1 0 293.367 -0.843 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001283793579 828549328 /nfs/dbraw/zinc/54/93/28/828549328.db2.gz WBWIXMMAJLPNHA-NSHDSACASA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001283760508 828543717 /nfs/dbraw/zinc/54/37/17/828543717.db2.gz WUFYGBSWQFSZBY-UWVGGRQHSA-N 1 0 271.361 -0.471 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001283764198 828544830 /nfs/dbraw/zinc/54/48/30/828544830.db2.gz KIMITWIOLJCJJV-CYBMUJFWSA-N 1 0 278.356 -0.639 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001283764999 828544850 /nfs/dbraw/zinc/54/48/50/828544850.db2.gz PKBWDIAQVNOVRD-JTQLQIEISA-N 1 0 280.328 -0.468 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C1CC1 ZINC001283793577 828549367 /nfs/dbraw/zinc/54/93/67/828549367.db2.gz WBWIXMMAJLPNHA-LLVKDONJSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001283795767 828549420 /nfs/dbraw/zinc/54/94/20/828549420.db2.gz HHIBAFCYUFEFMY-SWLSCSKDSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cnn2ccncc12 ZINC001283766031 828545134 /nfs/dbraw/zinc/54/51/34/828545134.db2.gz YJGFUXYQLSUPQC-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccns1 ZINC001283764658 828545177 /nfs/dbraw/zinc/54/51/77/828545177.db2.gz MNZGXRHYKABRRE-SNVBAGLBSA-N 1 0 283.353 -0.527 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCn1ccccc1=O ZINC001283766021 828545473 /nfs/dbraw/zinc/54/54/73/828545473.db2.gz YIGOEOVIDOOXAD-LBPRGKRZSA-N 1 0 279.340 -0.509 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ncnc2[nH]ccc21 ZINC001283771501 828546205 /nfs/dbraw/zinc/54/62/05/828546205.db2.gz QICSWUYQSRKFQL-VIFPVBQESA-N 1 0 273.296 -0.777 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1COC ZINC001283769513 828546274 /nfs/dbraw/zinc/54/62/74/828546274.db2.gz DVNUOSDTOQENNI-LLVKDONJSA-N 1 0 296.371 -0.177 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001283769764 828546414 /nfs/dbraw/zinc/54/64/14/828546414.db2.gz FQNGODWWQHPFAV-NSHDSACASA-N 1 0 292.339 -0.405 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)o1 ZINC001283781324 828546770 /nfs/dbraw/zinc/54/67/70/828546770.db2.gz CPGGMQRFQQYALO-QMMMGPOBSA-N 1 0 267.285 -0.755 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)NC(C)=O ZINC001283803483 828550138 /nfs/dbraw/zinc/55/01/38/828550138.db2.gz GPMXJRSXLZKPEB-VXGBXAGGSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+][C@@H](CC)C(N)=O)C1 ZINC001283805073 828550195 /nfs/dbraw/zinc/55/01/95/828550195.db2.gz WBEHNAAFBBCTOV-MNOVXSKESA-N 1 0 283.372 -0.327 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC001283888309 828559599 /nfs/dbraw/zinc/55/95/99/828559599.db2.gz ZKYFBQBVEULJTL-VXGBXAGGSA-N 1 0 293.371 -0.263 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001283816318 828552327 /nfs/dbraw/zinc/55/23/27/828552327.db2.gz OXYPDCFHLKYLSB-VIFPVBQESA-N 1 0 253.306 -0.549 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)o1 ZINC001283815072 828552462 /nfs/dbraw/zinc/55/24/62/828552462.db2.gz JWBRFZAXNOFGRD-SNVBAGLBSA-N 1 0 266.297 -0.008 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCCC2 ZINC001283816418 828552617 /nfs/dbraw/zinc/55/26/17/828552617.db2.gz IRIGGCWINPFWCT-LBPRGKRZSA-N 1 0 290.367 -0.077 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)C1CC2(C1)CCOCC2 ZINC001283818081 828552694 /nfs/dbraw/zinc/55/26/94/828552694.db2.gz PGWJYISJCMGOQJ-ZDUSSCGKSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001283817942 828552810 /nfs/dbraw/zinc/55/28/10/828552810.db2.gz VCTDUPCDWYAHNJ-JSGCOSHPSA-N 1 0 292.383 -0.311 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1csc(CC)n1 ZINC001283831389 828554719 /nfs/dbraw/zinc/55/47/19/828554719.db2.gz KSTHKXQFEJBYIR-LLVKDONJSA-N 1 0 281.381 -0.052 20 30 CBEDRO 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LMDUSPHHRDDADK-UHFFFAOYSA-N 1 0 269.345 -0.804 20 30 CBEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196738724 824169508 /nfs/dbraw/zinc/16/95/08/824169508.db2.gz AUNRXJQHANVBLL-JHJVBQTASA-N 1 0 297.399 -0.019 20 30 CBEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001196846295 824170682 /nfs/dbraw/zinc/17/06/82/824170682.db2.gz YXOOVLHIMPVNJH-YNEHKIRRSA-N 1 0 295.383 -0.217 20 30 CBEDRO C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001196904755 824171896 /nfs/dbraw/zinc/17/18/96/824171896.db2.gz LUWBWHVLHGOMSN-VXGBXAGGSA-N 1 0 279.344 -0.444 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@H+](CCO)CC1 ZINC001197354354 824187464 /nfs/dbraw/zinc/18/74/64/824187464.db2.gz SMMWLBNUJVEJEB-AWEZNQCLSA-N 1 0 297.399 -0.016 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)COC)C1 ZINC001197365367 824188563 /nfs/dbraw/zinc/18/85/63/824188563.db2.gz CBNNJPVLZRNHSB-JHJVBQTASA-N 1 0 268.357 -0.156 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)COC)C1 ZINC001197365368 824189377 /nfs/dbraw/zinc/18/93/77/824189377.db2.gz CBNNJPVLZRNHSB-YNEHKIRRSA-N 1 0 268.357 -0.156 20 30 CBEDRO CC#CC[NH+]1CCC([C@H](C)NC(=O)Cn2cnnn2)CC1 ZINC001284704948 828619865 /nfs/dbraw/zinc/61/98/65/828619865.db2.gz AWWIGGLTFLWMSW-LBPRGKRZSA-N 1 0 290.371 -0.087 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(=O)NCC2CC2)C1 ZINC001197567548 824195694 /nfs/dbraw/zinc/19/56/94/824195694.db2.gz RTZPEUQGNANBRV-CHWSQXEVSA-N 1 0 295.383 -0.360 20 30 CBEDRO C[NH+](C)CCCCC(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001197942191 824208394 /nfs/dbraw/zinc/20/83/94/824208394.db2.gz WCEXPJKDDCUAMJ-VXGBXAGGSA-N 1 0 268.361 -0.597 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC(=O)NCC)C1 ZINC001197890330 824209243 /nfs/dbraw/zinc/20/92/43/824209243.db2.gz UQTXOXYHUZUELB-CHWSQXEVSA-N 1 0 295.383 -0.523 20 30 CBEDRO CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955057 824210199 /nfs/dbraw/zinc/21/01/99/824210199.db2.gz 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824237269 /nfs/dbraw/zinc/23/72/69/824237269.db2.gz BWNSTJFIDUIFDG-JHJVBQTASA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N2CCCC2=O)C1 ZINC001198825709 824241323 /nfs/dbraw/zinc/24/13/23/824241323.db2.gz FNLWTCRSBVZINI-JHJVBQTASA-N 1 0 293.367 -0.818 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)OCCOCC)C1 ZINC001199011065 824246696 /nfs/dbraw/zinc/24/66/96/824246696.db2.gz JAOKUKFUVYEAIN-BFHYXJOUSA-N 1 0 298.383 -0.387 20 30 CBEDRO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@H]1O)[NH+]1CCCC1 ZINC001199127493 824249114 /nfs/dbraw/zinc/24/91/14/824249114.db2.gz FJYPUMQMNUVWBZ-MCIONIFRSA-N 1 0 294.399 -0.208 20 30 CBEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@@H](C)NC(C)=O)CC1 ZINC001284880704 828627972 /nfs/dbraw/zinc/62/79/72/828627972.db2.gz NLOMRSSIBAHCFN-LLVKDONJSA-N 1 0 263.341 -0.108 20 30 CBEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199265934 824258718 /nfs/dbraw/zinc/25/87/18/824258718.db2.gz SPXOGIYFHRRDML-UHFFFAOYSA-N 1 0 274.752 -0.012 20 30 CBEDRO C=C(C)C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199258129 824259187 /nfs/dbraw/zinc/25/91/87/824259187.db2.gz XVHOORNJWPYMBX-UHFFFAOYSA-N 1 0 254.334 -0.189 20 30 CBEDRO C=CCOCC[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199274888 824259616 /nfs/dbraw/zinc/25/96/16/824259616.db2.gz YPHJKQSMYLUGDV-UHFFFAOYSA-N 1 0 284.360 -0.562 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001199297247 824261646 /nfs/dbraw/zinc/26/16/46/824261646.db2.gz DYQYMFBQUNSHEG-UHFFFAOYSA-N 1 0 288.351 -0.042 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)CN(C)C(C)=O)CC1 ZINC001199405931 824265883 /nfs/dbraw/zinc/26/58/83/824265883.db2.gz ADKMAPRZHQMDLR-UHFFFAOYSA-N 1 0 251.330 -0.322 20 30 CBEDRO CS[C@H](C)C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199401577 824266007 /nfs/dbraw/zinc/26/60/07/824266007.db2.gz VHSMBHPVVMKVGB-SNVBAGLBSA-N 1 0 298.412 -0.042 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001199523419 824272190 /nfs/dbraw/zinc/27/21/90/824272190.db2.gz CIAVFVZQEBNJHO-CHWSQXEVSA-N 1 0 293.371 -0.515 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C)OC)CC1 ZINC001199538587 824273174 /nfs/dbraw/zinc/27/31/74/824273174.db2.gz WVIBDEVLUVSNJN-NEPJUHHUSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001199538588 824273295 /nfs/dbraw/zinc/27/32/95/824273295.db2.gz WVIBDEVLUVSNJN-NWDGAFQWSA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001199545896 824274177 /nfs/dbraw/zinc/27/41/77/824274177.db2.gz RKTVJKPOGDUVLR-LLVKDONJSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CSCC#N)C2)C1 ZINC001284905269 828632858 /nfs/dbraw/zinc/63/28/58/828632858.db2.gz ATVHMMCTPBTNLM-SNVBAGLBSA-N 1 0 296.396 -0.478 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)COC)CCCO1 ZINC001199591671 824276261 /nfs/dbraw/zinc/27/62/61/824276261.db2.gz RSXYPRQJKMFJPN-ZDUSSCGKSA-N 1 0 284.356 -0.510 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)COC)CCCO1 ZINC001199601964 824276559 /nfs/dbraw/zinc/27/65/59/824276559.db2.gz XVRVHIVYDIULNK-LBPRGKRZSA-N 1 0 254.330 -0.137 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(C)=O)CCCO1 ZINC001199623919 824278212 /nfs/dbraw/zinc/27/82/12/824278212.db2.gz NHMLXTDLYDCOGN-DGCLKSJQSA-N 1 0 281.356 -0.649 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001284895639 828630845 /nfs/dbraw/zinc/63/08/45/828630845.db2.gz DQTOSAMINNOGAL-SWLSCSKDSA-N 1 0 297.399 -0.019 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCOC)CCCO1 ZINC001199654030 824280660 /nfs/dbraw/zinc/28/06/60/824280660.db2.gz RHGOWYNBHIGRFN-CQSZACIVSA-N 1 0 298.383 -0.120 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001284895640 828630888 /nfs/dbraw/zinc/63/08/88/828630888.db2.gz DQTOSAMINNOGAL-WFASDCNBSA-N 1 0 297.399 -0.019 20 30 CBEDRO CCOCCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199698191 824283511 /nfs/dbraw/zinc/28/35/11/824283511.db2.gz ITMFAJRFWFQSKL-UHFFFAOYSA-N 1 0 296.371 -0.367 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CCCO1 ZINC001199717386 824285000 /nfs/dbraw/zinc/28/50/00/824285000.db2.gz WGTIVAPMQVCLNJ-CYBMUJFWSA-N 1 0 281.356 -0.647 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CCCO1 ZINC001199715169 824285049 /nfs/dbraw/zinc/28/50/49/824285049.db2.gz BSHNTGFDXMCNMB-CYBMUJFWSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCCO1 ZINC001199763711 824286370 /nfs/dbraw/zinc/28/63/70/824286370.db2.gz UIJHRZGCNRZHGK-WCQYABFASA-N 1 0 281.356 -0.649 20 30 CBEDRO C=CCOCC(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001199788638 824289020 /nfs/dbraw/zinc/28/90/20/824289020.db2.gz VFZFVCFXJCRUMQ-CYBMUJFWSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOCC(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001199806266 824289881 /nfs/dbraw/zinc/28/98/81/824289881.db2.gz KVMFCIYDGGIESO-UHFFFAOYSA-N 1 0 294.359 -0.507 20 30 CBEDRO CC(C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001199863608 824293183 /nfs/dbraw/zinc/29/31/83/824293183.db2.gz KJAWRMGLNUAKSW-LBPRGKRZSA-N 1 0 296.371 -0.511 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cncn2)CCCO1 ZINC001199854239 824293282 /nfs/dbraw/zinc/29/32/82/824293282.db2.gz WBGQEDGKKCNQEC-CYBMUJFWSA-N 1 0 291.355 -0.492 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CCCO1 ZINC001199997861 824300995 /nfs/dbraw/zinc/30/09/95/824300995.db2.gz ANWQMHORBFSZSS-LLVKDONJSA-N 1 0 290.385 -0.576 20 30 CBEDRO C=CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200083338 824305312 /nfs/dbraw/zinc/30/53/12/824305312.db2.gz HEGDMPYSGSUUHK-NSHDSACASA-N 1 0 269.345 -0.355 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001200084048 824305663 /nfs/dbraw/zinc/30/56/63/824305663.db2.gz RZTALDXRJKZFDE-CHWSQXEVSA-N 1 0 293.367 -0.505 20 30 CBEDRO C=CCOCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001200092108 824306029 /nfs/dbraw/zinc/30/60/29/824306029.db2.gz DLNBIZOYLMMTNK-NWDGAFQWSA-N 1 0 299.371 -0.730 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001200114097 824306650 /nfs/dbraw/zinc/30/66/50/824306650.db2.gz AOZAWKQLUYIZLK-NEPJUHHUSA-N 1 0 296.371 -0.559 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200144329 824309828 /nfs/dbraw/zinc/30/98/28/824309828.db2.gz MPULDNYREUFSAK-LBPRGKRZSA-N 1 0 299.371 -0.729 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 ZINC001200174345 824310365 /nfs/dbraw/zinc/31/03/65/824310365.db2.gz ZHMYWBPUVGYPIP-ZDUSSCGKSA-N 1 0 276.340 -0.208 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 ZINC001200237526 824313483 /nfs/dbraw/zinc/31/34/83/824313483.db2.gz HGCQQDOPYWBNFK-QWHCGFSZSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCCO1 ZINC001200238494 824313658 /nfs/dbraw/zinc/31/36/58/824313658.db2.gz MYUKPTCYYISFKD-STQMWFEESA-N 1 0 293.367 -0.647 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CCC([NH2+]CCO)CC1 ZINC001200290436 824314476 /nfs/dbraw/zinc/31/44/76/824314476.db2.gz AXYMVRJETUGICZ-ZDUSSCGKSA-N 1 0 256.346 -0.114 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NC)CCCO1 ZINC001200338398 824315003 /nfs/dbraw/zinc/31/50/03/824315003.db2.gz NKVSVHMZXDSHGM-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCCC(=O)NC)CCCO1 ZINC001200338400 824315232 /nfs/dbraw/zinc/31/52/32/824315232.db2.gz NKVSVHMZXDSHGM-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCCCCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200321477 824315403 /nfs/dbraw/zinc/31/54/03/824315403.db2.gz IDMPIUDGPCHFNP-CYBMUJFWSA-N 1 0 295.383 -0.128 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001200334581 824315687 /nfs/dbraw/zinc/31/56/87/824315687.db2.gz RIQVGDVQBDBKOY-SWLSCSKDSA-N 1 0 295.383 -0.217 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CCCO[C@H](C[NH2+]CC=C)C1 ZINC001200311055 824315692 /nfs/dbraw/zinc/31/56/92/824315692.db2.gz ISJDWWNKCKZECR-CYBMUJFWSA-N 1 0 293.367 -0.481 20 30 CBEDRO C#CCC[NH2+]C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001200349140 824316099 /nfs/dbraw/zinc/31/60/99/824316099.db2.gz JNKOBHLLWQJIKW-LLVKDONJSA-N 1 0 265.313 -0.301 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200378667 824316936 /nfs/dbraw/zinc/31/69/36/824316936.db2.gz JVZFVCUTIKVGFB-GXTWGEPZSA-N 1 0 286.372 -0.487 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)CCNC(=O)NC)CC1 ZINC001200390311 824317229 /nfs/dbraw/zinc/31/72/29/824317229.db2.gz VCWXNZYNIOEAIZ-UHFFFAOYSA-N 1 0 266.345 -0.481 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCCO1 ZINC001200403866 824317420 /nfs/dbraw/zinc/31/74/20/824317420.db2.gz BTAUPEUSWIWZFG-QWRGUYRKSA-N 1 0 283.328 -0.512 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cn(C)nn2)CCCO1 ZINC001200420837 824317946 /nfs/dbraw/zinc/31/79/46/824317946.db2.gz ZOPDHPITKGJXJO-NSHDSACASA-N 1 0 277.328 -0.731 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2ncn(C)n2)CCCO1 ZINC001200437609 824318975 /nfs/dbraw/zinc/31/89/75/824318975.db2.gz YNQRXKWRKSLYEO-LBPRGKRZSA-N 1 0 291.355 -0.341 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)NC)CCCO1 ZINC001200436462 824319520 /nfs/dbraw/zinc/31/95/20/824319520.db2.gz PSSAEYQKFQSKME-GFCCVEGCSA-N 1 0 296.371 -0.854 20 30 CBEDRO O=C(C#CC1CC1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200453693 824320123 /nfs/dbraw/zinc/32/01/23/824320123.db2.gz YTXAZFROGILHNI-ZDUSSCGKSA-N 1 0 266.341 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)NC(N)=O)CCCO1 ZINC001200511753 824320369 /nfs/dbraw/zinc/32/03/69/824320369.db2.gz ZTEOCNACMKPCJH-NEPJUHHUSA-N 1 0 296.371 -0.726 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001200531534 824320581 /nfs/dbraw/zinc/32/05/81/824320581.db2.gz FKJNWUROIQGKPJ-NEPJUHHUSA-N 1 0 268.357 -0.014 20 30 CBEDRO C#CCOCCC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001200523435 824320660 /nfs/dbraw/zinc/32/06/60/824320660.db2.gz RRPZCHXTNAWKQO-CYBMUJFWSA-N 1 0 293.367 -0.505 20 30 CBEDRO C#CCOCCC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001200523122 824320718 /nfs/dbraw/zinc/32/07/18/824320718.db2.gz IESIYEIVZFKZRP-UHFFFAOYSA-N 1 0 295.383 -0.305 20 30 CBEDRO C=CC[NH2+]C1CCN(C(=O)CCS(=O)(=O)NC)CC1 ZINC001200532361 824320762 /nfs/dbraw/zinc/32/07/62/824320762.db2.gz PIBLAKFHIUZQNA-UHFFFAOYSA-N 1 0 289.401 -0.308 20 30 CBEDRO C#CCOCCC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001200523436 824320769 /nfs/dbraw/zinc/32/07/69/824320769.db2.gz RRPZCHXTNAWKQO-ZDUSSCGKSA-N 1 0 293.367 -0.505 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2nccn2)CCCO1 ZINC001200598475 824321218 /nfs/dbraw/zinc/32/12/18/824321218.db2.gz PDSABAKERRCTTM-GFCCVEGCSA-N 1 0 279.344 -0.329 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)CCCO1 ZINC001200573372 824321409 /nfs/dbraw/zinc/32/14/09/824321409.db2.gz IRUYYZPSNSYZEY-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+]C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001200592998 824321457 /nfs/dbraw/zinc/32/14/57/824321457.db2.gz JZMNFQSWNSIBAQ-UHFFFAOYSA-N 1 0 262.317 -0.723 20 30 CBEDRO C=CC[NH2+]C1CCN(C(=O)[C@H](C)NC(=O)COC)CC1 ZINC001200720814 824324471 /nfs/dbraw/zinc/32/44/71/824324471.db2.gz IKTCEXPNMLGMRK-NSHDSACASA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCCO1 ZINC001200680378 824324585 /nfs/dbraw/zinc/32/45/85/824324585.db2.gz OLGXBBOVLPMXGD-QWHCGFSZSA-N 1 0 293.367 -0.647 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)CCCO1 ZINC001200736789 824324953 /nfs/dbraw/zinc/32/49/53/824324953.db2.gz FXUOXAMAZUNHIH-QWHCGFSZSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CCC[NH2+]C1CCN(C(=O)CN(C)C(=O)COC)CC1 ZINC001200878000 824325568 /nfs/dbraw/zinc/32/55/68/824325568.db2.gz BAFUHKMUELIFPW-UHFFFAOYSA-N 1 0 295.383 -0.305 20 30 CBEDRO CC#CC[NH2+]C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001201067135 824327091 /nfs/dbraw/zinc/32/70/91/824327091.db2.gz XKBRYMIDUGVFLW-UHFFFAOYSA-N 1 0 293.367 -0.551 20 30 CBEDRO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201138079 824328003 /nfs/dbraw/zinc/32/80/03/824328003.db2.gz HZECUGJREKYNPL-LLVKDONJSA-N 1 0 283.372 -0.109 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)CC(N)=O)CCCO1 ZINC001201162330 824328244 /nfs/dbraw/zinc/32/82/44/824328244.db2.gz KHUXXDXVGFBZAP-STQMWFEESA-N 1 0 295.383 -0.272 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)CCCO1 ZINC001201156300 824328329 /nfs/dbraw/zinc/32/83/29/824328329.db2.gz RYXXPVPVPITHOB-RYUDHWBXSA-N 1 0 296.371 -0.597 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)CC(N)=O)CCCO1 ZINC001201161612 824328793 /nfs/dbraw/zinc/32/87/93/824328793.db2.gz DHVNUVYOQLCTCU-OLZOCXBDSA-N 1 0 295.383 -0.272 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269173 824330247 /nfs/dbraw/zinc/33/02/47/824330247.db2.gz LFGLWWQONCQOJF-GHMZBOCLSA-N 1 0 282.344 -0.939 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)CCCO1 ZINC001201402115 824332371 /nfs/dbraw/zinc/33/23/71/824332371.db2.gz AVXZMFUHZGYEPN-SWLSCSKDSA-N 1 0 295.383 -0.094 20 30 CBEDRO CC#CC[NH2+]C1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001201406105 824332642 /nfs/dbraw/zinc/33/26/42/824332642.db2.gz LUBSVNIWTJAIHT-UHFFFAOYSA-N 1 0 287.310 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2nonc2C)CCCO1 ZINC001201759515 824336106 /nfs/dbraw/zinc/33/61/06/824336106.db2.gz VYQCTZSLCWDVDG-GFCCVEGCSA-N 1 0 292.339 -0.239 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)C(=O)NCC2CC2)CCCO1 ZINC001201733982 824336260 /nfs/dbraw/zinc/33/62/60/824336260.db2.gz SWFJLCOUQSQEFQ-ZDUSSCGKSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)COCCCOC)CCCO1 ZINC001201823516 824336407 /nfs/dbraw/zinc/33/64/07/824336407.db2.gz IEUFJTFHEZUSMH-AWEZNQCLSA-N 1 0 298.383 -0.120 20 30 CBEDRO C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001201967624 824339167 /nfs/dbraw/zinc/33/91/67/824339167.db2.gz WGOGGISUNSGHBE-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202029161 824340140 /nfs/dbraw/zinc/34/01/40/824340140.db2.gz BITJLAVCYXCEGO-LBPRGKRZSA-N 1 0 298.387 -0.172 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001202005589 824340683 /nfs/dbraw/zinc/34/06/83/824340683.db2.gz FOYMKYFQURZNAF-ZDUSSCGKSA-N 1 0 291.355 -0.492 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CCCO1 ZINC001202030339 824340825 /nfs/dbraw/zinc/34/08/25/824340825.db2.gz PTYWVLGKNVTEBT-GFCCVEGCSA-N 1 0 298.387 -0.172 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCOCCOC)CCCO1 ZINC001202199635 824341674 /nfs/dbraw/zinc/34/16/74/824341674.db2.gz BWMIBEAENGAUFU-CQSZACIVSA-N 1 0 298.383 -0.120 20 30 CBEDRO CC#CC[NH2+]C1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001202261201 824343470 /nfs/dbraw/zinc/34/34/70/824343470.db2.gz RSGRXSRZNAXGAE-UHFFFAOYSA-N 1 0 263.341 -0.144 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(C)=O)C12CCC2 ZINC001202259358 824343692 /nfs/dbraw/zinc/34/36/92/824343692.db2.gz MNKPPJCBKQWZES-NWDGAFQWSA-N 1 0 263.341 -0.227 20 30 CBEDRO N#CCNC(=O)C[NH2+]C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001202446945 824347663 /nfs/dbraw/zinc/34/76/63/824347663.db2.gz JCFHGZIWVBIMBJ-UHFFFAOYSA-N 1 0 296.346 -0.044 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](COC)OC)CC1 ZINC001202416147 824347884 /nfs/dbraw/zinc/34/78/84/824347884.db2.gz 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C#CCOC[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001251848188 825795846 /nfs/dbraw/zinc/79/58/46/825795846.db2.gz VQAIAZKIZBNLTR-AWEZNQCLSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001251854477 825796493 /nfs/dbraw/zinc/79/64/93/825796493.db2.gz DVXXCRJVLMINFU-GFCCVEGCSA-N 1 0 282.340 -0.038 20 30 CBEDRO C#CCOC[C@@H](O)CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001251851924 825796913 /nfs/dbraw/zinc/79/69/13/825796913.db2.gz WDZZSQFCPBZMBA-OCCSQVGLSA-N 1 0 268.357 -0.598 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001251860246 825798049 /nfs/dbraw/zinc/79/80/49/825798049.db2.gz FVSHZVQZMPBDBV-FXJUQPSGSA-N 1 0 267.325 -0.262 20 30 CBEDRO C#CCOC[C@H](O)C[NH+]1CCC2(CC1)N=C(C)N(C)C2=O ZINC001251857923 825798653 /nfs/dbraw/zinc/79/86/53/825798653.db2.gz NIZRJFPSYSNEHK-CYBMUJFWSA-N 1 0 293.367 -0.278 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1CCN(C(=O)NCC)CC1 ZINC001251884678 825801262 /nfs/dbraw/zinc/80/12/62/825801262.db2.gz 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C#CCOC[C@H](O)C[NH2+]CCC(=O)NC(C)(C)C ZINC001251893317 825803914 /nfs/dbraw/zinc/80/39/14/825803914.db2.gz AZCUBDCILDDSIP-LLVKDONJSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H](CO)c1ccncc1 ZINC001251894103 825803924 /nfs/dbraw/zinc/80/39/24/825803924.db2.gz OXKLGZLNKGUNMV-CHWSQXEVSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001251893713 825804183 /nfs/dbraw/zinc/80/41/83/825804183.db2.gz ICCOLEWLHXEMOS-WDEREUQCSA-N 1 0 256.346 -0.253 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1CCN(C(=O)COC)CC1 ZINC001251896678 825804983 /nfs/dbraw/zinc/80/49/83/825804983.db2.gz LITAPFXJLHEEDN-CYBMUJFWSA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCCCCNC(C)=O ZINC001251897522 825805129 /nfs/dbraw/zinc/80/51/29/825805129.db2.gz ZGDHTTLVUZNKOB-ZDUSSCGKSA-N 1 0 256.346 -0.107 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1ccnc(OCC)n1 ZINC001251900645 825805258 /nfs/dbraw/zinc/80/52/58/825805258.db2.gz WVORRXPNNRKRQL-GFCCVEGCSA-N 1 0 265.313 -0.024 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001251900210 825805724 /nfs/dbraw/zinc/80/57/24/825805724.db2.gz LJWFBWLDYVSDFH-OLZOCXBDSA-N 1 0 254.330 -0.545 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCCCCNC(C)=O ZINC001251897518 825805563 /nfs/dbraw/zinc/80/55/63/825805563.db2.gz ZGDHTTLVUZNKOB-CYBMUJFWSA-N 1 0 256.346 -0.107 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]CCCCN1C(=O)C=CC1=O ZINC001251899883 825805613 /nfs/dbraw/zinc/80/56/13/825805613.db2.gz DSNJFEJXANOSDC-GFCCVEGCSA-N 1 0 280.324 -0.708 20 30 CBEDRO Cn1c(NCC[NH+]2CC=CC2)c(C#N)c(=O)n(C)c1=O ZINC001252153031 825832091 /nfs/dbraw/zinc/83/20/91/825832091.db2.gz GAVFMMGCXIQNGC-UHFFFAOYSA-N 1 0 275.312 -0.761 20 30 CBEDRO COC(=O)[C@@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001252441262 825858996 /nfs/dbraw/zinc/85/89/96/825858996.db2.gz HTHJUYIXPMQPMM-VIFPVBQESA-N 1 0 265.269 -0.975 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC001252453390 825865346 /nfs/dbraw/zinc/86/53/46/825865346.db2.gz IQVYGVWIUYJHPG-CYBMUJFWSA-N 1 0 258.362 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MMXRMUBFNIHVFT-LBPRGKRZSA-N 1 0 284.356 -0.469 20 30 CBEDRO C=CCOC[C@@H](O)CN1CCOC[C@@H]1C[NH+](C)C ZINC001252469864 825869692 /nfs/dbraw/zinc/86/96/92/825869692.db2.gz CQBJJKHRIXQBCG-STQMWFEESA-N 1 0 258.362 -0.188 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccncc1 ZINC001252483976 825870507 /nfs/dbraw/zinc/87/05/07/825870507.db2.gz YFEOYSNTPYWCKM-ZDUSSCGKSA-N 1 0 279.340 -0.036 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@]12C[C@H]1CN(C(C)=O)C2 ZINC001252486486 825870637 /nfs/dbraw/zinc/87/06/37/825870637.db2.gz YFYSLUMXMAGVHD-XQQFMLRXSA-N 1 0 254.330 -0.240 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001252481477 825870766 /nfs/dbraw/zinc/87/07/66/825870766.db2.gz CNCUYNJOLGNKLN-GHMZBOCLSA-N 1 0 255.318 -0.349 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@@H]1C[C@H](O)[C@H]2OC(C)(C)O[C@@H]12 ZINC001252486941 825870803 /nfs/dbraw/zinc/87/08/03/825870803.db2.gz KAYWVWBOJRXAAL-NAWOPXAZSA-N 1 0 287.356 -0.207 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001252487132 825871086 /nfs/dbraw/zinc/87/10/86/825871086.db2.gz MSUUXLJNFXRGON-NSHDSACASA-N 1 0 275.370 -0.283 20 30 CBEDRO C=CCOC[C@@H](O)CN1CC(N2CC[NH+](C)CC2)C1 ZINC001252473971 825871125 /nfs/dbraw/zinc/87/11/25/825871125.db2.gz UBSPFGVVQXLNPO-AWEZNQCLSA-N 1 0 269.389 -0.519 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252473974 825871180 /nfs/dbraw/zinc/87/11/80/825871180.db2.gz UBVUZCLATTVRFW-ZIAGYGMSSA-N 1 0 299.415 -0.308 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001252488196 825872092 /nfs/dbraw/zinc/87/20/92/825872092.db2.gz HSAGCDRMBDWGJD-CYBMUJFWSA-N 1 0 285.388 -0.696 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001252487566 825872547 /nfs/dbraw/zinc/87/25/47/825872547.db2.gz VQWPOUSKFRUUPZ-QWRGUYRKSA-N 1 0 263.359 -0.426 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001252490504 825872967 /nfs/dbraw/zinc/87/29/67/825872967.db2.gz IRSSUWODDFWFGJ-QWRGUYRKSA-N 1 0 278.374 -0.827 20 30 CBEDRO 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C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)NC(C)=O ZINC001268005500 827240904 /nfs/dbraw/zinc/24/09/04/827240904.db2.gz VLWTVOXFEBOVRK-PWSUYJOCSA-N 1 0 253.346 -0.124 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCCO1 ZINC001268049663 827247608 /nfs/dbraw/zinc/24/76/08/827247608.db2.gz KKXUFVXVLLCLEI-WDEREUQCSA-N 1 0 282.344 -0.758 20 30 CBEDRO CC(C)C#CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268059006 827249209 /nfs/dbraw/zinc/24/92/09/827249209.db2.gz DEJVSALENIIEEP-NWDGAFQWSA-N 1 0 293.367 -0.113 20 30 CBEDRO C=CCOCC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001268054988 827249650 /nfs/dbraw/zinc/24/96/50/827249650.db2.gz RSAHYEDGVLAEME-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CNC(=O)C1CC1 ZINC001268055182 827249975 /nfs/dbraw/zinc/24/99/75/827249975.db2.gz SMGAKRZCQLFPAW-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001268062939 827250275 /nfs/dbraw/zinc/25/02/75/827250275.db2.gz 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C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001268300463 827286006 /nfs/dbraw/zinc/28/60/06/827286006.db2.gz UWIATRHZNDDDJQ-BDAKNGLRSA-N 1 0 268.342 -0.131 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC=CCC1 ZINC001268302545 827286483 /nfs/dbraw/zinc/28/64/83/827286483.db2.gz WPBLCBHCFNBFPF-QWHCGFSZSA-N 1 0 295.383 -0.288 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnnn1C ZINC001268303259 827286722 /nfs/dbraw/zinc/28/67/22/827286722.db2.gz AOHZBLALYFUXGH-GHMZBOCLSA-N 1 0 281.360 -0.150 20 30 CBEDRO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001268303502 827286805 /nfs/dbraw/zinc/28/68/05/827286805.db2.gz AQLLHDOLNUSTIK-WCQYABFASA-N 1 0 295.383 -0.619 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001268303814 827286885 /nfs/dbraw/zinc/28/68/85/827286885.db2.gz IIUCHBUMDDEXIX-JSGCOSHPSA-N 1 0 296.371 -0.686 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C=C1CCC1 ZINC001268302636 827287380 /nfs/dbraw/zinc/28/73/80/827287380.db2.gz TXEUUCLKTUXLFQ-DGCLKSJQSA-N 1 0 295.383 -0.146 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001268304631 827288521 /nfs/dbraw/zinc/28/85/21/827288521.db2.gz PMYIEAQNQGIWBV-GFCCVEGCSA-N 1 0 295.314 -0.449 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001268304524 827289134 /nfs/dbraw/zinc/28/91/34/827289134.db2.gz MODWTJJWGDNETA-QMMMGPOBSA-N 1 0 258.709 -0.158 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnn1CC ZINC001268305873 827289694 /nfs/dbraw/zinc/28/96/94/827289694.db2.gz YIBDXBYXDGEOTP-NSHDSACASA-N 1 0 264.329 -0.393 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001268306098 827290256 /nfs/dbraw/zinc/29/02/56/827290256.db2.gz ZALCYNRJKGXWOF-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnn1CCC ZINC001268307091 827290365 /nfs/dbraw/zinc/29/03/65/827290365.db2.gz RGXDKEGSYRRJHQ-LLVKDONJSA-N 1 0 264.329 -0.393 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCc1cc(OC)no1 ZINC001268306179 827290380 /nfs/dbraw/zinc/29/03/80/827290380.db2.gz MDDXOVNNRMOLFM-NSHDSACASA-N 1 0 295.339 -0.294 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001268308707 827291048 /nfs/dbraw/zinc/29/10/48/827291048.db2.gz PLMYTZQGSJPGQI-QWHCGFSZSA-N 1 0 297.399 -0.064 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1(COC)CCOCC1 ZINC001268308245 827291122 /nfs/dbraw/zinc/29/11/22/827291122.db2.gz YYYGZBPJVJYWGV-ZDUSSCGKSA-N 1 0 298.383 -0.480 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001268308342 827291517 /nfs/dbraw/zinc/29/15/17/827291517.db2.gz LWBBEEJZQNSRBP-AAEUAGOBSA-N 1 0 288.351 -0.719 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268311975 827292923 /nfs/dbraw/zinc/29/29/23/827292923.db2.gz SJWYLUOIBSLQRK-NSHDSACASA-N 1 0 292.339 -0.497 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001268313095 827293777 /nfs/dbraw/zinc/29/37/77/827293777.db2.gz NGURFAZJFGUKJM-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001268314201 827294028 /nfs/dbraw/zinc/29/40/28/827294028.db2.gz HWIIIVYYDYADMX-LBPRGKRZSA-N 1 0 277.324 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1(c2cc(C)no2)CC1 ZINC001268318859 827296722 /nfs/dbraw/zinc/29/67/22/827296722.db2.gz CSFZJLYVBACEOB-NSHDSACASA-N 1 0 277.324 -0.285 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001268318392 827296798 /nfs/dbraw/zinc/29/67/98/827296798.db2.gz BEWZRTCWQFZSKH-BXUZGUMPSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccnc(C)n1 ZINC001268319476 827296863 /nfs/dbraw/zinc/29/68/63/827296863.db2.gz YIJUNAYPCOASBD-CYBMUJFWSA-N 1 0 276.340 -0.582 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](OCC)C1CCOCC1 ZINC001268318860 827297060 /nfs/dbraw/zinc/29/70/60/827297060.db2.gz RUTTUYRYBXYCOF-UONOGXRCSA-N 1 0 298.383 -0.482 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001268317583 827297067 /nfs/dbraw/zinc/29/70/67/827297067.db2.gz QXLIOQQPWITBKZ-LLVKDONJSA-N 1 0 292.339 -0.497 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268319391 827297113 /nfs/dbraw/zinc/29/71/13/827297113.db2.gz IAANENIBRSNQAY-NDBYEHHHSA-N 1 0 268.357 -0.088 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001268318925 827297126 /nfs/dbraw/zinc/29/71/26/827297126.db2.gz DHRKMCXHOFZOKK-DGAVXFQQSA-N 1 0 280.368 -0.251 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001268321159 827297844 /nfs/dbraw/zinc/29/78/44/827297844.db2.gz RJIBXFVLIFDWEQ-PWSUYJOCSA-N 1 0 258.293 -0.795 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001268321160 827298530 /nfs/dbraw/zinc/29/85/30/827298530.db2.gz RJIBXFVLIFDWEQ-ZYHUDNBSSA-N 1 0 258.293 -0.795 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C(C)(F)F ZINC001268323194 827300567 /nfs/dbraw/zinc/30/05/67/827300567.db2.gz WZEABODBUXFBRJ-QWRGUYRKSA-N 1 0 292.326 -0.006 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1nccs1 ZINC001268325686 827301124 /nfs/dbraw/zinc/30/11/24/827301124.db2.gz GMURWGRELOGTAV-VIFPVBQESA-N 1 0 298.368 -0.874 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc2cccnn21 ZINC001268324301 827301424 /nfs/dbraw/zinc/30/14/24/827301424.db2.gz MZWLWHKCKDQIAK-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001268325267 827301944 /nfs/dbraw/zinc/30/19/44/827301944.db2.gz CMDYJZIHSMDKKV-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cn(CC)nn1 ZINC001268327777 827302471 /nfs/dbraw/zinc/30/24/71/827302471.db2.gz UDGSCZIGMXRLOV-JTQLQIEISA-N 1 0 267.333 -0.446 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)CNC(C)=O ZINC001268328413 827302642 /nfs/dbraw/zinc/30/26/42/827302642.db2.gz NTLGSBVGKDPPQY-LBPRGKRZSA-N 1 0 285.388 -0.209 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1cncn1C ZINC001268328496 827303592 /nfs/dbraw/zinc/30/35/92/827303592.db2.gz NIJFRJVMNSHLSK-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C(F)F)c1 ZINC001268326752 827303627 /nfs/dbraw/zinc/30/36/27/827303627.db2.gz NQOBRGNRBVZXLM-VIFPVBQESA-N 1 0 272.255 -0.408 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001268329718 827304910 /nfs/dbraw/zinc/30/49/10/827304910.db2.gz XQXOJQRMNVPWKR-GHMZBOCLSA-N 1 0 269.345 -0.702 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001268335296 827307198 /nfs/dbraw/zinc/30/71/98/827307198.db2.gz KXGKWYGXWBPFRZ-GXFFZTMASA-N 1 0 292.383 -0.095 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268335288 827307209 /nfs/dbraw/zinc/30/72/09/827307209.db2.gz RIRNGUQIURUPQN-KGLIPLIRSA-N 1 0 281.400 -0.049 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268335287 827308524 /nfs/dbraw/zinc/30/85/24/827308524.db2.gz RIRNGUQIURUPQN-KBPBESRZSA-N 1 0 281.400 -0.049 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001268336529 827309196 /nfs/dbraw/zinc/30/91/96/827309196.db2.gz UPKOPRNZNRKKAU-LLVKDONJSA-N 1 0 285.388 -0.209 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001268338255 827310122 /nfs/dbraw/zinc/31/01/22/827310122.db2.gz MSWDPMSBJOMTPS-WFASDCNBSA-N 1 0 295.383 -0.475 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCCc1nc(C)no1 ZINC001268337211 827310313 /nfs/dbraw/zinc/31/03/13/827310313.db2.gz YIOGYKBGOSYBAT-LBPRGKRZSA-N 1 0 294.355 -0.209 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001268340143 827311141 /nfs/dbraw/zinc/31/11/41/827311141.db2.gz ZDHRONAELUUIHK-WCQYABFASA-N 1 0 278.356 -0.386 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1ccccn1 ZINC001268340582 827311397 /nfs/dbraw/zinc/31/13/97/827311397.db2.gz UQKOKLWILKCBGI-GFCCVEGCSA-N 1 0 288.351 -0.071 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cccn1C ZINC001268348229 827312799 /nfs/dbraw/zinc/31/27/99/827312799.db2.gz YUAHGMVFCBWNAO-NSHDSACASA-N 1 0 291.355 -0.237 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001268345712 827313279 /nfs/dbraw/zinc/31/32/79/827313279.db2.gz QOCBGBJFGINAON-NEPJUHHUSA-N 1 0 299.371 -0.812 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001268372477 827317092 /nfs/dbraw/zinc/31/70/92/827317092.db2.gz ZEYQKYSAQSVTIM-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1COCCN1CC ZINC001268377541 827318174 /nfs/dbraw/zinc/31/81/74/827318174.db2.gz KIEWFXDEFFCCLR-STQMWFEESA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001268380846 827319813 /nfs/dbraw/zinc/31/98/13/827319813.db2.gz AWHTYGSAMCWXHI-WDEREUQCSA-N 1 0 272.370 -0.461 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1C ZINC001268390423 827321526 /nfs/dbraw/zinc/32/15/26/827321526.db2.gz DFSVUNQMQBZSGN-OUAUKWLOSA-N 1 0 266.345 -0.233 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268406351 827322514 /nfs/dbraw/zinc/32/25/14/827322514.db2.gz WIRCZIPKXSTAAH-NSHDSACASA-N 1 0 263.345 -0.135 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ncccn1 ZINC001268408256 827322685 /nfs/dbraw/zinc/32/26/85/827322685.db2.gz AHKNRYUKKWPXBA-JTQLQIEISA-N 1 0 290.327 -0.786 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001268422678 827324148 /nfs/dbraw/zinc/32/41/48/827324148.db2.gz BFCBQPBYZULNJY-QWRGUYRKSA-N 1 0 272.370 -0.319 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001268416699 827324846 /nfs/dbraw/zinc/32/48/46/827324846.db2.gz IFURXIOWOUEOCD-JTQLQIEISA-N 1 0 280.328 -0.954 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cccnc1 ZINC001268428040 827327094 /nfs/dbraw/zinc/32/70/94/827327094.db2.gz AOCNAIZAEMRYAA-UHFFFAOYSA-N 1 0 288.351 -0.117 20 30 CBEDRO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C#CC1CC1 ZINC001268448037 827333051 /nfs/dbraw/zinc/33/30/51/827333051.db2.gz BNQVZTIJVUQTHU-GFCCVEGCSA-N 1 0 263.341 -0.274 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCCNC1=O ZINC001268457338 827333794 /nfs/dbraw/zinc/33/37/94/827333794.db2.gz BUMYTGDQHPTLOC-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CN1CCNC(=O)C1 ZINC001268468956 827335308 /nfs/dbraw/zinc/33/53/08/827335308.db2.gz HLKKCLADDYZOAY-UHFFFAOYSA-N 1 0 268.361 -0.958 20 30 CBEDRO C[C@@H]1C[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001268506958 827345889 /nfs/dbraw/zinc/34/58/89/827345889.db2.gz LAZNZDHRKFNVOD-NTYHVHHESA-N 1 0 264.329 -0.456 20 30 CBEDRO C[C@@H]([NH2+]C/C=C\CNC(=O)CSCC#N)C(N)=O ZINC001268515304 827348808 /nfs/dbraw/zinc/34/88/08/827348808.db2.gz UVBDEFPHGJBFOS-PKRMOACSSA-N 1 0 270.358 -0.621 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)OC ZINC001268517549 827350499 /nfs/dbraw/zinc/35/04/99/827350499.db2.gz KKHQWGMHGYCOEB-QMAVJUDZSA-N 1 0 254.330 -0.067 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC(C)(C)O ZINC001268532694 827357045 /nfs/dbraw/zinc/35/70/45/827357045.db2.gz KZLJACTWLQSAJA-AATRIKPKSA-N 1 0 281.356 -0.841 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CC(C)(C)O ZINC001268531960 827357440 /nfs/dbraw/zinc/35/74/40/827357440.db2.gz HAAAJLSUBZRZNJ-SYTKJHMZSA-N 1 0 295.383 -0.453 20 30 CBEDRO CC(C)C#CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001268536290 827359508 /nfs/dbraw/zinc/35/95/08/827359508.db2.gz JJVNJNVNALUQHP-ARJAWSKDSA-N 1 0 280.328 -0.897 20 30 CBEDRO CC(C)C#CC(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268535908 827359779 /nfs/dbraw/zinc/35/97/79/827359779.db2.gz FQKRBLGGQUUCBF-DOGVGXBMSA-N 1 0 294.355 -0.509 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)C1CS(=O)(=O)C1 ZINC001268543776 827361680 /nfs/dbraw/zinc/36/16/80/827361680.db2.gz JXDPVPKVAOAVOH-PLNGDYQASA-N 1 0 272.370 -0.131 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)c1cc(=O)n(C)cn1 ZINC001268552883 827362914 /nfs/dbraw/zinc/36/29/14/827362914.db2.gz QCTKKIKWPZOMLQ-WAYWQWQTSA-N 1 0 274.324 -0.321 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001268564010 827367590 /nfs/dbraw/zinc/36/75/90/827367590.db2.gz HUYOENYRIOQDPN-RXNFCKPNSA-N 1 0 284.381 -0.294 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)CC(N)=O ZINC001268575501 827368939 /nfs/dbraw/zinc/36/89/39/827368939.db2.gz YNWUEBRICXDHCG-QRGHLMKCSA-N 1 0 251.330 -0.217 20 30 CBEDRO C[C@H]1C[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001268578936 827369521 /nfs/dbraw/zinc/36/95/21/827369521.db2.gz LAZNZDHRKFNVOD-NPRAVPSUSA-N 1 0 264.329 -0.456 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268579705 827369999 /nfs/dbraw/zinc/36/99/99/827369999.db2.gz GTELCUVTQLHHOA-FJOGCWAESA-N 1 0 263.341 -0.250 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@@]1(C)CCNC1=O ZINC001268590413 827373041 /nfs/dbraw/zinc/37/30/41/827373041.db2.gz FUBZGUZQJZPEML-VBROQKIQSA-N 1 0 263.341 -0.202 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@]1(C)CCNC1=O ZINC001268590411 827374052 /nfs/dbraw/zinc/37/40/52/827374052.db2.gz FUBZGUZQJZPEML-GJBLVYBDSA-N 1 0 263.341 -0.202 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001268603014 827378909 /nfs/dbraw/zinc/37/89/09/827378909.db2.gz PYIWGVGXVSUSKQ-DSYXLKISSA-N 1 0 284.381 -0.151 20 30 CBEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268623650 827382199 /nfs/dbraw/zinc/38/21/99/827382199.db2.gz QGLZHIPTBPVOIN-BYCRGOAPSA-N 1 0 294.355 -0.187 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268625372 827382672 /nfs/dbraw/zinc/38/26/72/827382672.db2.gz HAINQZHOORLEPM-PLNGDYQASA-N 1 0 278.312 -0.453 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268623633 827383034 /nfs/dbraw/zinc/38/30/34/827383034.db2.gz QBHARDGIFBVQLK-WAYWQWQTSA-N 1 0 294.355 -0.282 20 30 CBEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001268623652 827383642 /nfs/dbraw/zinc/38/36/42/827383642.db2.gz QGLZHIPTBPVOIN-PGLGOXFNSA-N 1 0 294.355 -0.187 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001268635522 827385364 /nfs/dbraw/zinc/38/53/64/827385364.db2.gz FNOYGRDLPRJIOY-GFCCVEGCSA-N 1 0 277.324 -0.322 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001268640000 827386241 /nfs/dbraw/zinc/38/62/41/827386241.db2.gz OBJHCQHBVDRWMI-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cnsn1 ZINC001268638319 827386542 /nfs/dbraw/zinc/38/65/42/827386542.db2.gz MNSACMMBHGFRSK-SECBINFHSA-N 1 0 268.342 -0.104 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268641490 827388544 /nfs/dbraw/zinc/38/85/44/827388544.db2.gz INKJMVUWTKHREF-CHWSQXEVSA-N 1 0 283.372 -0.939 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001268645629 827390753 /nfs/dbraw/zinc/39/07/53/827390753.db2.gz FTMFUTJJIOUIJO-MNOVXSKESA-N 1 0 281.356 -0.602 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001268643807 827390812 /nfs/dbraw/zinc/39/08/12/827390812.db2.gz CMBQJMWCCFLQEQ-QMTHXVAHSA-N 1 0 283.372 -0.314 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001268644646 827391586 /nfs/dbraw/zinc/39/15/86/827391586.db2.gz KDQGDGAGZNTNRK-ZJUUUORDSA-N 1 0 279.344 -0.192 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001268651355 827392088 /nfs/dbraw/zinc/39/20/88/827392088.db2.gz BMVXOSFNRTXHCB-SECBINFHSA-N 1 0 291.298 -0.888 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001268651724 827392493 /nfs/dbraw/zinc/39/24/93/827392493.db2.gz NLONJJOFNGRJTH-GFCCVEGCSA-N 1 0 291.351 -0.257 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC1(F)F ZINC001268650289 827392688 /nfs/dbraw/zinc/39/26/88/827392688.db2.gz FXXJKWONHFMQLY-NXEZZACHSA-N 1 0 287.310 -0.125 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001268657210 827394761 /nfs/dbraw/zinc/39/47/61/827394761.db2.gz NAOPDBBGXAGTKZ-CHWSQXEVSA-N 1 0 296.415 -0.133 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1cnoc1 ZINC001268658609 827395036 /nfs/dbraw/zinc/39/50/36/827395036.db2.gz MBLLRACGNHOEEN-SNVBAGLBSA-N 1 0 278.312 -0.939 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@H](C)C[NH2+]CC(=O)NC)c1 ZINC001268661383 827395678 /nfs/dbraw/zinc/39/56/78/827395678.db2.gz SQKYDFMRWNDKPG-SNVBAGLBSA-N 1 0 274.324 -0.483 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001268667437 827397480 /nfs/dbraw/zinc/39/74/80/827397480.db2.gz VVTPBVGLTAOIJF-SECBINFHSA-N 1 0 292.339 -0.144 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CCn1cnccc1=O ZINC001268667098 827397509 /nfs/dbraw/zinc/39/75/09/827397509.db2.gz IDMJNTBIWFPRLR-LLVKDONJSA-N 1 0 264.329 -0.086 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccc[nH]1 ZINC001268673983 827399215 /nfs/dbraw/zinc/39/92/15/827399215.db2.gz JPWRNJSGPPBVRR-LLVKDONJSA-N 1 0 278.356 -0.046 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)COC1CCCC1 ZINC001268678622 827400698 /nfs/dbraw/zinc/40/06/98/827400698.db2.gz LAICPGUNQFWVBK-LBPRGKRZSA-N 1 0 295.383 -0.211 20 30 CBEDRO CCc1ocnc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268681216 827401529 /nfs/dbraw/zinc/40/15/29/827401529.db2.gz CXCOKYUXGSAEHK-VIFPVBQESA-N 1 0 293.327 -0.415 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCOCC1 ZINC001268685098 827402067 /nfs/dbraw/zinc/40/20/67/827402067.db2.gz ATRXFNSQIGGCLX-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCCCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268684934 827402636 /nfs/dbraw/zinc/40/26/36/827402636.db2.gz YDRVEMHMLSXHQP-WDEREUQCSA-N 1 0 279.340 -0.311 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001268683308 827402895 /nfs/dbraw/zinc/40/28/95/827402895.db2.gz UZADCUYJASVZFO-UWVGGRQHSA-N 1 0 255.318 -0.828 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001268682971 827403047 /nfs/dbraw/zinc/40/30/47/827403047.db2.gz OCAHILGSWQELDN-ZJUUUORDSA-N 1 0 252.318 -0.527 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001268689384 827403377 /nfs/dbraw/zinc/40/33/77/827403377.db2.gz VODOGGPJNNBMPE-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)C#CC1CC1 ZINC001268685466 827403746 /nfs/dbraw/zinc/40/37/46/827403746.db2.gz DJZAZPODBJLNOH-AAEUAGOBSA-N 1 0 298.408 -0.071 20 30 CBEDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)C#CC(C)(C)C)C(=O)NC(N)=O ZINC001268685927 827403985 /nfs/dbraw/zinc/40/39/85/827403985.db2.gz NFUSCACMWXIHDZ-VHSXEESVSA-N 1 0 296.371 -0.286 20 30 CBEDRO C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C#CC(C)(C)C ZINC001268685924 827404331 /nfs/dbraw/zinc/40/43/31/827404331.db2.gz NFUSCACMWXIHDZ-UWVGGRQHSA-N 1 0 296.371 -0.286 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001268694115 827404801 /nfs/dbraw/zinc/40/48/01/827404801.db2.gz VJIRWOBVCUVTGQ-WDEREUQCSA-N 1 0 291.355 -0.336 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnco1 ZINC001268698637 827404863 /nfs/dbraw/zinc/40/48/63/827404863.db2.gz SORHDZNYHNLIHD-VIFPVBQESA-N 1 0 264.285 -0.868 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001268691229 827404956 /nfs/dbraw/zinc/40/49/56/827404956.db2.gz QJAPASCQJPOFKR-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001268693927 827404962 /nfs/dbraw/zinc/40/49/62/827404962.db2.gz GITVEZOLOAAUDS-DTWKUNHWSA-N 1 0 280.332 -0.797 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001268693803 827405366 /nfs/dbraw/zinc/40/53/66/827405366.db2.gz MPZPWIVMNRAEHV-JTQLQIEISA-N 1 0 267.333 -0.748 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001268693884 827405531 /nfs/dbraw/zinc/40/55/31/827405531.db2.gz FFGCWQVKMOEGNN-VIFPVBQESA-N 1 0 299.352 -0.342 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001268705803 827407650 /nfs/dbraw/zinc/40/76/50/827407650.db2.gz MEFNEYDNDFDRBU-WDEREUQCSA-N 1 0 293.371 -0.263 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC12CC2 ZINC001268705875 827408041 /nfs/dbraw/zinc/40/80/41/827408041.db2.gz OUWFFKHPMRHXIK-UWVGGRQHSA-N 1 0 264.329 -0.479 20 30 CBEDRO CO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)C(C)C ZINC001268704172 827408072 /nfs/dbraw/zinc/40/80/72/827408072.db2.gz YIIZIYFIIFXOET-JQWIXIFHSA-N 1 0 284.360 -0.609 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001268711775 827408896 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RLZRWHKTOAOCLL-UHFFFAOYSA-N 1 0 293.371 -0.175 20 30 CBEDRO C#CCC[NH2+]CCCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268912263 827438757 /nfs/dbraw/zinc/43/87/57/827438757.db2.gz XAKLGKLLZYSLAJ-UHFFFAOYSA-N 1 0 294.355 -0.658 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001268944325 827442315 /nfs/dbraw/zinc/44/23/15/827442315.db2.gz SCWCZOHIJHYSBX-AGIUHOORSA-N 1 0 266.341 -0.308 20 30 CBEDRO C#CC(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001268945071 827443145 /nfs/dbraw/zinc/44/31/45/827443145.db2.gz YPGQXGYIIZMSPU-OAHLLOKOSA-N 1 0 279.384 -0.125 20 30 CBEDRO C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CCS)C[C@@H]21 ZINC001268960951 827445323 /nfs/dbraw/zinc/44/53/23/827445323.db2.gz JLTXUHDGINYKDN-RYUDHWBXSA-N 1 0 287.429 -0.221 20 30 CBEDRO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001269000590 827447309 /nfs/dbraw/zinc/44/73/09/827447309.db2.gz RZYSZSBWRQFEAN-ZJUUUORDSA-N 1 0 257.359 -0.186 20 30 CBEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001269030000 827452162 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O=C(C#CC1CC1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001269066558 827459605 /nfs/dbraw/zinc/45/96/05/827459605.db2.gz HNHPULCSCDTEKV-OLZOCXBDSA-N 1 0 275.352 -0.227 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001269071449 827459893 /nfs/dbraw/zinc/45/98/93/827459893.db2.gz JSKPIPSLZVJNBM-YPMHNXCESA-N 1 0 295.383 -0.403 20 30 CBEDRO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001269084502 827461275 /nfs/dbraw/zinc/46/12/75/827461275.db2.gz USCCHXGLHSLTDM-RYUDHWBXSA-N 1 0 281.356 -0.342 20 30 CBEDRO COC[C@H](C)CC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001269078621 827461742 /nfs/dbraw/zinc/46/17/42/827461742.db2.gz LFRBPBWDANHIHU-NEPJUHHUSA-N 1 0 296.371 -0.511 20 30 CBEDRO C=CCN1C[C@@]2(CCN(C(=O)C[N@@H+](C)CC)C2)OCC1=O ZINC001269092686 827462214 /nfs/dbraw/zinc/46/22/14/827462214.db2.gz DZRIFOOMOAMPMT-OAHLLOKOSA-N 1 0 295.383 -0.046 20 30 CBEDRO C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001269098815 827463255 /nfs/dbraw/zinc/46/32/55/827463255.db2.gz BKPFFNQZYYUSMB-GHMZBOCLSA-N 1 0 266.345 -0.320 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)C1(C(=O)NC)CC1)C1CC1 ZINC001269124129 827466413 /nfs/dbraw/zinc/46/64/13/827466413.db2.gz FVVWXKPZDOOSDQ-LLVKDONJSA-N 1 0 263.341 -0.370 20 30 CBEDRO C#CC[NH2+]C[C@@H](NC(=O)CN1CCC(=O)NC1=O)C1CC1 ZINC001269136443 827467711 /nfs/dbraw/zinc/46/77/11/827467711.db2.gz XAQQVAXICJKEKS-LLVKDONJSA-N 1 0 292.339 -0.954 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001269129685 827467838 /nfs/dbraw/zinc/46/78/38/827467838.db2.gz OXVIEHJPOMKGMJ-VHSXEESVSA-N 1 0 252.318 -0.743 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](NC(=O)c1cnon1)C1CC1 ZINC001269130770 827468450 /nfs/dbraw/zinc/46/84/50/827468450.db2.gz WLSHDGGLHUIFEM-LLVKDONJSA-N 1 0 278.312 -0.183 20 30 CBEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001269234829 827481190 /nfs/dbraw/zinc/48/11/90/827481190.db2.gz DOMGXJMXTADAQN-JTQLQIEISA-N 1 0 292.343 -0.856 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001269272253 827487488 /nfs/dbraw/zinc/48/74/88/827487488.db2.gz JDFVOCXMXCDSLC-NEPJUHHUSA-N 1 0 296.371 -0.597 20 30 CBEDRO C#CCCCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001270035287 827541770 /nfs/dbraw/zinc/54/17/70/827541770.db2.gz YRPNUURWCQQKRM-NSHDSACASA-N 1 0 251.330 -0.144 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(C)=O ZINC001269361526 827497814 /nfs/dbraw/zinc/49/78/14/827497814.db2.gz YLDJDJZKJKHVGD-JTQLQIEISA-N 1 0 270.333 -0.498 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cnn(C)c1 ZINC001269366043 827499482 /nfs/dbraw/zinc/49/94/82/827499482.db2.gz HEDLNKSRMSMLBB-GFCCVEGCSA-N 1 0 293.371 -0.180 20 30 CBEDRO C=CCOCC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCNC1=O ZINC001269378020 827500686 /nfs/dbraw/zinc/50/06/86/827500686.db2.gz MDOLVBXMOFGGBA-GHMZBOCLSA-N 1 0 269.345 -0.438 20 30 CBEDRO COC[C@@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269383284 827501451 /nfs/dbraw/zinc/50/14/51/827501451.db2.gz DVFBABLJKJQLCK-SNVBAGLBSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H](C)OC)CC1 ZINC001269383627 827501506 /nfs/dbraw/zinc/50/15/06/827501506.db2.gz LFPVWLDFRMMIPO-NSHDSACASA-N 1 0 281.356 -0.601 20 30 CBEDRO CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)[NH2+]CC#CCOC ZINC001269396788 827503040 /nfs/dbraw/zinc/50/30/40/827503040.db2.gz HJTKAOVKTROHBV-AWEZNQCLSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)c2nnn(C)c2C)CC1 ZINC001269393196 827503048 /nfs/dbraw/zinc/50/30/48/827503048.db2.gz BPCJMYGFZACMHJ-UHFFFAOYSA-N 1 0 261.329 -0.001 20 30 CBEDRO CC[C@@H](CNC(=O)C1=CCOCC1)[NH2+]CC(=O)NCC#N ZINC001269396277 827503473 /nfs/dbraw/zinc/50/34/73/827503473.db2.gz DYRFLTGNMCBIMJ-LBPRGKRZSA-N 1 0 294.355 -0.543 20 30 CBEDRO CC[C@H](CNC(=O)c1ccns1)[NH2+]CC(=O)NCC#N ZINC001269413152 827506876 /nfs/dbraw/zinc/50/68/76/827506876.db2.gz QNTPDOMGROMBSB-SECBINFHSA-N 1 0 295.368 -0.119 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001269437712 827508704 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C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](COC)OC)C1 ZINC001271981514 827746383 /nfs/dbraw/zinc/74/63/83/827746383.db2.gz GUNDUTIPFGKNEK-GXTWGEPZSA-N 1 0 286.372 -0.223 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@]1(CC)CCNC1=O ZINC001272040826 827751437 /nfs/dbraw/zinc/75/14/37/827751437.db2.gz GIAIPFPWFAFILK-CQSZACIVSA-N 1 0 265.357 -0.074 20 30 CBEDRO Cc1cc(C[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)ncn1 ZINC001272129879 827760532 /nfs/dbraw/zinc/76/05/32/827760532.db2.gz UHNYWOAGWLVQJZ-NSHDSACASA-N 1 0 291.355 -0.145 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCN(CCO)C(=O)C1CC=CC1 ZINC001272136469 827760969 /nfs/dbraw/zinc/76/09/69/827760969.db2.gz TUCIOEZKTQBQSG-UHFFFAOYSA-N 1 0 294.355 -0.997 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)CC1OCCCO1 ZINC001272150474 827761907 /nfs/dbraw/zinc/76/19/07/827761907.db2.gz WXFMCYPQRWSNEA-UHFFFAOYSA-N 1 0 270.329 -0.817 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@@H](C)n1cncn1 ZINC001272150120 827762755 /nfs/dbraw/zinc/76/27/55/827762755.db2.gz QBFZHQAWWFCAEP-GFCCVEGCSA-N 1 0 279.344 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20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1csnn1 ZINC001272218183 827770410 /nfs/dbraw/zinc/77/04/10/827770410.db2.gz JUMOZXSREQCVKC-UHFFFAOYSA-N 1 0 268.342 -0.415 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1n[nH]c2c1CCCC2 ZINC001272202825 827771064 /nfs/dbraw/zinc/77/10/64/827771064.db2.gz WHRSIABWTWDAGJ-UHFFFAOYSA-N 1 0 290.367 -0.054 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001272225229 827772301 /nfs/dbraw/zinc/77/23/01/827772301.db2.gz MRURLJCSMKFGAF-MNOVXSKESA-N 1 0 269.345 -0.906 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001272242729 827773910 /nfs/dbraw/zinc/77/39/10/827773910.db2.gz JXWQJECHUYGLHA-LLVKDONJSA-N 1 0 293.371 -0.179 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CSCC#N ZINC001272243546 827773937 /nfs/dbraw/zinc/77/39/37/827773937.db2.gz LGUMRDDVVQBKRR-MNOVXSKESA-N 1 0 298.412 -0.136 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCNC(=O)NC ZINC001272260457 827774966 /nfs/dbraw/zinc/77/49/66/827774966.db2.gz HEKWNLUDRJJIDS-NWDGAFQWSA-N 1 0 280.372 -0.187 20 30 CBEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001272258392 827775246 /nfs/dbraw/zinc/77/52/46/827775246.db2.gz JAGLWDVDCFGJCX-UHFFFAOYSA-N 1 0 294.355 -0.286 20 30 CBEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)c1cnon1 ZINC001272276660 827776563 /nfs/dbraw/zinc/77/65/63/827776563.db2.gz BEARJQLHRLATNO-UHFFFAOYSA-N 1 0 254.290 -0.330 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001272278448 827776815 /nfs/dbraw/zinc/77/68/15/827776815.db2.gz DIOGVTBNABXYNX-NWDGAFQWSA-N 1 0 291.355 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1nnn(C)n1 ZINC001272302193 827777443 /nfs/dbraw/zinc/77/74/43/827777443.db2.gz PDBKDPXJRFXWCB-NXEZZACHSA-N 1 0 262.317 -0.669 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)c1ccc(C(N)=O)nc1 ZINC001272321765 827780773 /nfs/dbraw/zinc/78/07/73/827780773.db2.gz IUWJQQZIVHQLCP-UHFFFAOYSA-N 1 0 292.339 -0.609 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001272350644 827782202 /nfs/dbraw/zinc/78/22/02/827782202.db2.gz CHUCPDHDYKKJCU-LBPRGKRZSA-N 1 0 254.330 -0.497 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccco1 ZINC001272350862 827782977 /nfs/dbraw/zinc/78/29/77/827782977.db2.gz DQJCGNLGPGTTHE-NSHDSACASA-N 1 0 266.297 -0.390 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC=CCC1 ZINC001272362347 827785263 /nfs/dbraw/zinc/78/52/63/827785263.db2.gz MRPQFAVOJNQYFN-QWHCGFSZSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001272362381 827785729 /nfs/dbraw/zinc/78/57/29/827785729.db2.gz NLRRZXSOOCWDTP-LLVKDONJSA-N 1 0 251.286 -0.814 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001272372938 827787265 /nfs/dbraw/zinc/78/72/65/827787265.db2.gz TWKSZEFMDULTSY-NWDGAFQWSA-N 1 0 264.329 -0.466 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001272381732 827788551 /nfs/dbraw/zinc/78/85/51/827788551.db2.gz VYSYIGVYJTUWKU-GFCCVEGCSA-N 1 0 254.330 -0.331 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCN1CCCC1=O ZINC001272380339 827788968 /nfs/dbraw/zinc/78/89/68/827788968.db2.gz MEPIQXJZDXNFED-VXGBXAGGSA-N 1 0 296.371 -0.775 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1nccnc1N ZINC001272381914 827789371 /nfs/dbraw/zinc/78/93/71/827789371.db2.gz YEQWFXLXOLVHSO-SECBINFHSA-N 1 0 265.317 -0.685 20 30 CBEDRO C[C@@H](O)CCC[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001272390048 827789836 /nfs/dbraw/zinc/78/98/36/827789836.db2.gz WKWWLZUUEZKJCE-PWSUYJOCSA-N 1 0 294.355 -0.272 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001272399382 827792140 /nfs/dbraw/zinc/79/21/40/827792140.db2.gz XNMMIYGFAOIIKM-MNOVXSKESA-N 1 0 267.333 -0.518 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC)n1 ZINC001272406774 827792829 /nfs/dbraw/zinc/79/28/29/827792829.db2.gz PQVIIXWFCPIJTI-JTQLQIEISA-N 1 0 265.317 -0.998 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)/C=C(\C)CC ZINC001272406266 827793256 /nfs/dbraw/zinc/79/32/56/827793256.db2.gz HQYRZKPOZMWAKH-UAIPSJAGSA-N 1 0 295.383 -0.453 20 30 CBEDRO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001272406646 827793434 /nfs/dbraw/zinc/79/34/34/827793434.db2.gz NXAKTGVHGKGLLX-CHWSQXEVSA-N 1 0 297.399 -0.373 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272414140 827794374 /nfs/dbraw/zinc/79/43/74/827794374.db2.gz MBPKRIOXWWLYLW-ZDUSSCGKSA-N 1 0 293.367 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CCOC)c1C ZINC001272413905 827794537 /nfs/dbraw/zinc/79/45/37/827794537.db2.gz JRDUBFYNHKDQEE-GFCCVEGCSA-N 1 0 294.355 -0.849 20 30 CBEDRO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001272413745 827795215 /nfs/dbraw/zinc/79/52/15/827795215.db2.gz IIPBJVYHMDUMEL-CQSZACIVSA-N 1 0 290.367 -0.291 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272420360 827796482 /nfs/dbraw/zinc/79/64/82/827796482.db2.gz LYPNTFRFWFGKLR-RISCZKNCSA-N 1 0 283.372 -0.373 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001272425006 827796578 /nfs/dbraw/zinc/79/65/78/827796578.db2.gz GMBUWGMFDNQPND-SNVBAGLBSA-N 1 0 294.359 -0.868 20 30 CBEDRO CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001272414705 827796611 /nfs/dbraw/zinc/79/66/11/827796611.db2.gz RSAVAVYNSJZTJE-CYBMUJFWSA-N 1 0 292.383 -0.001 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1(COC)CCOCC1 ZINC001272435040 827797464 /nfs/dbraw/zinc/79/74/64/827797464.db2.gz NURLWXAMHMNYCH-ZDUSSCGKSA-N 1 0 298.383 -0.480 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001272455868 827800992 /nfs/dbraw/zinc/80/09/92/827800992.db2.gz YQBFUIFIHJSVOJ-GFCCVEGCSA-N 1 0 272.308 -0.352 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CCF)c1 ZINC001272462687 827802252 /nfs/dbraw/zinc/80/22/52/827802252.db2.gz YAJCXNZMJIJGKC-GFCCVEGCSA-N 1 0 282.319 -0.444 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001272458074 827802276 /nfs/dbraw/zinc/80/22/76/827802276.db2.gz UMIULIVADDYDPH-QWHCGFSZSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001272458072 827802678 /nfs/dbraw/zinc/80/26/78/827802678.db2.gz UMIULIVADDYDPH-CHWSQXEVSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001272465191 827803331 /nfs/dbraw/zinc/80/33/31/827803331.db2.gz CLUILUHOMXDHPB-CABCVRRESA-N 1 0 293.411 -0.096 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001272471865 827804115 /nfs/dbraw/zinc/80/41/15/827804115.db2.gz WTLGEEMGYQPRSZ-SNVBAGLBSA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](NC(C)=O)C1CCCC1 ZINC001272469462 827804450 /nfs/dbraw/zinc/80/44/50/827804450.db2.gz IXECEWBDRZQZTQ-UONOGXRCSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001272485826 827806020 /nfs/dbraw/zinc/80/60/20/827806020.db2.gz LOCZCTUMZUWOCC-CHWSQXEVSA-N 1 0 298.408 -0.118 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1nccn1C ZINC001272480088 827806507 /nfs/dbraw/zinc/80/65/07/827806507.db2.gz ZIOZAUQBLORCNX-GFCCVEGCSA-N 1 0 278.356 -0.557 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001272513807 827811349 /nfs/dbraw/zinc/81/13/49/827811349.db2.gz RJLDMXDRMVNRIS-NWDGAFQWSA-N 1 0 295.383 -0.312 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]C[C@H](O)COC)C1 ZINC001272521214 827811948 /nfs/dbraw/zinc/81/19/48/827811948.db2.gz OGAGZNOJVIFPTQ-RYUDHWBXSA-N 1 0 286.372 -0.583 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ocnc1C(F)F ZINC001272522196 827814492 /nfs/dbraw/zinc/81/44/92/827814492.db2.gz WTMVKMFBDUVGOO-SSDOTTSWSA-N 1 0 273.239 -0.074 20 30 CBEDRO C#CCN1CC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1=O ZINC001272535288 827814895 /nfs/dbraw/zinc/81/48/95/827814895.db2.gz XZOZBORTIOCVCX-AWEZNQCLSA-N 1 0 263.341 -0.368 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001272536772 827817166 /nfs/dbraw/zinc/81/71/66/827817166.db2.gz LCBKMVDJPPPLKN-ZIAGYGMSSA-N 1 0 295.383 -0.453 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1nnnc1C(C)C ZINC001272537670 827818043 /nfs/dbraw/zinc/81/80/43/827818043.db2.gz VOOQLVGMSVNQFH-SNVBAGLBSA-N 1 0 282.348 -0.951 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001272545714 827818896 /nfs/dbraw/zinc/81/88/96/827818896.db2.gz OZXORXJINHDNTH-QMMMGPOBSA-N 1 0 283.353 -0.287 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001272555257 827820050 /nfs/dbraw/zinc/82/00/50/827820050.db2.gz ZVMXDWSMMVETJR-JTQLQIEISA-N 1 0 263.297 -0.135 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001272554290 827821041 /nfs/dbraw/zinc/82/10/41/827821041.db2.gz UFCHDOKETIAVJE-LBPRGKRZSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001272566107 827822213 /nfs/dbraw/zinc/82/22/13/827822213.db2.gz SASZBPAWOPKUSI-XQQFMLRXSA-N 1 0 295.383 -0.109 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001272565606 827822964 /nfs/dbraw/zinc/82/29/64/827822964.db2.gz NRJWYZOZYZNFPM-UTUOFQBUSA-N 1 0 263.341 -0.431 20 30 CBEDRO C=CCn1cc(C(=O)N2CC[C@H](CC[NH2+]CCO)C2)nn1 ZINC001272581479 827823943 /nfs/dbraw/zinc/82/39/43/827823943.db2.gz HOYPYFNTKPBCRL-LBPRGKRZSA-N 1 0 293.371 -0.102 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272576100 827824583 /nfs/dbraw/zinc/82/45/83/827824583.db2.gz VOAJHGKZFFLQLQ-LLVKDONJSA-N 1 0 283.372 -0.761 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001272591788 827825785 /nfs/dbraw/zinc/82/57/85/827825785.db2.gz JISWTMQXZXEFAN-SNVBAGLBSA-N 1 0 278.312 -0.953 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)CC(C)(C)C ZINC001272584925 827825981 /nfs/dbraw/zinc/82/59/81/827825981.db2.gz RMNZLRVDVFHLAP-GFCCVEGCSA-N 1 0 297.399 -0.371 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001272583144 827826565 /nfs/dbraw/zinc/82/65/65/827826565.db2.gz FYMPPBRBULRBNG-CHWSQXEVSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C(F)F ZINC001272598929 827827596 /nfs/dbraw/zinc/82/75/96/827827596.db2.gz BMKUSFDUTYOYKT-MRVPVSSYSA-N 1 0 261.272 -0.515 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)CS(=O)(=O)CC)C1 ZINC001272654632 827828796 /nfs/dbraw/zinc/82/87/96/827828796.db2.gz ZBWRPUKAKFOJDZ-LBPRGKRZSA-N 1 0 286.397 -0.118 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CSCC#N ZINC001272657606 827830815 /nfs/dbraw/zinc/83/08/15/827830815.db2.gz NVTKKGVLPKQIRE-NXEZZACHSA-N 1 0 286.401 -0.138 20 30 CBEDRO CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001272687705 827834082 /nfs/dbraw/zinc/83/40/82/827834082.db2.gz BPFRDCMPSRWEFP-NXEZZACHSA-N 1 0 254.334 -0.233 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001272747392 827837794 /nfs/dbraw/zinc/83/77/94/827837794.db2.gz LANPZARHSQGVQB-JOYOIKCWSA-N 1 0 257.334 -0.717 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001272774868 827839471 /nfs/dbraw/zinc/83/94/71/827839471.db2.gz ZUMFEBNSVHSWGT-VHSXEESVSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001272865109 827845911 /nfs/dbraw/zinc/84/59/11/827845911.db2.gz JOJJYUXMLASUHU-NXEZZACHSA-N 1 0 260.359 -0.463 20 30 CBEDRO C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]1C#N)C2 ZINC001272886001 827847713 /nfs/dbraw/zinc/84/77/13/827847713.db2.gz FJFINPFPFUXUTA-VXGBXAGGSA-N 1 0 262.357 -0.148 20 30 CBEDRO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C#N)C[C@]2(CCCC(=O)N2)C1 ZINC001272886290 827847734 /nfs/dbraw/zinc/84/77/34/827847734.db2.gz JBQVLNZAKCAEHL-JMSVASOKSA-N 1 0 290.367 -0.041 20 30 CBEDRO C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C#N)C[C@H](C1)O2 ZINC001272886819 827848932 /nfs/dbraw/zinc/84/89/32/827848932.db2.gz WMLLLCRGWUVAHP-YIYPIFLZSA-N 1 0 292.383 -0.381 20 30 CBEDRO COCC#CC(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001272954315 827851481 /nfs/dbraw/zinc/85/14/81/827851481.db2.gz BEPXECVNVBXWMR-UHFFFAOYSA-N 1 0 265.357 -0.658 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001272966983 827853515 /nfs/dbraw/zinc/85/35/15/827853515.db2.gz LOTHLSOHEUIJDH-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCN1C(=O)COCC12C[NH+](C[C@H]1CCCOC1)C2 ZINC001273033299 827857724 /nfs/dbraw/zinc/85/77/24/827857724.db2.gz GPPFBPXSSVYOSA-CYBMUJFWSA-N 1 0 278.352 -0.041 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(=O)n(CC)n1 ZINC001273076730 827862742 /nfs/dbraw/zinc/86/27/42/827862742.db2.gz YANCDMINTRJYOB-LLVKDONJSA-N 1 0 276.340 -0.006 20 30 CBEDRO C#CCN1C[C@]2(CC1=O)COCCN(CC[NH+](C)C)C2 ZINC001273107779 827865487 /nfs/dbraw/zinc/86/54/87/827865487.db2.gz FDVWCMDRKOGPIC-OAHLLOKOSA-N 1 0 279.384 -0.268 20 30 CBEDRO C=CCN1C(=O)COCC12CN(CC[NH+](C)C)C2 ZINC001273107573 827865618 /nfs/dbraw/zinc/86/56/18/827865618.db2.gz BUUROONJHMOLNC-UHFFFAOYSA-N 1 0 253.346 -0.353 20 30 CBEDRO C[NH+](C)CCN1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273108588 827865716 /nfs/dbraw/zinc/86/57/16/827865716.db2.gz VONVPBDQJLFBQY-UHFFFAOYSA-N 1 0 280.372 -0.235 20 30 CBEDRO C=CC[NH2+]C1(CNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001273133228 827869319 /nfs/dbraw/zinc/86/93/19/827869319.db2.gz DYVBLLLEPKARJM-JTQLQIEISA-N 1 0 251.330 -0.063 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)CN2C(=O)CNC2=O)CCC1 ZINC001273195222 827871426 /nfs/dbraw/zinc/87/14/26/827871426.db2.gz OJZFLBUCXGULAL-UHFFFAOYSA-N 1 0 292.339 -0.810 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001273204859 827873356 /nfs/dbraw/zinc/87/33/56/827873356.db2.gz NOBGJZCCFBSSDE-SNVBAGLBSA-N 1 0 264.329 -0.545 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC)CCO1 ZINC001273218225 827875154 /nfs/dbraw/zinc/87/51/54/827875154.db2.gz SCDWPKANHZJELW-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001273227118 827875856 /nfs/dbraw/zinc/87/58/56/827875856.db2.gz SOUHEBZCPRCEQP-GFCCVEGCSA-N 1 0 293.323 -0.245 20 30 CBEDRO C=CCCC(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001273236867 827877220 /nfs/dbraw/zinc/87/72/20/827877220.db2.gz NFYLVKHLIQQZOA-CHWSQXEVSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273252578 827877878 /nfs/dbraw/zinc/87/78/78/827877878.db2.gz UDGRWOCPQVMNLZ-DGCLKSJQSA-N 1 0 272.345 -0.877 20 30 CBEDRO CC(C)(C)C#CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273260495 827880127 /nfs/dbraw/zinc/88/01/27/827880127.db2.gz KBTAREODEOJFCG-GFCCVEGCSA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CCOCC#C)CCO1 ZINC001273259696 827880268 /nfs/dbraw/zinc/88/02/68/827880268.db2.gz AYANHLCJCQYOLS-CQSZACIVSA-N 1 0 278.352 -0.133 20 30 CBEDRO C#CCN1C[C@@]2(CCN(Cc3ccnnc3)C2)OCC1=O ZINC001273271099 827881963 /nfs/dbraw/zinc/88/19/63/827881963.db2.gz ILJDVTJPCHOOJD-HNNXBMFYSA-N 1 0 286.335 -0.087 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO1 ZINC001273277800 827883482 /nfs/dbraw/zinc/88/34/82/827883482.db2.gz YGDJSHLMPZYTOD-MNOVXSKESA-N 1 0 290.385 -0.578 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CNC(=O)C1CC1 ZINC001273283530 827883749 /nfs/dbraw/zinc/88/37/49/827883749.db2.gz RXCMWKOMZXLOLN-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001273291548 827885152 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C#CC[NH2+]CCC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001277272059 828181704 /nfs/dbraw/zinc/18/17/04/828181704.db2.gz MIOZKHJTWRMQFI-VIFPVBQESA-N 1 0 250.306 -0.669 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001277272057 828181783 /nfs/dbraw/zinc/18/17/83/828181783.db2.gz MIOZKHJTWRMQFI-SECBINFHSA-N 1 0 250.306 -0.669 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001277329636 828183910 /nfs/dbraw/zinc/18/39/10/828183910.db2.gz UVVBOVNTDYIMOR-LLVKDONJSA-N 1 0 264.333 -0.429 20 30 CBEDRO CC(C)C#CC(=O)NCCOCC[N@H+](C)[C@@H](C)C(N)=O ZINC001277488265 828189470 /nfs/dbraw/zinc/18/94/70/828189470.db2.gz ZPEAUMIEYYXFPQ-LBPRGKRZSA-N 1 0 283.372 -0.416 20 30 CBEDRO C=CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001277501718 828190481 /nfs/dbraw/zinc/19/04/81/828190481.db2.gz VKSAMIUPKUSGSK-LBPRGKRZSA-N 1 0 283.372 -0.237 20 30 CBEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 ZINC001277503075 828191806 /nfs/dbraw/zinc/19/18/06/828191806.db2.gz WIDOZMAQSSHJFS-AWEZNQCLSA-N 1 0 263.341 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C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001278025419 828231435 /nfs/dbraw/zinc/23/14/35/828231435.db2.gz NMMRRBULLLJLBS-RYUDHWBXSA-N 1 0 275.356 -0.090 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc(C)o1 ZINC001278041183 828235860 /nfs/dbraw/zinc/23/58/60/828235860.db2.gz JPKPAUBELYFDMI-NSHDSACASA-N 1 0 293.323 -0.982 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1cncs1 ZINC001278047908 828236431 /nfs/dbraw/zinc/23/64/31/828236431.db2.gz JNRNKMOWPGKGDT-VIFPVBQESA-N 1 0 298.368 -0.874 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnsn1 ZINC001278047952 828236973 /nfs/dbraw/zinc/23/69/73/828236973.db2.gz JSNOVVMFNVVPGP-QMMMGPOBSA-N 1 0 254.315 -0.758 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C)n[nH]1 ZINC001278047213 828237312 /nfs/dbraw/zinc/23/73/12/828237312.db2.gz AGGZXEXQMQLCSA-SNVBAGLBSA-N 1 0 250.302 -0.578 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1C ZINC001278054293 828239805 /nfs/dbraw/zinc/23/98/05/828239805.db2.gz PVJPOUAFFFWHIA-JTQLQIEISA-N 1 0 252.318 -0.405 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001278053827 828240112 /nfs/dbraw/zinc/24/01/12/828240112.db2.gz KVDDAHOIUIWQPX-NEPJUHHUSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278069529 828241275 /nfs/dbraw/zinc/24/12/75/828241275.db2.gz AZOBQAKAIOOPBA-GFCCVEGCSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001278071014 828241396 /nfs/dbraw/zinc/24/13/96/828241396.db2.gz LVBBHPIZCSUHDC-SNVBAGLBSA-N 1 0 266.301 -0.989 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nn(C)cc1C ZINC001278076684 828242010 /nfs/dbraw/zinc/24/20/10/828242010.db2.gz ABYWDLTXTVVLPW-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](CO)[NH2+]CCOCC1CC1 ZINC001278077568 828242080 /nfs/dbraw/zinc/24/20/80/828242080.db2.gz LFMUNHWHLLBDCS-CQSZACIVSA-N 1 0 280.368 -0.107 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]CCOCC1CC1 ZINC001278077567 828242317 /nfs/dbraw/zinc/24/23/17/828242317.db2.gz LFMUNHWHLLBDCS-AWEZNQCLSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001278077265 828242609 /nfs/dbraw/zinc/24/26/09/828242609.db2.gz HKRTXHDXPAUZND-WCQYABFASA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001278093420 828245163 /nfs/dbraw/zinc/24/51/63/828245163.db2.gz KHIDTCMRBUDUSE-SNVBAGLBSA-N 1 0 288.311 -0.944 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001278094609 828245227 /nfs/dbraw/zinc/24/52/27/828245227.db2.gz YFYJNBRPBFLOME-LLVKDONJSA-N 1 0 250.302 -0.958 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001278093458 828245469 /nfs/dbraw/zinc/24/54/69/828245469.db2.gz KXCDFPSVZHRISH-WDEREUQCSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001278099032 828246240 /nfs/dbraw/zinc/24/62/40/828246240.db2.gz BRXOLFPIBUWMLE-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001278099189 828246256 /nfs/dbraw/zinc/24/62/56/828246256.db2.gz FTFKTNPEAPQNCI-NWDGAFQWSA-N 1 0 283.372 -0.312 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001278100127 828247516 /nfs/dbraw/zinc/24/75/16/828247516.db2.gz UJDCEYOSVTUXTL-JTQLQIEISA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc2ncn(C)c21 ZINC001278105951 828247597 /nfs/dbraw/zinc/24/75/97/828247597.db2.gz QENDDHWEEWEUFW-LLVKDONJSA-N 1 0 286.335 -0.113 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001278104974 828248143 /nfs/dbraw/zinc/24/81/43/828248143.db2.gz CQTBIILXRHPJMU-RYUDHWBXSA-N 1 0 278.356 -0.302 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C1(C2CC2)CC1 ZINC001278099451 828248153 /nfs/dbraw/zinc/24/81/53/828248153.db2.gz LCJJMPANYHYKSS-CYBMUJFWSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001278113598 828249563 /nfs/dbraw/zinc/24/95/63/828249563.db2.gz YVEVTXWNJAUHJL-SNVBAGLBSA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)nn(C)c1C ZINC001278119090 828249981 /nfs/dbraw/zinc/24/99/81/828249981.db2.gz HGSHYRYAAOASDI-GFCCVEGCSA-N 1 0 278.356 -0.721 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001278127570 828250870 /nfs/dbraw/zinc/25/08/70/828250870.db2.gz ASAUAPYGSJGBMN-SECBINFHSA-N 1 0 253.306 -0.630 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001278147031 828251425 /nfs/dbraw/zinc/25/14/25/828251425.db2.gz JSGQCYNUUCGLOU-GWCFXTLKSA-N 1 0 271.361 -0.599 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001278147032 828251479 /nfs/dbraw/zinc/25/14/79/828251479.db2.gz JSGQCYNUUCGLOU-GXFFZTMASA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1(CC)CC1 ZINC001278147717 828252956 /nfs/dbraw/zinc/25/29/56/828252956.db2.gz NEBJTNJRMNSJNF-NWDGAFQWSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1(CC)CC1 ZINC001278147719 828253373 /nfs/dbraw/zinc/25/33/73/828253373.db2.gz 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C[C@]1(C#N)CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCO1 ZINC001342987895 889852190 /nfs/dbraw/zinc/85/21/90/889852190.db2.gz FAXXSAXXHJZROL-QWHCGFSZSA-N 1 0 267.329 -0.368 20 30 CBEDRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001444304436 912418524 /nfs/dbraw/zinc/41/85/24/912418524.db2.gz YITLPTKAFBATKK-RKDXNWHRSA-N 1 0 277.328 -0.284 20 30 CBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+][C@@H](C)C(N)=O ZINC001444304428 912419892 /nfs/dbraw/zinc/41/98/92/912419892.db2.gz YITLPTKAFBATKK-BDAKNGLRSA-N 1 0 277.328 -0.284 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001444495879 912458009 /nfs/dbraw/zinc/45/80/09/912458009.db2.gz BBXJBEHQPIDUTC-SECBINFHSA-N 1 0 295.343 -0.640 20 30 CBEDRO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001444583666 912473627 /nfs/dbraw/zinc/47/36/27/912473627.db2.gz LVHZIDIKABKUNC-IUCAKERBSA-N 1 0 277.328 -0.190 20 30 CBEDRO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001444583663 912474702 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CBEDRO N#CCCN1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC001331423023 886800694 /nfs/dbraw/zinc/80/06/94/886800694.db2.gz HYKZUMSLHWJDAZ-UHFFFAOYSA-N 1 0 251.334 -0.553 20 30 CBEDRO CCn1ncc(C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)n1 ZINC001331443194 886809560 /nfs/dbraw/zinc/80/95/60/886809560.db2.gz RITJMVBUCDSOIK-GFCCVEGCSA-N 1 0 293.371 -0.002 20 30 CBEDRO C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001331449980 886810053 /nfs/dbraw/zinc/81/00/53/886810053.db2.gz RHPPLKOCTDOJHA-PWSUYJOCSA-N 1 0 284.381 -0.461 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001331486829 886820918 /nfs/dbraw/zinc/82/09/18/886820918.db2.gz HJJZCZYDRNAJBN-LBPRGKRZSA-N 1 0 280.372 -0.993 20 30 CBEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001331489740 886823556 /nfs/dbraw/zinc/82/35/56/886823556.db2.gz DOUMNRSLKLGPCU-CYBMUJFWSA-N 1 0 296.415 -0.227 20 30 CBEDRO CO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)C(C)C ZINC001331547936 886840612 /nfs/dbraw/zinc/84/06/12/886840612.db2.gz PYKKVVNFMPLSGW-AAEUAGOBSA-N 1 0 298.387 -0.266 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331559348 886842976 /nfs/dbraw/zinc/84/29/76/886842976.db2.gz DUQQWONQVZMKCP-GRYCIOLGSA-N 1 0 281.356 -0.521 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001331563136 886849042 /nfs/dbraw/zinc/84/90/42/886849042.db2.gz COIBRMDILCIGQZ-VHSXEESVSA-N 1 0 277.390 -0.453 20 30 CBEDRO C=C(CC)CNC(=O)C(=O)NCCOCCC[NH3+] ZINC001331574165 886852365 /nfs/dbraw/zinc/85/23/65/886852365.db2.gz SQQTXGXOXTZYLN-UHFFFAOYSA-N 1 0 257.334 -0.450 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001331581486 886854103 /nfs/dbraw/zinc/85/41/03/886854103.db2.gz CPPGAXBEOKZWFE-SECBINFHSA-N 1 0 257.359 -0.725 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331603994 886860726 /nfs/dbraw/zinc/86/07/26/886860726.db2.gz LZEPTEOGTDFUQY-LLVKDONJSA-N 1 0 251.330 -0.144 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001331614646 886867275 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ZINC001331682429 886906048 /nfs/dbraw/zinc/90/60/48/886906048.db2.gz IICOGQTYBKUFIT-WDEREUQCSA-N 1 0 269.345 -0.218 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1C ZINC001331685956 886908165 /nfs/dbraw/zinc/90/81/65/886908165.db2.gz TZFSBWDSJDVPLO-NSHDSACASA-N 1 0 266.345 -0.015 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001331698193 886916470 /nfs/dbraw/zinc/91/64/70/886916470.db2.gz VGBHOMKJLOCDFY-UWVGGRQHSA-N 1 0 256.302 -0.808 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1C ZINC001331712090 886928578 /nfs/dbraw/zinc/92/85/78/886928578.db2.gz LSIZSYLOTSGVGX-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001331713109 886929849 /nfs/dbraw/zinc/92/98/49/886929849.db2.gz WGXCXMCUWWJJFJ-NWDGAFQWSA-N 1 0 290.367 -0.080 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccnn1C1CCC1 ZINC001331713155 886930621 /nfs/dbraw/zinc/93/06/21/886930621.db2.gz WQTOPPSWCZJNOW-LLVKDONJSA-N 1 0 276.340 -0.078 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1CCC2 ZINC001331738465 886946981 /nfs/dbraw/zinc/94/69/81/886946981.db2.gz BRFARGZJEHSHCY-VIFPVBQESA-N 1 0 262.313 -0.788 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1csc(NC(C)=O)n1 ZINC001331740036 886948953 /nfs/dbraw/zinc/94/89/53/886948953.db2.gz OBJUSUWTLPCDTC-SECBINFHSA-N 1 0 298.368 -0.032 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001331755455 886958358 /nfs/dbraw/zinc/95/83/58/886958358.db2.gz CHWYPSQPJZWQDF-STQMWFEESA-N 1 0 294.355 -0.802 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1ccon1 ZINC001331757141 886958565 /nfs/dbraw/zinc/95/85/65/886958565.db2.gz JJHKYWCKCDFUDV-CYBMUJFWSA-N 1 0 295.339 -0.676 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)COC ZINC001331759974 886962503 /nfs/dbraw/zinc/96/25/03/886962503.db2.gz QWDCOERLVWJESY-NSHDSACASA-N 1 0 256.346 -0.251 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001331770032 886967333 /nfs/dbraw/zinc/96/73/33/886967333.db2.gz FJUCVJNTBLGXDN-IUODEOHRSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001331772970 886970825 /nfs/dbraw/zinc/97/08/25/886970825.db2.gz BFQMYEZNEJHGBW-WCQYABFASA-N 1 0 290.367 -0.775 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001331786318 886978567 /nfs/dbraw/zinc/97/85/67/886978567.db2.gz BPZOIEHANMZUJK-MFKMUULPSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001331791147 886984802 /nfs/dbraw/zinc/98/48/02/886984802.db2.gz UGYSCVWDNDOBSE-MCIONIFRSA-N 1 0 296.367 -0.706 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2cccnn21 ZINC001331803505 886988629 /nfs/dbraw/zinc/98/86/29/886988629.db2.gz HNYCUWCVVDAXSE-LLVKDONJSA-N 1 0 272.308 -0.352 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001331804205 886988941 /nfs/dbraw/zinc/98/89/41/886988941.db2.gz HRMRPSVZGMGKEJ-OCCSQVGLSA-N 1 0 292.383 -0.311 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cnc(OC)nc1 ZINC001331805572 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20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC001333172151 887552219 /nfs/dbraw/zinc/55/22/19/887552219.db2.gz VLPVXZPHELVYMP-ZJUUUORDSA-N 1 0 250.302 -0.692 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)c1nnn(C)c1C ZINC001333204951 887561112 /nfs/dbraw/zinc/56/11/12/887561112.db2.gz WQDGTENRSWSWCN-UHFFFAOYSA-N 1 0 293.371 -0.175 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)c1nnn(C)c1C ZINC001333204212 887562260 /nfs/dbraw/zinc/56/22/60/887562260.db2.gz SNEBBIUXVUBCGH-UHFFFAOYSA-N 1 0 279.344 -0.565 20 30 CBEDRO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)C#CC1CC1 ZINC001333217924 887565268 /nfs/dbraw/zinc/56/52/68/887565268.db2.gz LTIIYEIBKSFITF-CYBMUJFWSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCN2C)C1 ZINC001333270892 887579859 /nfs/dbraw/zinc/57/98/59/887579859.db2.gz NNTMHRPQBAZKQX-VXGBXAGGSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC001333487356 887660253 /nfs/dbraw/zinc/66/02/53/887660253.db2.gz GEBAVZUILTWQQV-NWDGAFQWSA-N 1 0 284.381 -0.508 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC001333498974 887665692 /nfs/dbraw/zinc/66/56/92/887665692.db2.gz XUHIHDNSFLAKBP-JTQLQIEISA-N 1 0 257.334 -0.595 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC001333515329 887670707 /nfs/dbraw/zinc/67/07/07/887670707.db2.gz ANNQZPSKZDLYSN-VIFPVBQESA-N 1 0 292.343 -0.232 20 30 CBEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC001333515328 887670820 /nfs/dbraw/zinc/67/08/20/887670820.db2.gz ANNQZPSKZDLYSN-SECBINFHSA-N 1 0 292.343 -0.232 20 30 CBEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001333609807 887716340 /nfs/dbraw/zinc/71/63/40/887716340.db2.gz BOAAGDDMPUGEFF-IUODEOHRSA-N 1 0 295.383 -0.134 20 30 CBEDRO C=C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001333609834 887717325 /nfs/dbraw/zinc/71/73/25/887717325.db2.gz BOAAGDDMPUGEFF-SWLSCSKDSA-N 1 0 295.383 -0.134 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333751072 887760011 /nfs/dbraw/zinc/76/00/11/887760011.db2.gz KBJZZOPLQWDWCH-VHSXEESVSA-N 1 0 260.359 -0.299 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC001333859869 887790710 /nfs/dbraw/zinc/79/07/10/887790710.db2.gz YJHSOCKPVYLYAI-NSHDSACASA-N 1 0 286.339 -0.075 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333958661 887818886 /nfs/dbraw/zinc/81/88/86/887818886.db2.gz FTVFJECOENRPOW-UHFFFAOYSA-N 1 0 271.386 -0.287 20 30 CBEDRO Cc1nc(C(=O)NCC[N@H+](C)CCO)ccc1C#N ZINC001333986070 887832494 /nfs/dbraw/zinc/83/24/94/887832494.db2.gz YCYUBLGVFJFMOG-UHFFFAOYSA-N 1 0 262.313 -0.084 20 30 CBEDRO C=C(Br)CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001334005081 887840197 /nfs/dbraw/zinc/84/01/97/887840197.db2.gz KPUUUSGIVNIOQD-ZKCHVHJHSA-N 1 0 290.161 -0.135 20 30 CBEDRO C#CC1(O)CC[NH+](CC(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001334375860 887939801 /nfs/dbraw/zinc/93/98/01/887939801.db2.gz KJXZMOGUNYTBOG-UHFFFAOYSA-N 1 0 293.367 -0.830 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001334405454 887953833 /nfs/dbraw/zinc/95/38/33/887953833.db2.gz FEGGYCBZAZKZLS-VXGBXAGGSA-N 1 0 279.340 -0.956 20 30 CBEDRO N#CC[C@@H](O)CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001334574160 888268170 /nfs/dbraw/zinc/26/81/70/888268170.db2.gz RDBMAKAWQADWPD-FRRDWIJNSA-N 1 0 253.346 -0.208 20 30 CBEDRO Cn1nnnc1CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001334778901 888322935 /nfs/dbraw/zinc/32/29/35/888322935.db2.gz ZKEKFVRJDSWGDQ-SNVBAGLBSA-N 1 0 264.333 -0.213 20 30 CBEDRO CN(CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001334778727 888323694 /nfs/dbraw/zinc/32/36/94/888323694.db2.gz YMTRWHITDIWWOC-ZDUSSCGKSA-N 1 0 285.388 -0.429 20 30 CBEDRO N#C[C@@H](CO)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC001334979286 888375954 /nfs/dbraw/zinc/37/59/54/888375954.db2.gz DSKWLHURCWNESA-CPCZMJQVSA-N 1 0 281.356 -0.122 20 30 CBEDRO C=C1CCC(CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC001335203409 888444771 /nfs/dbraw/zinc/44/47/71/888444771.db2.gz AJXDFOZQGDMIAC-UHFFFAOYSA-N 1 0 251.330 -0.063 20 30 CBEDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCC1(CC#N)CC1 ZINC001335206551 888448044 /nfs/dbraw/zinc/44/80/44/888448044.db2.gz KTPJHANHGAYCDW-SNVBAGLBSA-N 1 0 278.356 -0.089 20 30 CBEDRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1[NH3+] ZINC001335218335 888453144 /nfs/dbraw/zinc/45/31/44/888453144.db2.gz WMSXIQNZUXMQKI-HBNTYKKESA-N 1 0 278.356 -0.009 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001335222426 888455455 /nfs/dbraw/zinc/45/54/55/888455455.db2.gz MPHUFUMCFDFBFF-LLVKDONJSA-N 1 0 283.397 -0.334 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001335231962 888458350 /nfs/dbraw/zinc/45/83/50/888458350.db2.gz ZETGOOYEXAYIRK-LLVKDONJSA-N 1 0 295.408 -0.130 20 30 CBEDRO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001335235547 888460434 /nfs/dbraw/zinc/46/04/34/888460434.db2.gz YEGWNQBHEZLIBK-JTQLQIEISA-N 1 0 252.318 -0.526 20 30 CBEDRO C[C@H]1CN(C(=O)C(=O)NCc2nc(C#N)cs2)CC[NH2+]1 ZINC001335254470 888471583 /nfs/dbraw/zinc/47/15/83/888471583.db2.gz SDLGAWOJPIGBHP-QMMMGPOBSA-N 1 0 293.352 -0.549 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001335261858 888473493 /nfs/dbraw/zinc/47/34/93/888473493.db2.gz JQHWSNFQAQFXSZ-WOPDTQHZSA-N 1 0 294.355 -0.819 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001335261855 888473845 /nfs/dbraw/zinc/47/38/45/888473845.db2.gz JQHWSNFQAQFXSZ-GRYCIOLGSA-N 1 0 294.355 -0.819 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001335260849 888474239 /nfs/dbraw/zinc/47/42/39/888474239.db2.gz CJVFGHSDINKTLT-WDMOLILDSA-N 1 0 294.330 -0.482 20 30 CBEDRO CC1(C#N)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001335279148 888481623 /nfs/dbraw/zinc/48/16/23/888481623.db2.gz UMMMQRUQFYJWES-UHFFFAOYSA-N 1 0 296.371 -0.380 20 30 CBEDRO CC1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001335282926 888483599 /nfs/dbraw/zinc/48/35/99/888483599.db2.gz KOIFLTDTLQEBFG-SNVBAGLBSA-N 1 0 264.329 -0.383 20 30 CBEDRO N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCO1 ZINC001335291379 888485717 /nfs/dbraw/zinc/48/57/17/888485717.db2.gz GOQBTFRQIASDDI-NEPJUHHUSA-N 1 0 294.355 -0.614 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCCNC1=O ZINC001335350694 888510956 /nfs/dbraw/zinc/51/09/56/888510956.db2.gz HNKZJHPEYXCVBX-RYUDHWBXSA-N 1 0 268.361 -0.549 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC001335379027 888520103 /nfs/dbraw/zinc/52/01/03/888520103.db2.gz LDIDFHGOGCQVNZ-WDEREUQCSA-N 1 0 269.345 -0.405 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(C=O)CC1 ZINC001335390623 888522992 /nfs/dbraw/zinc/52/29/92/888522992.db2.gz LATFZJGOZUDJSY-UHFFFAOYSA-N 1 0 260.359 -0.202 20 30 CBEDRO C=CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC001335390074 888523689 /nfs/dbraw/zinc/52/36/89/888523689.db2.gz BRKGVEWADTUMEN-WDEREUQCSA-N 1 0 251.330 -0.029 20 30 CBEDRO CN(C)C(=O)NCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001335424727 888533023 /nfs/dbraw/zinc/53/30/23/888533023.db2.gz APXGXAFVTIBQEG-GFCCVEGCSA-N 1 0 298.387 -0.081 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001335758797 888621734 /nfs/dbraw/zinc/62/17/34/888621734.db2.gz MTKBPQIUXWOKLJ-OAHLLOKOSA-N 1 0 293.367 -0.503 20 30 CBEDRO C=CC[C@@H](CC)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001335758622 888622187 /nfs/dbraw/zinc/62/21/87/888622187.db2.gz LOSSYNLTIVJMEM-RISCZKNCSA-N 1 0 283.372 -0.231 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335761218 888623701 /nfs/dbraw/zinc/62/37/01/888623701.db2.gz ZCGRTJJZHSFRJN-HBNTYKKESA-N 1 0 281.381 -0.522 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001335935312 888657982 /nfs/dbraw/zinc/65/79/82/888657982.db2.gz VUIROPTYOZXKKU-LLVKDONJSA-N 1 0 254.334 -0.939 20 30 CBEDRO C#CCN(C(=O)C(=O)N(C)CC1C[NH+](C)C1)C(C)C ZINC001336495054 888777522 /nfs/dbraw/zinc/77/75/22/888777522.db2.gz DKOUBMWVXHBHKN-UHFFFAOYSA-N 1 0 265.357 -0.123 20 30 CBEDRO C#CCN(C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C(C)C ZINC001336500110 888780606 /nfs/dbraw/zinc/78/06/06/888780606.db2.gz BQJBLNYQIVYDET-ZDUSSCGKSA-N 1 0 297.399 -0.061 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001336643836 888826670 /nfs/dbraw/zinc/82/66/70/888826670.db2.gz CAFBTROLSVLSMI-GRYCIOLGSA-N 1 0 278.356 -0.008 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC001336643838 888828310 /nfs/dbraw/zinc/82/83/10/888828310.db2.gz CAFBTROLSVLSMI-SRVKXCTJSA-N 1 0 278.356 -0.008 20 30 CBEDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1nc(C#N)cs1 ZINC001336650710 888832442 /nfs/dbraw/zinc/83/24/42/888832442.db2.gz SWBNTXWJNNIKIR-UHFFFAOYSA-N 1 0 295.368 -0.301 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+]CCN2CCOCC2)CC1 ZINC001336728148 888858551 /nfs/dbraw/zinc/85/85/51/888858551.db2.gz NZDKYQOUBKRRQD-GFCCVEGCSA-N 1 0 253.346 -0.037 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](C)CCS(C)(=O)=O ZINC001336795170 888883995 /nfs/dbraw/zinc/88/39/95/888883995.db2.gz SIVGPKZNTXKCSF-SNVBAGLBSA-N 1 0 260.359 -0.461 20 30 CBEDRO C[C@@H](C#N)OCCn1cc(CN(C)CCC[NH3+])nn1 ZINC001336898252 888913417 /nfs/dbraw/zinc/91/34/17/888913417.db2.gz UVIFMSAEPHNZMC-NSHDSACASA-N 1 0 266.349 -0.013 20 30 CBEDRO C=CCC[C@@H](O)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC001336899386 888913875 /nfs/dbraw/zinc/91/38/75/888913875.db2.gz ZEKHTWLZYIYMAT-NWDGAFQWSA-N 1 0 254.334 -0.143 20 30 CBEDRO C=CC[C@H](CO)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001336941479 888927672 /nfs/dbraw/zinc/92/76/72/888927672.db2.gz LCDVFFLSVPLAKH-GFCCVEGCSA-N 1 0 270.377 -0.354 20 30 CBEDRO COCC(=O)N(C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001337130503 888966745 /nfs/dbraw/zinc/96/67/45/888966745.db2.gz IIXABCJGSNBNHW-UHFFFAOYSA-N 1 0 282.344 -0.805 20 30 CBEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC001337500955 889023904 /nfs/dbraw/zinc/02/39/04/889023904.db2.gz RJDFMWZLVFAKRU-ZIAGYGMSSA-N 1 0 298.346 -0.380 20 30 CBEDRO C[C@@]1(C#N)CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001337511031 889024999 /nfs/dbraw/zinc/02/49/99/889024999.db2.gz 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890410201 /nfs/dbraw/zinc/41/02/01/890410201.db2.gz UNYIYTZQZHRBOZ-KGLIPLIRSA-N 1 0 276.384 -0.848 20 30 CBEDRO C#CC[C@H](CCOC)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347139612 890412237 /nfs/dbraw/zinc/41/22/37/890412237.db2.gz KDDVTKWFPPXFSP-MGPQQGTHSA-N 1 0 279.384 -0.081 20 30 CBEDRO C#CC1(O)CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001347342406 890449399 /nfs/dbraw/zinc/44/93/99/890449399.db2.gz IWDYOWMDRSHFRD-CHWSQXEVSA-N 1 0 277.368 -0.639 20 30 CBEDRO C#CC1(O)CN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001347609880 890488510 /nfs/dbraw/zinc/48/85/10/890488510.db2.gz YIOUCZBEXVZOGY-GFCCVEGCSA-N 1 0 280.372 -0.988 20 30 CBEDRO C=CCOCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347799084 890520701 /nfs/dbraw/zinc/52/07/01/890520701.db2.gz UFTPSASQDFXDEC-VXGBXAGGSA-N 1 0 253.346 -0.307 20 30 CBEDRO C=C(C)C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)OC ZINC001347880686 890531760 /nfs/dbraw/zinc/53/17/60/890531760.db2.gz SQGVRQXYYNSAAD-AVGNSLFASA-N 1 0 295.383 -0.001 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001347932840 890534845 /nfs/dbraw/zinc/53/48/45/890534845.db2.gz XCPBFFJRCJYUBJ-CYBMUJFWSA-N 1 0 254.330 -0.449 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001347932841 890536429 /nfs/dbraw/zinc/53/64/29/890536429.db2.gz XCPBFFJRCJYUBJ-ZDUSSCGKSA-N 1 0 254.330 -0.449 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001348306421 890591138 /nfs/dbraw/zinc/59/11/38/890591138.db2.gz DSAVZVMZXUSHSD-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001348319944 890597023 /nfs/dbraw/zinc/59/70/23/890597023.db2.gz INOIEFFQRAQGID-WDEREUQCSA-N 1 0 267.329 -0.991 20 30 CBEDRO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001348456990 890630349 /nfs/dbraw/zinc/63/03/49/890630349.db2.gz CKLWEDCTBIEMIU-UHFFFAOYSA-N 1 0 298.387 -0.311 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC001348456973 890630430 /nfs/dbraw/zinc/63/04/30/890630430.db2.gz BTBYRZITWHUALO-LLVKDONJSA-N 1 0 251.330 -0.157 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC001348579486 890655809 /nfs/dbraw/zinc/65/58/09/890655809.db2.gz BRBCNKMWNSMOMG-NWDGAFQWSA-N 1 0 281.356 -0.662 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001348662278 890675066 /nfs/dbraw/zinc/67/50/66/890675066.db2.gz ATDAHBXNROCPRP-STQMWFEESA-N 1 0 282.388 -0.694 20 30 CBEDRO C#CC[C@H](CO)NC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001348662272 890675340 /nfs/dbraw/zinc/67/53/40/890675340.db2.gz ATDAHBXNROCPRP-CHWSQXEVSA-N 1 0 282.388 -0.694 20 30 CBEDRO C#CC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C)C(=O)OC ZINC001348728492 890689084 /nfs/dbraw/zinc/68/90/84/890689084.db2.gz UCHKHKAXGRXPLM-WOPDTQHZSA-N 1 0 279.340 -0.944 20 30 CBEDRO C=C(CN(C)C)C(=O)N1CCS(=O)(=O)CCO1 ZINC001348759155 890698943 /nfs/dbraw/zinc/69/89/43/890698943.db2.gz FLSJWDBXNAZZIX-UHFFFAOYSA-N 1 0 262.331 -0.707 20 30 CBEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001348820751 890705808 /nfs/dbraw/zinc/70/58/08/890705808.db2.gz GPRXLPKWEXRTOS-RYUDHWBXSA-N 1 0 259.346 -0.195 20 30 CBEDRO C#C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)C1CCOCC1 ZINC001348878945 890719430 /nfs/dbraw/zinc/71/94/30/890719430.db2.gz GRYOFPPMYLBVKQ-AEGPPILISA-N 1 0 291.395 -0.081 20 30 CBEDRO C#CCOCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001348883171 890719518 /nfs/dbraw/zinc/71/95/18/890719518.db2.gz IFTKBODPFGIPBG-CHWSQXEVSA-N 1 0 265.357 -0.517 20 30 CBEDRO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001348928202 890729414 /nfs/dbraw/zinc/72/94/14/890729414.db2.gz GUNNOKOYFSPMRP-NEPJUHHUSA-N 1 0 294.355 -0.710 20 30 CBEDRO Cc1nn(C)cc1CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001349168928 890771459 /nfs/dbraw/zinc/77/14/59/890771459.db2.gz JWHJSKHGGKETGG-NWDGAFQWSA-N 1 0 261.329 -0.111 20 30 CBEDRO N#Cc1ncn(CC(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC001349656518 890861449 /nfs/dbraw/zinc/86/14/49/890861449.db2.gz PGSHRLRRSVAMTO-JTQLQIEISA-N 1 0 262.317 -0.263 20 30 CBEDRO C#CCn1cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)cn1 ZINC001349744168 890876903 /nfs/dbraw/zinc/87/69/03/890876903.db2.gz LHLHMEXGOWYQCB-GXTWGEPZSA-N 1 0 287.367 -0.479 20 30 CBEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001349809027 890894417 /nfs/dbraw/zinc/89/44/17/890894417.db2.gz UMHAYGMKSVYTGR-JTQLQIEISA-N 1 0 266.345 -0.008 20 30 CBEDRO C=CCn1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nn1 ZINC001349825384 890900219 /nfs/dbraw/zinc/90/02/19/890900219.db2.gz LJAMTXYELNIRSI-WDEREUQCSA-N 1 0 277.328 -0.645 20 30 CBEDRO C#CCOCCC(=O)NCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001350034951 890925563 /nfs/dbraw/zinc/92/55/63/890925563.db2.gz FDJCSBMFCPMBDC-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@H](O)[C@H](CO)C2)CCC1 ZINC001350086841 890933413 /nfs/dbraw/zinc/93/34/13/890933413.db2.gz VJHLORDDEBMISR-SRVKXCTJSA-N 1 0 254.330 -0.284 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)Nc2nnnn2CC)CC1 ZINC001350186392 890943976 /nfs/dbraw/zinc/94/39/76/890943976.db2.gz FSYHMOSQFICWHC-UHFFFAOYSA-N 1 0 262.317 -0.023 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001350346998 890968320 /nfs/dbraw/zinc/96/83/20/890968320.db2.gz ZOWRJEIQPYOFNG-NEPJUHHUSA-N 1 0 283.372 -0.109 20 30 CBEDRO N#CCCNC(=O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001350394397 890976963 /nfs/dbraw/zinc/97/69/63/890976963.db2.gz MLACXHBBYOTWIY-CYBMUJFWSA-N 1 0 280.372 -0.453 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C#N)CCOCC1 ZINC001350404914 890979190 /nfs/dbraw/zinc/97/91/90/890979190.db2.gz GZXDTGFQJJNFMH-QWRGUYRKSA-N 1 0 262.313 -0.075 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C#N)CCOCC1 ZINC001350404913 890980079 /nfs/dbraw/zinc/98/00/79/890980079.db2.gz GZXDTGFQJJNFMH-MNOVXSKESA-N 1 0 262.313 -0.075 20 30 CBEDRO Cn1cnc(CCCNC(=O)C#CC2CC[NH2+]CC2)n1 ZINC001350410903 890981848 /nfs/dbraw/zinc/98/18/48/890981848.db2.gz OTIHDADTJTWHEH-UHFFFAOYSA-N 1 0 275.356 -0.133 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC001350573651 891006564 /nfs/dbraw/zinc/00/65/64/891006564.db2.gz OVQDDCKLBBXDAZ-LLVKDONJSA-N 1 0 271.361 -0.238 20 30 CBEDRO C=CCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001350593470 891012940 /nfs/dbraw/zinc/01/29/40/891012940.db2.gz AZESYIRCWMPWPO-NWDGAFQWSA-N 1 0 265.357 -0.476 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001350728392 891032089 /nfs/dbraw/zinc/03/20/89/891032089.db2.gz MFYMQISFXSEAAG-CYBMUJFWSA-N 1 0 253.346 -0.618 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001449123105 913515990 /nfs/dbraw/zinc/51/59/90/913515990.db2.gz XVECIJAZEWZKDP-JQWIXIFHSA-N 1 0 279.344 -0.511 20 30 CBEDRO C#CCN(C(=O)NC[C@H]1CNC(=O)C1)C1CC[NH+](C)CC1 ZINC001350903067 891064495 /nfs/dbraw/zinc/06/44/95/891064495.db2.gz LZCULXXGKWHHHB-GFCCVEGCSA-N 1 0 292.383 -0.139 20 30 CBEDRO N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1F ZINC001351543978 891151422 /nfs/dbraw/zinc/15/14/22/891151422.db2.gz DLWLXQDPAHSDHK-LLVKDONJSA-N 1 0 290.298 -0.208 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC001351581157 891158425 /nfs/dbraw/zinc/15/84/25/891158425.db2.gz ZWKAHBZPCFWORK-SDDRHHMPSA-N 1 0 281.356 -0.344 20 30 CBEDRO N#CCCCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001351669958 891169877 /nfs/dbraw/zinc/16/98/77/891169877.db2.gz POCPGARJXKJSFR-JTQLQIEISA-N 1 0 258.347 -0.486 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001351982545 891208505 /nfs/dbraw/zinc/20/85/05/891208505.db2.gz IRMUZZAVTWOCMX-HOTUBEGUSA-N 1 0 266.276 -0.977 20 30 CBEDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(CCC#N)CC1 ZINC001352052723 891217912 /nfs/dbraw/zinc/21/79/12/891217912.db2.gz BPQNMYZUYCTXQW-GFCCVEGCSA-N 1 0 267.377 -0.677 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC001352052992 891219331 /nfs/dbraw/zinc/21/93/31/891219331.db2.gz DXBAAOVUDGWDQA-UHFFFAOYSA-N 1 0 283.372 -0.549 20 30 CBEDRO CN(C(=O)C(=O)N1CCO[C@](C)(C#N)C1)C1CC[NH2+]CC1 ZINC001352797758 891294335 /nfs/dbraw/zinc/29/43/35/891294335.db2.gz LYWTTXFLROXAOV-CQSZACIVSA-N 1 0 294.355 -0.662 20 30 CBEDRO C=C(C)C[C@H](CO)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001352818455 891300883 /nfs/dbraw/zinc/30/08/83/891300883.db2.gz QZWKIPWBAVUNJM-LLVKDONJSA-N 1 0 277.386 -0.157 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C2CN(C)C2)CC1 ZINC001352922577 891322413 /nfs/dbraw/zinc/32/24/13/891322413.db2.gz KUGDYEURIHDMFH-UHFFFAOYSA-N 1 0 266.389 -0.438 20 30 CBEDRO CN1CC[NH+](C2CCN(CC(=O)NCC#N)CC2)CC1 ZINC001352924457 891325144 /nfs/dbraw/zinc/32/51/44/891325144.db2.gz FIULJMXPXKDJOH-UHFFFAOYSA-N 1 0 279.388 -0.662 20 30 CBEDRO C#CCC1(O)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001352949411 891325515 /nfs/dbraw/zinc/32/55/15/891325515.db2.gz JYRLPIIMAWVYSW-UHFFFAOYSA-N 1 0 265.313 -0.612 20 30 CBEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001353147437 891367681 /nfs/dbraw/zinc/36/76/81/891367681.db2.gz DJAGZXABLJSHHH-WDEREUQCSA-N 1 0 266.345 -0.280 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCN1CCOC[C@@H]1CC ZINC001353322336 891405138 /nfs/dbraw/zinc/40/51/38/891405138.db2.gz HGCOIIPLMILMTN-ZDUSSCGKSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#CCN1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001353322183 891405322 /nfs/dbraw/zinc/40/53/22/891405322.db2.gz DNRWZVNQSUAYFH-CQSZACIVSA-N 1 0 270.373 -0.303 20 30 CBEDRO C#CCn1cc(C[NH2+]C[C@@H](O)Cn2cccn2)cn1 ZINC001353355367 891410423 /nfs/dbraw/zinc/41/04/23/891410423.db2.gz YYGATAZPWZEGJV-CYBMUJFWSA-N 1 0 259.313 -0.137 20 30 CBEDRO C#CCn1cc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cn1 ZINC001353353035 891411061 /nfs/dbraw/zinc/41/10/61/891411061.db2.gz HYLNQOBNRPFQTN-KGLIPLIRSA-N 1 0 279.340 -0.492 20 30 CBEDRO CS(=O)(=O)NCCC[NH2+]C[C@H](C#N)CCC#N ZINC001353483894 891432862 /nfs/dbraw/zinc/43/28/62/891432862.db2.gz AOXOVJPCLQUOFY-JTQLQIEISA-N 1 0 258.347 -0.041 20 30 CBEDRO CS(=O)(=O)NCCC[NH2+]C[C@@H](C#N)CCC#N ZINC001353483895 891434246 /nfs/dbraw/zinc/43/42/46/891434246.db2.gz AOXOVJPCLQUOFY-SNVBAGLBSA-N 1 0 258.347 -0.041 20 30 CBEDRO N#CCCN1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001353487317 891434413 /nfs/dbraw/zinc/43/44/13/891434413.db2.gz AZVVECHEXJCKQV-GDNZZTSVSA-N 1 0 263.345 -0.555 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc2cccnn21 ZINC001353612780 891453980 /nfs/dbraw/zinc/45/39/80/891453980.db2.gz GQXZGTFXUDCLTB-IUCAKERBSA-N 1 0 256.269 -0.429 20 30 CBEDRO C#CC[NH2+]CC(=O)NC1CCN(C(=O)CCOC)CC1 ZINC001353809627 891473248 /nfs/dbraw/zinc/47/32/48/891473248.db2.gz SKJBGRRNVWVRMP-UHFFFAOYSA-N 1 0 281.356 -0.647 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC001354244888 891544266 /nfs/dbraw/zinc/54/42/66/891544266.db2.gz AMMHRWJUBMQLSH-GRYCIOLGSA-N 1 0 278.356 -0.198 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354511143 891590917 /nfs/dbraw/zinc/59/09/17/891590917.db2.gz CYFFTGRQCAROPK-GWCFXTLKSA-N 1 0 267.329 -0.037 20 30 CBEDRO C#CC1(O)CC[NH+](C[C@H](O)C2(O)CCOCC2)CC1 ZINC001354857641 891623273 /nfs/dbraw/zinc/62/32/73/891623273.db2.gz HHCIRBIYTVXHOK-LBPRGKRZSA-N 1 0 269.341 -0.651 20 30 CBEDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cn1cnc(C#N)n1 ZINC001354894455 891629105 /nfs/dbraw/zinc/62/91/05/891629105.db2.gz XHMQJRITDRPRIK-KXUCPTDWSA-N 1 0 262.317 -0.253 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC001356089351 891726016 /nfs/dbraw/zinc/72/60/16/891726016.db2.gz ASKFHAXWHFRKGO-AWAWDMARSA-N 1 0 292.339 -0.923 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCO1 ZINC001356089459 891726311 /nfs/dbraw/zinc/72/63/11/891726311.db2.gz CEZZKKHTUKGENW-FZMZJTMJSA-N 1 0 294.355 -0.675 20 30 CBEDRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001356216311 891738783 /nfs/dbraw/zinc/73/87/83/891738783.db2.gz FURFZFBGXCGSNF-CYBMUJFWSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001356437911 891760102 /nfs/dbraw/zinc/76/01/02/891760102.db2.gz DGTTVTIQKIFKKC-NWDGAFQWSA-N 1 0 281.356 -0.804 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC001356455868 891765513 /nfs/dbraw/zinc/76/55/13/891765513.db2.gz SXOYHFIVZIJSPD-KOLCDFICSA-N 1 0 264.329 -0.398 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001356808582 891814018 /nfs/dbraw/zinc/81/40/18/891814018.db2.gz BJHYSVPCGULXGC-HNNXBMFYSA-N 1 0 297.399 -0.160 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001357400275 891885857 /nfs/dbraw/zinc/88/58/57/891885857.db2.gz OZYUPMQFMVHVKJ-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001357400273 891886112 /nfs/dbraw/zinc/88/61/12/891886112.db2.gz OZYUPMQFMVHVKJ-NWDGAFQWSA-N 1 0 297.399 -0.114 20 30 CBEDRO CC(=O)N[C@](C)(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(C)C ZINC001357444492 891893323 /nfs/dbraw/zinc/89/33/23/891893323.db2.gz GRQXULPYTDBXQH-GVXVVHGQSA-N 1 0 266.345 -0.235 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC001357939854 891947211 /nfs/dbraw/zinc/94/72/11/891947211.db2.gz YSYRLCKIMKHUBG-NEPJUHHUSA-N 1 0 282.340 -0.316 20 30 CBEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1COC(=O)C1)C2 ZINC001358060548 891966479 /nfs/dbraw/zinc/96/64/79/891966479.db2.gz YCBPHKKBOVSSGR-YZOMMJAFSA-N 1 0 263.297 -0.443 20 30 CBEDRO C=CC[C@]1(C(=O)NC[C@H](O)CS(C)(=O)=O)CCC[NH2+]1 ZINC001358225682 891982467 /nfs/dbraw/zinc/98/24/67/891982467.db2.gz YJNXPAXKMJMRIO-CMPLNLGQSA-N 1 0 290.385 -0.794 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001358357892 891997207 /nfs/dbraw/zinc/99/72/07/891997207.db2.gz AZANWIQMGOCLKF-NXEZZACHSA-N 1 0 254.334 -0.281 20 30 CBEDRO CC(C)OC[C@H]([NH3+])C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001358405501 891999534 /nfs/dbraw/zinc/99/95/34/891999534.db2.gz ATQUIBDEGPPFMB-JQWIXIFHSA-N 1 0 255.318 -0.120 20 30 CBEDRO C=CC[C@@]1(C(=O)NCCCc2nnnn2C)CCC[NH2+]1 ZINC001358458106 892006918 /nfs/dbraw/zinc/00/69/18/892006918.db2.gz ADDYHGSHOYMWSB-ZDUSSCGKSA-N 1 0 278.360 -0.043 20 30 CBEDRO Cn1c(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001361962938 892341787 /nfs/dbraw/zinc/34/17/87/892341787.db2.gz STCQVAASZJFHJR-GFCCVEGCSA-N 1 0 275.356 -0.128 20 30 CBEDRO N#C[C@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001362146876 892468485 /nfs/dbraw/zinc/46/84/85/892468485.db2.gz LPMOYOWZDOUOHR-HZSPNIEDSA-N 1 0 292.383 -0.331 20 30 CBEDRO C[NH+]1CCC(CNC(=O)CC#N)(N2CCOCC2)CC1 ZINC001363046951 893300675 /nfs/dbraw/zinc/30/06/75/893300675.db2.gz ICFYFQWOKMXIEM-UHFFFAOYSA-N 1 0 280.372 -0.187 20 30 CBEDRO N#Cc1ncn(CCNC(=O)CC[N@H+]2CC[C@H](F)C2)n1 ZINC001363167676 893423218 /nfs/dbraw/zinc/42/32/18/893423218.db2.gz JWFGZKVCLMGKBD-JTQLQIEISA-N 1 0 280.307 -0.300 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@H](O)C[C@H]2CO)CCOCC1 ZINC001363222824 893471761 /nfs/dbraw/zinc/47/17/61/893471761.db2.gz NLHZWYFGUITQLE-YNEHKIRRSA-N 1 0 284.356 -0.515 20 30 CBEDRO C[NH+](C)CC[C@H]1CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC001363563665 893800800 /nfs/dbraw/zinc/80/08/00/893800800.db2.gz OAUUNDZLVVWDPR-NSHDSACASA-N 1 0 276.344 -0.050 20 30 CBEDRO N#Cc1cccc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1F ZINC001363812254 894024067 /nfs/dbraw/zinc/02/40/67/894024067.db2.gz RCSVWPWFWICCDV-GHMZBOCLSA-N 1 0 290.298 -0.284 20 30 CBEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001363853543 894062233 /nfs/dbraw/zinc/06/22/33/894062233.db2.gz JOCACDXPRLGOAE-CHWSQXEVSA-N 1 0 283.372 -0.329 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001364119951 894200997 /nfs/dbraw/zinc/20/09/97/894200997.db2.gz DRUXARCXMXGACC-QWRGUYRKSA-N 1 0 290.364 -0.195 20 30 CBEDRO N#CC1(C[C@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC001364376082 894376258 /nfs/dbraw/zinc/37/62/58/894376258.db2.gz GVARCRFKBOGCAV-JTQLQIEISA-N 1 0 287.385 -0.206 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC001364481916 894449316 /nfs/dbraw/zinc/44/93/16/894449316.db2.gz QUGYYOATOWTFAN-CYBMUJFWSA-N 1 0 295.383 -0.138 20 30 CBEDRO C[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)n1cnc(C#N)n1 ZINC001364502477 894462068 /nfs/dbraw/zinc/46/20/68/894462068.db2.gz CPHIPBVJUZARHP-GWCFXTLKSA-N 1 0 294.359 -0.470 20 30 CBEDRO N#Cc1cc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cs1 ZINC001364984078 894711014 /nfs/dbraw/zinc/71/10/14/894711014.db2.gz KSOQHUKBALSRSJ-UWVGGRQHSA-N 1 0 278.337 -0.362 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001451699770 913895036 /nfs/dbraw/zinc/89/50/36/913895036.db2.gz UPVNQUJIQCPTBP-JTQLQIEISA-N 1 0 264.333 -0.388 20 30 CBEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC001365333086 894910431 /nfs/dbraw/zinc/91/04/31/894910431.db2.gz FTLQXBXXTFRCAG-MNOVXSKESA-N 1 0 287.385 -0.348 20 30 CBEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001365338582 894913952 /nfs/dbraw/zinc/91/39/52/894913952.db2.gz DKXYCWRCVZBQCX-CHWSQXEVSA-N 1 0 283.372 -0.329 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001451919638 913930008 /nfs/dbraw/zinc/93/00/08/913930008.db2.gz FJJNLLRTHQTDQY-VXGBXAGGSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[N@H+](CCNC(=O)[C@H](C)C#N)C[C@H](O)Cn1cccn1 ZINC001366602390 895404913 /nfs/dbraw/zinc/40/49/13/895404913.db2.gz DSIOTWYTIQGMDA-OLZOCXBDSA-N 1 0 293.371 -0.158 20 30 CBEDRO COCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC001367563468 895667034 /nfs/dbraw/zinc/66/70/34/895667034.db2.gz PAEKXKLLKVKVDT-GFCCVEGCSA-N 1 0 295.314 -0.090 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001367619126 895710347 /nfs/dbraw/zinc/71/03/47/895710347.db2.gz YRXWTRFXEROZOF-JTQLQIEISA-N 1 0 272.736 -0.229 20 30 CBEDRO C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001367636957 895717629 /nfs/dbraw/zinc/71/76/29/895717629.db2.gz FNIXKBGSKXFKKD-BXKDBHETSA-N 1 0 289.339 -0.127 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367664933 895737237 /nfs/dbraw/zinc/73/72/37/895737237.db2.gz QTDSSDZZNCXJNX-UWVGGRQHSA-N 1 0 289.763 -0.526 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001367896381 895847560 /nfs/dbraw/zinc/84/75/60/895847560.db2.gz KDAKYHCRYXRDBF-JTQLQIEISA-N 1 0 284.751 -0.090 20 30 CBEDRO C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001368023421 895893060 /nfs/dbraw/zinc/89/30/60/895893060.db2.gz QOVMZTNMTMJZLD-QMMMGPOBSA-N 1 0 272.736 -0.341 20 30 CBEDRO COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001368677486 896060243 /nfs/dbraw/zinc/06/02/43/896060243.db2.gz DBNINTXOQVOMCX-NEPJUHHUSA-N 1 0 299.371 -0.904 20 30 CBEDRO CNC(=O)C[NH2+]CC1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001368814078 896089347 /nfs/dbraw/zinc/08/93/47/896089347.db2.gz HUWUYJTZEKWFIC-UHFFFAOYSA-N 1 0 289.339 -0.270 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]CCc1ccns1 ZINC001369318487 896211551 /nfs/dbraw/zinc/21/15/51/896211551.db2.gz GOSVGQDKMSEVOQ-VHSXEESVSA-N 1 0 282.369 -0.088 20 30 CBEDRO N#Cc1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001369415755 896266300 /nfs/dbraw/zinc/26/63/00/896266300.db2.gz DGDZVBVBWARTNX-ONGXEEELSA-N 1 0 289.339 -0.140 20 30 CBEDRO COC[C@H](O)C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001373497056 897032620 /nfs/dbraw/zinc/03/26/20/897032620.db2.gz OUEZETNHGCALDR-GFCCVEGCSA-N 1 0 292.339 -0.445 20 30 CBEDRO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+][C@@H]1CCNC1=O ZINC001374011976 897155599 /nfs/dbraw/zinc/15/55/99/897155599.db2.gz RYZQTIDXLAMRHG-BXKDBHETSA-N 1 0 289.339 -0.270 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374013081 897155948 /nfs/dbraw/zinc/15/59/48/897155948.db2.gz YDOBNKQEUQEYPJ-NXEZZACHSA-N 1 0 291.355 -0.024 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001374205385 897185547 /nfs/dbraw/zinc/18/55/47/897185547.db2.gz HOQJWDFCQFGAPE-ZJUUUORDSA-N 1 0 297.359 -0.572 20 30 CBEDRO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001374212185 897190605 /nfs/dbraw/zinc/19/06/05/897190605.db2.gz SNLAYNZRFNKXSJ-ZYHUDNBSSA-N 1 0 294.355 -0.056 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1=COCCO1 ZINC001374578238 897273768 /nfs/dbraw/zinc/27/37/68/897273768.db2.gz VWHVRECSVWWCRQ-SECBINFHSA-N 1 0 276.720 -0.306 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1=COCCO1 ZINC001374578251 897274571 /nfs/dbraw/zinc/27/45/71/897274571.db2.gz VWHVRECSVWWCRQ-VIFPVBQESA-N 1 0 276.720 -0.306 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001374586296 897280891 /nfs/dbraw/zinc/28/08/91/897280891.db2.gz GUNIVTCXIIFGSL-WDEREUQCSA-N 1 0 291.779 -0.864 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001374616596 897310021 /nfs/dbraw/zinc/31/00/21/897310021.db2.gz RGSNOBANUGILCZ-UWVGGRQHSA-N 1 0 289.763 -0.668 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cncn1C ZINC001374633407 897316319 /nfs/dbraw/zinc/31/63/19/897316319.db2.gz YXTOXBOHJWTKNC-VIFPVBQESA-N 1 0 272.736 -0.147 20 30 CBEDRO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001374698557 897348963 /nfs/dbraw/zinc/34/89/63/897348963.db2.gz QNFGGCBXWLCXAM-ONGXEEELSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001374752108 897371343 /nfs/dbraw/zinc/37/13/43/897371343.db2.gz UZYGOGKIGSFLEG-GWCFXTLKSA-N 1 0 290.367 -0.185 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001374752115 897374524 /nfs/dbraw/zinc/37/45/24/897374524.db2.gz UZYGOGKIGSFLEG-MFKMUULPSA-N 1 0 290.367 -0.185 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001375483142 897551428 /nfs/dbraw/zinc/55/14/28/897551428.db2.gz FPJRCSGRFHFUGM-MXWKQRLJSA-N 1 0 276.344 -0.041 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001376313401 897710964 /nfs/dbraw/zinc/71/09/64/897710964.db2.gz FMVAQBRAABLLET-AAEUAGOBSA-N 1 0 292.339 -0.302 20 30 CBEDRO C[C@@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1ccc(C#N)cc1 ZINC001376698515 897810488 /nfs/dbraw/zinc/81/04/88/897810488.db2.gz UXPRNFNDXWFGFE-NSHDSACASA-N 1 0 299.338 -0.161 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](C)[NH2+]CC(=O)Nc1cnccn1 ZINC001376698680 897810950 /nfs/dbraw/zinc/81/09/50/897810950.db2.gz HDBJCEDXXNLYRH-ZJUUUORDSA-N 1 0 290.327 -0.331 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001376786409 897843395 /nfs/dbraw/zinc/84/33/95/897843395.db2.gz SAYDBAMQPPERLT-SNVBAGLBSA-N 1 0 288.779 -0.735 20 30 CBEDRO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001376853477 897873082 /nfs/dbraw/zinc/87/30/82/897873082.db2.gz KBGIRBPJDPOSSD-NWDGAFQWSA-N 1 0 296.371 -0.512 20 30 CBEDRO COC[C@@H](O)C[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001377135360 897940548 /nfs/dbraw/zinc/94/05/48/897940548.db2.gz BCXZIYVGEYDIRQ-NSHDSACASA-N 1 0 280.328 -0.445 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001377751654 898128775 /nfs/dbraw/zinc/12/87/75/898128775.db2.gz IXWIDFCFCXEXPG-RKDXNWHRSA-N 1 0 272.740 -0.092 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)NCCC(=O)OC ZINC001454610991 914237508 /nfs/dbraw/zinc/23/75/08/914237508.db2.gz DUMUATBPDALFOO-UHFFFAOYSA-N 1 0 299.371 -0.320 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001378592737 898362525 /nfs/dbraw/zinc/36/25/25/898362525.db2.gz AXCACSDYCPTKBK-VXNVDRBHSA-N 1 0 274.752 -0.238 20 30 CBEDRO 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C=CC[NH2+][C@@H](CO)CNC(=O)c1c(C)cnn1C ZINC001507227672 921760896 /nfs/dbraw/zinc/76/08/96/921760896.db2.gz YANLOURZGBIFCE-SNVBAGLBSA-N 1 0 252.318 -0.405 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnc(C)n1C ZINC001507229595 921763827 /nfs/dbraw/zinc/76/38/27/921763827.db2.gz QHODYDKFSUFWIZ-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)C=CCC1 ZINC001507225505 921761004 /nfs/dbraw/zinc/76/10/04/921761004.db2.gz MUJCANMLSPMQQY-SMDDNHRTSA-N 1 0 294.355 -0.951 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1c(C)cnn1C ZINC001507227671 921762033 /nfs/dbraw/zinc/76/20/33/921762033.db2.gz YANLOURZGBIFCE-JTQLQIEISA-N 1 0 252.318 -0.405 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1cc(C)on1 ZINC001507232033 921764035 /nfs/dbraw/zinc/76/40/35/921764035.db2.gz IGOKOWXMGKXROO-GFCCVEGCSA-N 1 0 265.313 -0.384 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001507230031 921765260 /nfs/dbraw/zinc/76/52/60/921765260.db2.gz UPSJJOKHSFKKDQ-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC ZINC001469186976 915386857 /nfs/dbraw/zinc/38/68/57/915386857.db2.gz VBAAVBGKRQWSKU-LLVKDONJSA-N 1 0 297.355 -0.616 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001507235741 921768327 /nfs/dbraw/zinc/76/83/27/921768327.db2.gz ZESXWLDSJGIUTG-FZMZJTMJSA-N 1 0 283.372 -0.312 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](OC)C(C)C ZINC001507235099 921768556 /nfs/dbraw/zinc/76/85/56/921768556.db2.gz KTLCEMJDSZUDSM-NEPJUHHUSA-N 1 0 256.346 -0.253 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1c(C)nn(C)c1OC ZINC001507236698 921771144 /nfs/dbraw/zinc/77/11/44/921771144.db2.gz NGVXUDSQYBULMN-NSHDSACASA-N 1 0 294.355 -0.559 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001507240843 921774829 /nfs/dbraw/zinc/77/48/29/921774829.db2.gz PLNXGQVURFPLNP-LLVKDONJSA-N 1 0 250.302 -0.958 20 30 CBEDRO N#C[C@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCO1 ZINC001470334967 915471365 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CCC[N@@H+](CC#CCOC)CCNC(=O)Cn1ncnn1 ZINC001481136821 916727242 /nfs/dbraw/zinc/72/72/42/916727242.db2.gz QQFNDKYTDXSFMK-UHFFFAOYSA-N 1 0 294.359 -0.849 20 30 CBEDRO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)C(N)=O ZINC001481132489 916730664 /nfs/dbraw/zinc/73/06/64/916730664.db2.gz QNOSNERFIIZBQN-VHSXEESVSA-N 1 0 254.334 -0.152 20 30 CBEDRO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)C(N)=O ZINC001481132488 916730734 /nfs/dbraw/zinc/73/07/34/916730734.db2.gz QNOSNERFIIZBQN-UWVGGRQHSA-N 1 0 254.334 -0.152 20 30 CBEDRO C#CC[N@@H+](CCNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001481164320 916742416 /nfs/dbraw/zinc/74/24/16/916742416.db2.gz CGTMPNGRMMFJFK-LLVKDONJSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CC[N@@H+](CCNC(=O)c1ccn2nnnc2c1)C1CC1 ZINC001481179455 916746346 /nfs/dbraw/zinc/74/63/46/916746346.db2.gz DESCSULGVUSELJ-UHFFFAOYSA-N 1 0 284.323 -0.048 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cc[nH]n1 ZINC001481208755 916757439 /nfs/dbraw/zinc/75/74/39/916757439.db2.gz 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NSAMISPPAUHTMX-NXEZZACHSA-N 1 0 254.334 -0.320 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1cnon1 ZINC001482342471 917129561 /nfs/dbraw/zinc/12/95/61/917129561.db2.gz GPJBLTTXJOUZHU-ZJUUUORDSA-N 1 0 293.327 -0.742 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001482345145 917130828 /nfs/dbraw/zinc/13/08/28/917130828.db2.gz SSDVPRHXFLYQKY-ZJUUUORDSA-N 1 0 294.359 -0.455 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001482341827 917132425 /nfs/dbraw/zinc/13/24/25/917132425.db2.gz CLQUSVBPWWGFFI-SECBINFHSA-N 1 0 265.313 -0.891 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001482373589 917140368 /nfs/dbraw/zinc/14/03/68/917140368.db2.gz NLVHKZWWHMCCKU-UWVGGRQHSA-N 1 0 267.329 -0.338 20 30 CBEDRO C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CS(=O)(=O)C1 ZINC001482385936 917142652 /nfs/dbraw/zinc/14/26/52/917142652.db2.gz QJZOFLGZFGXXEV-GFCCVEGCSA-N 1 0 286.397 -0.215 20 30 CBEDRO COCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001482464903 917146129 /nfs/dbraw/zinc/14/61/29/917146129.db2.gz XQQPMVWYFGTFMZ-RYUDHWBXSA-N 1 0 296.371 -0.511 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001482464312 917146407 /nfs/dbraw/zinc/14/64/07/917146407.db2.gz RCHAUOMMZWEOEK-YPMHNXCESA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cnnn1 ZINC001482480099 917149123 /nfs/dbraw/zinc/14/91/23/917149123.db2.gz FQTJAGRLXCJDOP-CHWSQXEVSA-N 1 0 290.371 -0.087 20 30 CBEDRO C=C(C)C[NH2+][C@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001482531342 917153749 /nfs/dbraw/zinc/15/37/49/917153749.db2.gz KUPWLHZFLXTPTF-LLVKDONJSA-N 1 0 266.349 -0.020 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C(C)C ZINC001482549062 917156821 /nfs/dbraw/zinc/15/68/21/917156821.db2.gz WGNWFLNEYSIRMD-RYUDHWBXSA-N 1 0 265.357 -0.029 20 30 CBEDRO COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001482549974 917157788 /nfs/dbraw/zinc/15/77/88/917157788.db2.gz BIMRLDBXOIFJGB-RYUDHWBXSA-N 1 0 296.371 -0.952 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001482590848 917167450 /nfs/dbraw/zinc/16/74/50/917167450.db2.gz VWJNABBHWQPWFK-NSHDSACASA-N 1 0 252.314 -0.037 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001482600253 917174820 /nfs/dbraw/zinc/17/48/20/917174820.db2.gz FYELHAXUSGZLPH-LBPRGKRZSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001482619080 917185128 /nfs/dbraw/zinc/18/51/28/917185128.db2.gz NHEXLSPPAOFKFG-UHFFFAOYSA-N 1 0 250.302 -0.237 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001482631071 917192809 /nfs/dbraw/zinc/19/28/09/917192809.db2.gz JBKXHEHMXLUAKM-LLVKDONJSA-N 1 0 289.401 -0.662 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)c1 ZINC001482672955 917202535 /nfs/dbraw/zinc/20/25/35/917202535.db2.gz SUHDCAQRCQSJJC-GHMZBOCLSA-N 1 0 289.339 -0.140 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1ncnn1 ZINC001482677203 917202649 /nfs/dbraw/zinc/20/26/49/917202649.db2.gz MXRAOHULCYSIMU-MNOVXSKESA-N 1 0 264.333 -0.266 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)C)C1=O ZINC001482710127 917208310 /nfs/dbraw/zinc/20/83/10/917208310.db2.gz ZJTKBJLDVAHTEK-NEPJUHHUSA-N 1 0 283.372 -0.504 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001482710776 917211989 /nfs/dbraw/zinc/21/19/89/917211989.db2.gz GBCVOERSMFJIDY-NEPJUHHUSA-N 1 0 254.330 -0.355 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001482710778 917215101 /nfs/dbraw/zinc/21/51/01/917215101.db2.gz GBCVOERSMFJIDY-RYUDHWBXSA-N 1 0 254.330 -0.355 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ncoc1C ZINC001482712525 917219794 /nfs/dbraw/zinc/21/97/94/917219794.db2.gz MWJMYHOPILWFBX-JTQLQIEISA-N 1 0 251.286 -0.313 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1nccnc1N ZINC001482714658 917221432 /nfs/dbraw/zinc/22/14/32/917221432.db2.gz FPNMKSJMEGNPHZ-JTQLQIEISA-N 1 0 279.344 -0.295 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccon1 ZINC001482714470 917224396 /nfs/dbraw/zinc/22/43/96/917224396.db2.gz DPEUAFWBXQJHDB-LLVKDONJSA-N 1 0 251.286 -0.693 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC1(C)C ZINC001482722182 917225987 /nfs/dbraw/zinc/22/59/87/917225987.db2.gz KLJGDBAJVDXXSJ-WDEREUQCSA-N 1 0 283.372 -0.599 20 30 CBEDRO COCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482723438 917228254 /nfs/dbraw/zinc/22/82/54/917228254.db2.gz SSGSROFCFICFHC-SNVBAGLBSA-N 1 0 266.301 -0.787 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482723776 917230899 /nfs/dbraw/zinc/23/08/99/917230899.db2.gz XBGRVXASUVDLKF-LLVKDONJSA-N 1 0 260.297 -0.410 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001482726558 917235062 /nfs/dbraw/zinc/23/50/62/917235062.db2.gz WDPCLDJENXIHPV-GXTWGEPZSA-N 1 0 284.356 -0.970 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001482726988 917235713 /nfs/dbraw/zinc/23/57/13/917235713.db2.gz IPGLNAQTFWWZFH-JTQLQIEISA-N 1 0 265.317 -0.998 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cc(OC)no1 ZINC001482734263 917242590 /nfs/dbraw/zinc/24/25/90/917242590.db2.gz QCARLTLHQXEGMD-SNVBAGLBSA-N 1 0 281.312 -0.684 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001482733382 917243240 /nfs/dbraw/zinc/24/32/40/917243240.db2.gz DASXFRZFCUXZID-RYUDHWBXSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001482744040 917247846 /nfs/dbraw/zinc/24/78/46/917247846.db2.gz OPABSLLWIUSCKQ-WCQYABFASA-N 1 0 278.356 -0.302 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001482755320 917250574 /nfs/dbraw/zinc/25/05/74/917250574.db2.gz FKMJEDWFKLOZAX-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO CC[C@H](F)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001482757830 917253998 /nfs/dbraw/zinc/25/39/98/917253998.db2.gz RFBYJQUMQXDBFX-QWRGUYRKSA-N 1 0 260.309 -0.549 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC(C)=C(C)C ZINC001482757729 917256102 /nfs/dbraw/zinc/25/61/02/917256102.db2.gz PTYLPWZJJNUWCE-ZDUSSCGKSA-N 1 0 295.383 -0.451 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001482760142 917258510 /nfs/dbraw/zinc/25/85/10/917258510.db2.gz IOPSSLOODBYEKM-CYBMUJFWSA-N 1 0 273.336 -0.187 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)nc[nH]c1=O ZINC001482761103 917260904 /nfs/dbraw/zinc/26/09/04/917260904.db2.gz SIHPIANSYGNRPZ-SNVBAGLBSA-N 1 0 280.328 -0.253 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C)CC=CC1 ZINC001482764178 917264130 /nfs/dbraw/zinc/26/41/30/917264130.db2.gz KZIVSOMLNRHEPS-GFCCVEGCSA-N 1 0 293.367 -0.841 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001482768608 917267446 /nfs/dbraw/zinc/26/74/46/917267446.db2.gz VZEGQIPKJWPIHK-LLVKDONJSA-N 1 0 293.371 -0.263 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ocnc1CC ZINC001482767975 917268739 /nfs/dbraw/zinc/26/87/39/917268739.db2.gz WNVAASLDCNOHAB-SNVBAGLBSA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC(=C)C)nn1 ZINC001482777656 917270558 /nfs/dbraw/zinc/27/05/58/917270558.db2.gz VQNNMGMYMKPOLO-NSHDSACASA-N 1 0 279.344 -0.280 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1c(C)noc1Cl ZINC001482775757 917270786 /nfs/dbraw/zinc/27/07/86/917270786.db2.gz RFUXLGFVOQWDBR-VIFPVBQESA-N 1 0 285.731 -0.121 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001482777339 917272849 /nfs/dbraw/zinc/27/28/49/917272849.db2.gz ACILHWBZJAPRLR-NSHDSACASA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001482774661 917273356 /nfs/dbraw/zinc/27/33/56/917273356.db2.gz DYQYBVXPCTYFQO-AWEZNQCLSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001482779506 917275630 /nfs/dbraw/zinc/27/56/30/917275630.db2.gz KUQJPOZFFREXCE-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccco1 ZINC001482779523 917276212 /nfs/dbraw/zinc/27/62/12/917276212.db2.gz LFLYKWKUCZIRAZ-LBPRGKRZSA-N 1 0 280.324 -0.461 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCCC2 ZINC001482783933 917279246 /nfs/dbraw/zinc/27/92/46/917279246.db2.gz YNKRQMLKGQIGPF-LBPRGKRZSA-N 1 0 290.367 -0.077 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001482782030 917279777 /nfs/dbraw/zinc/27/97/77/917279777.db2.gz YLHAUBXAIOZZHA-NSHDSACASA-N 1 0 276.340 -0.009 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482781498 917280298 /nfs/dbraw/zinc/28/02/98/917280298.db2.gz JHUUDEOGRCBBAC-LLVKDONJSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(CCOC)CCC1 ZINC001482789624 917282374 /nfs/dbraw/zinc/28/23/74/917282374.db2.gz WNKHYLZEBQZUST-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001482809679 917298145 /nfs/dbraw/zinc/29/81/45/917298145.db2.gz XHGJWAAVEOBOHT-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CSCC#N ZINC001482809800 917298684 /nfs/dbraw/zinc/29/86/84/917298684.db2.gz IGUSHYBFSCZQKU-LLVKDONJSA-N 1 0 298.412 -0.040 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001482830392 917305668 /nfs/dbraw/zinc/30/56/68/917305668.db2.gz REKLSRPTCLQJCY-QWRGUYRKSA-N 1 0 291.355 -0.354 20 30 CBEDRO C=CC[NH2+]CC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001482835935 917308153 /nfs/dbraw/zinc/30/81/53/917308153.db2.gz ZXNYXKSLUXXLHR-VIFPVBQESA-N 1 0 280.332 -0.953 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cncn1C ZINC001482849149 917311950 /nfs/dbraw/zinc/31/19/50/917311950.db2.gz BNGDBGZASYDKMF-SNVBAGLBSA-N 1 0 292.343 -0.842 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)c1cnon1 ZINC001482885209 917325814 /nfs/dbraw/zinc/32/58/14/917325814.db2.gz RAUNAOXNDJNXKY-JTQLQIEISA-N 1 0 266.301 -0.183 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C#CC1CC1 ZINC001482925032 917336273 /nfs/dbraw/zinc/33/62/73/917336273.db2.gz PXAKQXDIVZTCGY-UHFFFAOYSA-N 1 0 280.328 -0.967 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C1(C(N)=O)CC1 ZINC001482947721 917346786 /nfs/dbraw/zinc/34/67/86/917346786.db2.gz BUWSVBUSYKUSEU-UHFFFAOYSA-N 1 0 281.356 -0.660 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1c[nH]c(=O)n1C ZINC001482943537 917348212 /nfs/dbraw/zinc/34/82/12/917348212.db2.gz JDRWSLJCKSTQRT-UHFFFAOYSA-N 1 0 250.302 -0.189 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1cccnc1C(N)=O ZINC001482969865 917350333 /nfs/dbraw/zinc/35/03/33/917350333.db2.gz UCIXQVDTGXCTKS-UHFFFAOYSA-N 1 0 274.324 -0.135 20 30 CBEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)CN1C(=O)CNC1=O ZINC001482965937 917351612 /nfs/dbraw/zinc/35/16/12/917351612.db2.gz AYAARJSACBJFPM-UHFFFAOYSA-N 1 0 296.371 -0.058 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@]1(C)CCOC1 ZINC001482960968 917352141 /nfs/dbraw/zinc/35/21/41/917352141.db2.gz YNNWWKRYUYBRAA-HNNXBMFYSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC(C)CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001482978363 917355797 /nfs/dbraw/zinc/35/57/97/917355797.db2.gz KMLVRZDEPJEQNH-ARJAWSKDSA-N 1 0 266.345 -0.066 20 30 CBEDRO C[C@@H]([NH2+]C/C=C\CNC(=O)CSCC#N)C(=O)N(C)C ZINC001482980398 917357389 /nfs/dbraw/zinc/35/73/89/917357389.db2.gz KBRFPCZOJCQCQF-DOGVGXBMSA-N 1 0 298.412 -0.018 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cscn1 ZINC001482989578 917361791 /nfs/dbraw/zinc/36/17/91/917361791.db2.gz ZHKDCHSDZYEZFG-ONEGZZNKSA-N 1 0 292.364 -0.232 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCCO1 ZINC001482996559 917364184 /nfs/dbraw/zinc/36/41/84/917364184.db2.gz FFEDYQAGGXPNRP-QAVQXKDTSA-N 1 0 294.355 -0.543 20 30 CBEDRO Cc1cc[nH]c1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483001995 917370527 /nfs/dbraw/zinc/37/05/27/917370527.db2.gz DGVTVLNAHRXRKF-IHWYPQMZSA-N 1 0 289.339 -0.162 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cn2c(n1)COCC2 ZINC001483023820 917379310 /nfs/dbraw/zinc/37/93/10/917379310.db2.gz QGJGUVHCAOWKJW-ARJAWSKDSA-N 1 0 274.324 -0.078 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CCS(C)(=O)=O ZINC001483027044 917379662 /nfs/dbraw/zinc/37/96/62/917379662.db2.gz WBMXFPSYBGRUCZ-SNAWJCMRSA-N 1 0 258.343 -0.684 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1c[nH]nc1C ZINC001483047073 917386759 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C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001484866273 917951423 /nfs/dbraw/zinc/95/14/23/917951423.db2.gz KFQWLGQIVQEVMT-LBPRGKRZSA-N 1 0 295.383 -0.046 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC001484876276 917953692 /nfs/dbraw/zinc/95/36/92/917953692.db2.gz CRENJQPLGCJAAZ-RWMBFGLXSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)CCCCC(N)=O)CCOCC1 ZINC001484871578 917954361 /nfs/dbraw/zinc/95/43/61/917954361.db2.gz WSQVELNLCFQKMU-UHFFFAOYSA-N 1 0 295.383 -0.080 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001484879533 917954684 /nfs/dbraw/zinc/95/46/84/917954684.db2.gz MVPOPWZUDFKZHK-MNOVXSKESA-N 1 0 272.370 -0.509 20 30 CBEDRO C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484876964 917955748 /nfs/dbraw/zinc/95/57/48/917955748.db2.gz KYSZZWUENRMTQY-SFYZADRCSA-N 1 0 274.271 -0.672 20 30 CBEDRO C#CC[NH2+]C1(C)CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001484912492 917962907 /nfs/dbraw/zinc/96/29/07/917962907.db2.gz 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C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001485129460 918005110 /nfs/dbraw/zinc/00/51/10/918005110.db2.gz VPCPIDTXGPQXMW-ZJUUUORDSA-N 1 0 260.359 -0.463 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001485144098 918012802 /nfs/dbraw/zinc/01/28/02/918012802.db2.gz MQUQTQRBLWRDAE-NEPJUHHUSA-N 1 0 293.371 -0.162 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CN1CCOCC1 ZINC001485139706 918012861 /nfs/dbraw/zinc/01/28/61/918012861.db2.gz LHGUPZKUXBWEIG-OLZOCXBDSA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001485153071 918013622 /nfs/dbraw/zinc/01/36/22/918013622.db2.gz KRNFSALFQKSFGT-MNOVXSKESA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001485153072 918013857 /nfs/dbraw/zinc/01/38/57/918013857.db2.gz KRNFSALFQKSFGT-QWRGUYRKSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001485153052 918014223 /nfs/dbraw/zinc/01/42/23/918014223.db2.gz KKIDBQFTRBXMSX-VHSXEESVSA-N 1 0 275.374 -0.958 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001485150917 918014302 /nfs/dbraw/zinc/01/43/02/918014302.db2.gz XKZCNHOVNDQYQP-BDAKNGLRSA-N 1 0 258.343 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ncc[nH]1 ZINC001485147989 918014413 /nfs/dbraw/zinc/01/44/13/918014413.db2.gz RCAYYYOTZMMEBY-ZJUUUORDSA-N 1 0 277.328 -0.745 20 30 CBEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001485151753 918015266 /nfs/dbraw/zinc/01/52/66/918015266.db2.gz BKKHLPHMEYFCNY-WDEREUQCSA-N 1 0 271.361 -0.240 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001485150932 918016056 /nfs/dbraw/zinc/01/60/56/918016056.db2.gz XKZCNHOVNDQYQP-RKDXNWHRSA-N 1 0 258.343 -0.853 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccnnc1 ZINC001485199997 918022688 /nfs/dbraw/zinc/02/26/88/918022688.db2.gz HENSWBHKMBQJRO-WDEREUQCSA-N 1 0 291.355 -0.125 20 30 CBEDRO Cc1conc1C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N 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295.383 -0.401 20 30 CBEDRO CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001485338666 918081583 /nfs/dbraw/zinc/08/15/83/918081583.db2.gz PARGKJPSYJPDAD-MNOVXSKESA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001485337626 918081717 /nfs/dbraw/zinc/08/17/17/918081717.db2.gz ZGALIIUCWADUQI-MNOVXSKESA-N 1 0 253.346 -0.042 20 30 CBEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001485357536 918093759 /nfs/dbraw/zinc/09/37/59/918093759.db2.gz OSLAXBUJRKPLFJ-BDAKNGLRSA-N 1 0 268.317 -0.793 20 30 CBEDRO C=CCN1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485422706 918119429 /nfs/dbraw/zinc/11/94/29/918119429.db2.gz TYUWGVSYQIWWDY-UHFFFAOYSA-N 1 0 279.384 -0.179 20 30 CBEDRO C#CC[NH2+][C@H](CCN(C)C(=O)c1nnn(C)n1)C(C)C ZINC001485437165 918121670 /nfs/dbraw/zinc/12/16/70/918121670.db2.gz MJZGAIOPENCVDM-LLVKDONJSA-N 1 0 278.360 -0.080 20 30 CBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)CNC(=O)CC)C1 ZINC001485498206 918132991 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C#CC[NH2+][C@H](CCNC(=O)CN1CCNC(=O)C1)C(C)C ZINC001485788299 918189683 /nfs/dbraw/zinc/18/96/83/918189683.db2.gz QZXKFZAOBLNGRR-CYBMUJFWSA-N 1 0 294.399 -0.828 20 30 CBEDRO C=C(Cl)C[NH2+]CCCOCCNC(=O)C(N)=O ZINC001485794493 918190262 /nfs/dbraw/zinc/19/02/62/918190262.db2.gz PBLBNXVKFJFCJR-UHFFFAOYSA-N 1 0 263.725 -0.663 20 30 CBEDRO CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]CC(=O)NCC#N ZINC001485782103 918191335 /nfs/dbraw/zinc/19/13/35/918191335.db2.gz JUQBJIPPDAZRER-VXGBXAGGSA-N 1 0 293.371 -0.094 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)C[C@H]1CC(=O)NC1=O)C(C)C ZINC001485793317 918192023 /nfs/dbraw/zinc/19/20/23/918192023.db2.gz OVNYVYCUMWHKQY-NWDGAFQWSA-N 1 0 293.367 -0.207 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CC ZINC001485795652 918192393 /nfs/dbraw/zinc/19/23/93/918192393.db2.gz HLSMNOAILBXRJZ-GFCCVEGCSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@@]1(C)CCNC1=O ZINC001485794371 918192495 /nfs/dbraw/zinc/19/24/95/918192495.db2.gz MMERKMVJZHXUMX-HNNXBMFYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001485812938 918194653 /nfs/dbraw/zinc/19/46/53/918194653.db2.gz DMMYOUWTVXCBHR-STQMWFEESA-N 1 0 277.368 -0.028 20 30 CBEDRO C=CCn1cc(C(=O)N(C)[C@@H](C[NH2+]CCO)C2CC2)nn1 ZINC001485829808 918197860 /nfs/dbraw/zinc/19/78/60/918197860.db2.gz SCFQJVLGUKYYPV-ZDUSSCGKSA-N 1 0 293.371 -0.103 20 30 CBEDRO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CSCC#N ZINC001485848098 918201912 /nfs/dbraw/zinc/20/19/12/918201912.db2.gz OLFQQALNAVPVPZ-JTQLQIEISA-N 1 0 286.401 -0.184 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001485855252 918206433 /nfs/dbraw/zinc/20/64/33/918206433.db2.gz KPPLQMZWYHSWIM-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCOCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001485856241 918207991 /nfs/dbraw/zinc/20/79/91/918207991.db2.gz QQLAROUOBMQVQE-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)COC(C)C ZINC001485856335 918209953 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C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1ccoc1 ZINC001485973468 918258213 /nfs/dbraw/zinc/25/82/13/918258213.db2.gz OCBVRIAXPXMGGV-CMPLNLGQSA-N 1 0 295.339 -0.349 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CN(C)CCO1 ZINC001485981785 918273126 /nfs/dbraw/zinc/27/31/26/918273126.db2.gz FLABSKVDNJARJE-QWHCGFSZSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001485990611 918284127 /nfs/dbraw/zinc/28/41/27/918284127.db2.gz WJTSYDGQRJCNEW-VXGBXAGGSA-N 1 0 281.360 -0.128 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001485990478 918286425 /nfs/dbraw/zinc/28/64/25/918286425.db2.gz VAJMSTAIAFHQFH-UWVGGRQHSA-N 1 0 253.306 -0.908 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001485993247 918289662 /nfs/dbraw/zinc/28/96/62/918289662.db2.gz DFFKVIQIBICORP-AAEUAGOBSA-N 1 0 295.383 -0.620 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C1CC(OCC)C1 ZINC001485992579 918289945 /nfs/dbraw/zinc/28/99/45/918289945.db2.gz PEXGIULSVRRZML-CPCZMJQVSA-N 1 0 268.357 -0.109 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cnn(C)c1C ZINC001486001080 918296355 /nfs/dbraw/zinc/29/63/55/918296355.db2.gz YCOXGAQYYUGCDU-CQSZACIVSA-N 1 0 292.383 -0.249 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccnc2ccnn21 ZINC001486001735 918296463 /nfs/dbraw/zinc/29/64/63/918296463.db2.gz KOOFGFSLFIZYIX-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001486004044 918297918 /nfs/dbraw/zinc/29/79/18/918297918.db2.gz DXXMULGPXIUTSP-STQMWFEESA-N 1 0 285.363 -0.490 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1cnn2c1CCCC2 ZINC001486004471 918297985 /nfs/dbraw/zinc/29/79/85/918297985.db2.gz JONIOSHMLGASLL-ZDUSSCGKSA-N 1 0 290.367 -0.538 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C(F)F ZINC001486005277 918299109 /nfs/dbraw/zinc/29/91/09/918299109.db2.gz UKNFPUMHGCRQHS-MRVPVSSYSA-N 1 0 286.282 -0.329 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2ccncc12 ZINC001486003343 918299135 /nfs/dbraw/zinc/29/91/35/918299135.db2.gz DEXBZPPAEOMPTL-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001486009897 918301535 /nfs/dbraw/zinc/30/15/35/918301535.db2.gz DTELELUSKDREBG-STQMWFEESA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001486009896 918303704 /nfs/dbraw/zinc/30/37/04/918303704.db2.gz DTELELUSKDREBG-QWHCGFSZSA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001486016387 918305770 /nfs/dbraw/zinc/30/57/70/918305770.db2.gz FHIQEZKBFHBGAI-JTQLQIEISA-N 1 0 293.323 -0.913 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001486014369 918307065 /nfs/dbraw/zinc/30/70/65/918307065.db2.gz HOWNZRYOZTVEEZ-QWRGUYRKSA-N 1 0 269.345 -0.702 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001486013231 918307423 /nfs/dbraw/zinc/30/74/23/918307423.db2.gz BDRLSNRJBPGGKV-LLVKDONJSA-N 1 0 277.324 -0.911 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cn2cccnc2n1 ZINC001486012872 918307461 /nfs/dbraw/zinc/30/74/61/918307461.db2.gz KFFXCKORXQNXNW-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001486013926 918307477 /nfs/dbraw/zinc/30/74/77/918307477.db2.gz IGUXEXDYPFKRLM-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001486023915 918313226 /nfs/dbraw/zinc/31/32/26/918313226.db2.gz XDYSVSJVYMXFKI-GHMZBOCLSA-N 1 0 284.360 -0.957 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)cc1 ZINC001486024165 918315069 /nfs/dbraw/zinc/31/50/69/918315069.db2.gz ZJUSANPNSVMTQN-FZMZJTMJSA-N 1 0 276.336 -0.271 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001486023150 918316092 /nfs/dbraw/zinc/31/60/92/918316092.db2.gz QDCUZXMHCIIKHY-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)cc1 ZINC001486024098 918316666 /nfs/dbraw/zinc/31/66/66/918316666.db2.gz YGHJBYGFGRRXLL-ZDUSSCGKSA-N 1 0 289.335 -0.906 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001486027212 918320246 /nfs/dbraw/zinc/32/02/46/918320246.db2.gz KPKVNNMACRCNPL-UONOGXRCSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC1(C)C ZINC001486024995 918320313 /nfs/dbraw/zinc/32/03/13/918320313.db2.gz FJLCDMZIBZANQY-NWDGAFQWSA-N 1 0 297.399 -0.209 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C)nn1CC ZINC001486036037 918327594 /nfs/dbraw/zinc/32/75/94/918327594.db2.gz HPLJYZRSQGTKNV-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001486034818 918329449 /nfs/dbraw/zinc/32/94/49/918329449.db2.gz VHMGPHZXURZDTK-CHWSQXEVSA-N 1 0 269.389 -0.029 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C)[nH]c1=O ZINC001486038176 918334320 /nfs/dbraw/zinc/33/43/20/918334320.db2.gz JZOVQPRNQKOKGR-SNVBAGLBSA-N 1 0 263.297 -0.591 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)c1cnon1 ZINC001486042600 918337134 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C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCNS(C)(=O)=O)C1 ZINC001486112580 918365982 /nfs/dbraw/zinc/36/59/82/918365982.db2.gz QTRFLRHGVRVRRM-QWRGUYRKSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001486112738 918366673 /nfs/dbraw/zinc/36/66/73/918366673.db2.gz SVIVCZWLUVIQGD-GHMZBOCLSA-N 1 0 262.317 -0.725 20 30 CBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)C[C@@H]1C ZINC001486104206 918366837 /nfs/dbraw/zinc/36/68/37/918366837.db2.gz KDGDGQCULMCDBB-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@H]1C ZINC001486108685 918367093 /nfs/dbraw/zinc/36/70/93/918367093.db2.gz KDMSBOHVLIQFMF-NEPJUHHUSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001486104864 918367984 /nfs/dbraw/zinc/36/79/84/918367984.db2.gz GUAFSQLMTROJCE-PWSUYJOCSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CCOCCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001486111406 918370023 /nfs/dbraw/zinc/37/00/23/918370023.db2.gz 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C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CC(C)(C)O ZINC001496057386 920019517 /nfs/dbraw/zinc/01/95/17/920019517.db2.gz PDPQBCGMZMHZQJ-JTQLQIEISA-N 1 0 284.360 -0.776 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cc1nnc(C)[nH]1 ZINC001496054403 920019985 /nfs/dbraw/zinc/01/99/85/920019985.db2.gz NNIUOBJBIJEYHD-NSHDSACASA-N 1 0 293.371 -0.258 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)NC(C)=O ZINC001496167408 920034531 /nfs/dbraw/zinc/03/45/31/920034531.db2.gz OBNGOVOJOKTBQE-JQWIXIFHSA-N 1 0 253.346 -0.029 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001496158152 920035846 /nfs/dbraw/zinc/03/58/46/920035846.db2.gz PUHBCBDRJHKTBF-IUODEOHRSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1ncc[nH]1 ZINC001496195068 920041657 /nfs/dbraw/zinc/04/16/57/920041657.db2.gz WYMZRYFJRIMTNP-LLVKDONJSA-N 1 0 291.355 -0.862 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001496209729 920042564 /nfs/dbraw/zinc/04/25/64/920042564.db2.gz DKVKYADYTBQIBH-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001496209728 920044105 /nfs/dbraw/zinc/04/41/05/920044105.db2.gz DKVKYADYTBQIBH-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1ccccc1=O ZINC001496235702 920046975 /nfs/dbraw/zinc/04/69/75/920046975.db2.gz VNUSKFONXGIBPM-LBPRGKRZSA-N 1 0 261.325 -0.082 20 30 CBEDRO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CS(=O)(=O)NC ZINC001496302035 920055214 /nfs/dbraw/zinc/05/52/14/920055214.db2.gz VUFAEKITOVMJMI-NSHDSACASA-N 1 0 289.401 -0.711 20 30 CBEDRO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1[NH2+]CC(N)=O ZINC001496331342 920059409 /nfs/dbraw/zinc/05/94/09/920059409.db2.gz SIPFXGWRIZHEHT-VHSXEESVSA-N 1 0 284.385 -0.445 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001496328197 920059425 /nfs/dbraw/zinc/05/94/25/920059425.db2.gz CDJNDBVXUXQAIZ-NWDGAFQWSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001496426886 920070083 /nfs/dbraw/zinc/07/00/83/920070083.db2.gz DAFXGJOBURIXJW-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001496481175 920074071 /nfs/dbraw/zinc/07/40/71/920074071.db2.gz UVAAZRVHRQRTRJ-GHMZBOCLSA-N 1 0 251.330 -0.288 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(C)=O ZINC001496464708 920074506 /nfs/dbraw/zinc/07/45/06/920074506.db2.gz LWMKFOQEDNRRIV-DGCLKSJQSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[N@H+](C)CCC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001496494589 920075346 /nfs/dbraw/zinc/07/53/46/920075346.db2.gz FHKNXBAFNWXJFH-UHFFFAOYSA-N 1 0 290.371 -0.133 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)COC)C(C)C ZINC001496513164 920079108 /nfs/dbraw/zinc/07/91/08/920079108.db2.gz IQAINXRUAOBAMH-NSHDSACASA-N 1 0 269.345 -0.887 20 30 CBEDRO CC(C)[C@@H](CNC(=O)c1cocn1)[NH2+]CC(=O)NCC#N ZINC001496538283 920083703 /nfs/dbraw/zinc/08/37/03/920083703.db2.gz QOJFOMVDZXKUKO-SNVBAGLBSA-N 1 0 293.327 -0.342 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001496598286 920094377 /nfs/dbraw/zinc/09/43/77/920094377.db2.gz KLXIYONTAVVRNW-UWVGGRQHSA-N 1 0 252.318 -0.969 20 30 CBEDRO CC#CC[N@@H+](C)CCN(C)C(=O)CNC(=O)CC ZINC001496679380 920110602 /nfs/dbraw/zinc/11/06/02/920110602.db2.gz KOFJIKFXAMLGFT-UHFFFAOYSA-N 1 0 253.346 -0.074 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001496717239 920120281 /nfs/dbraw/zinc/12/02/81/920120281.db2.gz LXMRMQHWGAGMQQ-UHFFFAOYSA-N 1 0 283.372 -0.189 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001496828043 920138100 /nfs/dbraw/zinc/13/81/00/920138100.db2.gz XKRTWTGLZWCVDA-UHFFFAOYSA-N 1 0 293.371 -0.696 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cnnn1 ZINC001496872664 920144780 /nfs/dbraw/zinc/14/47/80/920144780.db2.gz DEEJLLVZLLZOAG-RYUDHWBXSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)NC ZINC001496885357 920146163 /nfs/dbraw/zinc/14/61/63/920146163.db2.gz BZJKVINVUKSNKB-RYUDHWBXSA-N 1 0 280.372 -0.187 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CNC(=O)NC ZINC001496885353 920147338 /nfs/dbraw/zinc/14/73/38/920147338.db2.gz BZJKVINVUKSNKB-NEPJUHHUSA-N 1 0 280.372 -0.187 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)F ZINC001496926663 920151731 /nfs/dbraw/zinc/15/17/31/920151731.db2.gz SUUZRICLSRLYAR-VIFPVBQESA-N 1 0 275.324 -0.897 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001496934236 920158040 /nfs/dbraw/zinc/15/80/40/920158040.db2.gz UBADKSVHPUTYQZ-SNVBAGLBSA-N 1 0 260.309 -0.549 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnsn1 ZINC001496944599 920165670 /nfs/dbraw/zinc/16/56/70/920165670.db2.gz PWBDRLORHXNEIL-QMMMGPOBSA-N 1 0 256.331 -0.206 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001496954783 920171776 /nfs/dbraw/zinc/17/17/76/920171776.db2.gz JRDVOCUHSGNBCR-WDEREUQCSA-N 1 0 284.360 -0.919 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001496955118 920174100 /nfs/dbraw/zinc/17/41/00/920174100.db2.gz ZKVKPBNSLAIAHE-GFCCVEGCSA-N 1 0 264.329 -0.718 20 30 CBEDRO CC(C)(C)/C=C\C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001496955060 920174326 /nfs/dbraw/zinc/17/43/26/920174326.db2.gz MESHCWLQLTWVCR-DOGVGXBMSA-N 1 0 296.371 -0.705 20 30 CBEDRO CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)cn1 ZINC001496955367 920176292 /nfs/dbraw/zinc/17/62/92/920176292.db2.gz OTWYGBUBDGPWNY-YPMHNXCESA-N 1 0 293.371 -0.328 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001496955328 920176804 /nfs/dbraw/zinc/17/68/04/920176804.db2.gz OFJRZNKWFPDZQM-MWLCHTKSSA-N 1 0 265.317 -0.854 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001496958516 920177912 /nfs/dbraw/zinc/17/79/12/920177912.db2.gz QRYFNYKIYOEHQJ-OLZOCXBDSA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001496970913 920186365 /nfs/dbraw/zinc/18/63/65/920186365.db2.gz ZYUIMCIHCLFQHI-LLVKDONJSA-N 1 0 265.288 -0.076 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cncnc1 ZINC001496969612 920186687 /nfs/dbraw/zinc/18/66/87/920186687.db2.gz UKSUGFBDZKLJCX-NSHDSACASA-N 1 0 250.302 -0.267 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001496969637 920187155 /nfs/dbraw/zinc/18/71/55/920187155.db2.gz GCSHCRCDFDWCGC-LLVKDONJSA-N 1 0 250.302 -0.349 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnnn1C ZINC001496977691 920191376 /nfs/dbraw/zinc/19/13/76/920191376.db2.gz YXOGGESFFMNVOJ-VIFPVBQESA-N 1 0 253.306 -0.929 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001496996933 920197803 /nfs/dbraw/zinc/19/78/03/920197803.db2.gz CTVSPYIDIADUKH-SNVBAGLBSA-N 1 0 264.329 -0.304 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001496996785 920198936 /nfs/dbraw/zinc/19/89/36/920198936.db2.gz ZQFAKPIXTXABCL-SECBINFHSA-N 1 0 257.334 -0.859 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001496998237 920202850 /nfs/dbraw/zinc/20/28/50/920202850.db2.gz NAUOABHOLIQGIW-JTQLQIEISA-N 1 0 280.328 -0.720 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1CC ZINC001497010116 920204372 /nfs/dbraw/zinc/20/43/72/920204372.db2.gz WVOHYLFZNMTTSN-JTQLQIEISA-N 1 0 266.345 -0.151 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001497009150 920204902 /nfs/dbraw/zinc/20/49/02/920204902.db2.gz PECIWENKAZWNQT-JTQLQIEISA-N 1 0 276.340 -0.398 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1C ZINC001497010136 920205948 /nfs/dbraw/zinc/20/59/48/920205948.db2.gz XIYVWKYVXQDNMX-LLVKDONJSA-N 1 0 262.313 -0.511 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001497013442 920208023 /nfs/dbraw/zinc/20/80/23/920208023.db2.gz XZTYTHIHEYDVBI-AAEUAGOBSA-N 1 0 278.356 -0.302 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001497016080 920208199 /nfs/dbraw/zinc/20/81/99/920208199.db2.gz CTQWPOJSCJLCJY-JTQLQIEISA-N 1 0 280.328 -0.868 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001497013587 920209082 /nfs/dbraw/zinc/20/90/82/920209082.db2.gz TULLRKWYFBUACT-QWRGUYRKSA-N 1 0 290.385 -0.936 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001497034951 920218907 /nfs/dbraw/zinc/21/89/07/920218907.db2.gz RIVKMQDQDVAYQC-IONNQARKSA-N 1 0 277.752 -0.683 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001497034641 920220385 /nfs/dbraw/zinc/22/03/85/920220385.db2.gz RCVXHYRAORUQEE-ZYHUDNBSSA-N 1 0 297.399 -0.068 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001497033793 920220424 /nfs/dbraw/zinc/22/04/24/920220424.db2.gz MOTPIIVFNOMWKK-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497051335 920229625 /nfs/dbraw/zinc/22/96/25/920229625.db2.gz QNQYNWTYWKZIFT-MNOVXSKESA-N 1 0 297.355 -0.785 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001497055338 920233266 /nfs/dbraw/zinc/23/32/66/920233266.db2.gz XUFGRLBUJNEFFI-LLVKDONJSA-N 1 0 293.371 -0.263 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001497062796 920233933 /nfs/dbraw/zinc/23/39/33/920233933.db2.gz FVJUFENPDNRNSK-OLZOCXBDSA-N 1 0 278.356 -0.076 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001497062801 920234796 /nfs/dbraw/zinc/23/47/96/920234796.db2.gz FVJUFENPDNRNSK-STQMWFEESA-N 1 0 278.356 -0.076 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001497062793 920235141 /nfs/dbraw/zinc/23/51/41/920235141.db2.gz FVJUFENPDNRNSK-CHWSQXEVSA-N 1 0 278.356 -0.076 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001497081193 920242261 /nfs/dbraw/zinc/24/22/61/920242261.db2.gz QMDQJEBQROSBOW-JSGCOSHPSA-N 1 0 284.356 -0.871 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001497080383 920245123 /nfs/dbraw/zinc/24/51/23/920245123.db2.gz LOTOMMQKSOGYJB-SNVBAGLBSA-N 1 0 289.763 -0.668 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091642 920247122 /nfs/dbraw/zinc/24/71/22/920247122.db2.gz RZVWXPDBUQHZSZ-JTQLQIEISA-N 1 0 267.333 -0.620 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)COC[C@H]1CCCO1 ZINC001497124882 920255421 /nfs/dbraw/zinc/25/54/21/920255421.db2.gz CKPQRAWFSWOSTL-QWHCGFSZSA-N 1 0 284.356 -0.728 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)COC[C@H]1CCCO1 ZINC001497124880 920257946 /nfs/dbraw/zinc/25/79/46/920257946.db2.gz CKPQRAWFSWOSTL-CHWSQXEVSA-N 1 0 284.356 -0.728 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001497126070 920258497 /nfs/dbraw/zinc/25/84/97/920258497.db2.gz KXJAXNHUEAKNCD-MFKMUULPSA-N 1 0 292.383 -0.160 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001497155826 920262945 /nfs/dbraw/zinc/26/29/45/920262945.db2.gz XZUWGUXXHFZCFT-QWRGUYRKSA-N 1 0 264.333 -0.078 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001497240915 920273327 /nfs/dbraw/zinc/27/33/27/920273327.db2.gz JOJUXUGRJQZVKU-VXGBXAGGSA-N 1 0 283.372 -0.368 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001497240906 920274505 /nfs/dbraw/zinc/27/45/05/920274505.db2.gz JOJUXUGRJQZVKU-NWDGAFQWSA-N 1 0 283.372 -0.368 20 30 CBEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001497298558 920282754 /nfs/dbraw/zinc/28/27/54/920282754.db2.gz HLBYDYSEGNCBBW-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO CCN(CC[NH2+]CCS(C)(=O)=O)C(=O)[C@@H](C)C#N ZINC001497361823 920291774 /nfs/dbraw/zinc/29/17/74/920291774.db2.gz JQFWDHAUTJYBFA-JTQLQIEISA-N 1 0 275.374 -0.371 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)C#CC1CC1 ZINC001497390555 920297175 /nfs/dbraw/zinc/29/71/75/920297175.db2.gz JMCIZIITNSKCJS-UHFFFAOYSA-N 1 0 294.355 -0.707 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(CC)CC[NH2+][C@H]1CCN(C)C1=O ZINC001497378384 920297693 /nfs/dbraw/zinc/29/76/93/920297693.db2.gz ZQDCKPKAZJDYFH-SWLSCSKDSA-N 1 0 297.399 -0.018 20 30 CBEDRO CCN(CC[NH2+]CC(N)=O)C(=O)C#CC(C)(C)C ZINC001497390320 920298761 /nfs/dbraw/zinc/29/87/61/920298761.db2.gz GPMSEXCADWFQQS-UHFFFAOYSA-N 1 0 253.346 -0.041 20 30 CBEDRO CCN(CC[NH2+]C[C@@H](O)COC)C(=O)c1c[nH]c(C#N)c1 ZINC001497376343 920299019 /nfs/dbraw/zinc/29/90/19/920299019.db2.gz GMHAPFIPSDNZOT-CYBMUJFWSA-N 1 0 294.355 -0.055 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)c1cc(=O)n(C)cn1 ZINC001497403746 920303574 /nfs/dbraw/zinc/30/35/74/920303574.db2.gz NHDJOWOEEMTNCQ-UHFFFAOYSA-N 1 0 276.340 -0.145 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cncn1C ZINC001497416763 920306632 /nfs/dbraw/zinc/30/66/32/920306632.db2.gz HVMFWDBTINBLSS-UHFFFAOYSA-N 1 0 291.355 -0.779 20 30 CBEDRO C[C@H](C#N)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497550470 920335508 /nfs/dbraw/zinc/33/55/08/920335508.db2.gz ZSVVBJWZLQLZGV-VMZHVLLKSA-N 1 0 263.301 -0.952 20 30 CBEDRO CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)c1c[nH]c(C#N)c1 ZINC001497561427 920336519 /nfs/dbraw/zinc/33/65/19/920336519.db2.gz CDEWGDHBIBLHBT-ONEGZZNKSA-N 1 0 289.339 -0.150 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001497559868 920336951 /nfs/dbraw/zinc/33/69/51/920336951.db2.gz ZMURWMRDOWRQIY-HMDXOVGESA-N 1 0 289.339 -0.104 20 30 CBEDRO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497550468 920337193 /nfs/dbraw/zinc/33/71/93/920337193.db2.gz ZSVVBJWZLQLZGV-PBKGFPTLSA-N 1 0 263.301 -0.952 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)c1cn(C)nn1 ZINC001497576702 920342905 /nfs/dbraw/zinc/34/29/05/920342905.db2.gz UDEYUNNHKDXJCW-ARJAWSKDSA-N 1 0 277.328 -0.660 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)CN1CCCS1(=O)=O ZINC001497596184 920347629 /nfs/dbraw/zinc/34/76/29/920347629.db2.gz ALRUXEYJUJPHOR-SNAWJCMRSA-N 1 0 299.396 -0.693 20 30 CBEDRO C=C(Cl)C[NH2+]C/C=C/CNC(=O)c1nnn(C)n1 ZINC001497649986 920357670 /nfs/dbraw/zinc/35/76/70/920357670.db2.gz IROKUIUNDPSELC-ONEGZZNKSA-N 1 0 270.724 -0.162 20 30 CBEDRO C=C1CC(C)(C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)C1 ZINC001497674320 920365260 /nfs/dbraw/zinc/36/52/60/920365260.db2.gz SVZIEKBDNGMBLT-ONEGZZNKSA-N 1 0 294.355 -0.200 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cscn1 ZINC001497803625 920393028 /nfs/dbraw/zinc/39/30/28/920393028.db2.gz BBFOGFWIJOAIQV-MRVPVSSYSA-N 1 0 281.341 -0.509 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccon1 ZINC001497799749 920393070 /nfs/dbraw/zinc/39/30/70/920393070.db2.gz NXZASBKJIXLOKK-SNVBAGLBSA-N 1 0 278.312 -0.939 20 30 CBEDRO COc1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)on1 ZINC001497807242 920396166 /nfs/dbraw/zinc/39/61/66/920396166.db2.gz UAOSTPHZOSTUQX-MRVPVSSYSA-N 1 0 295.299 -0.969 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC(C)(C)O ZINC001497812991 920398285 /nfs/dbraw/zinc/39/82/85/920398285.db2.gz NSWWVMJQUTVEDD-SNVBAGLBSA-N 1 0 271.361 -0.456 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1CCC(O)CC1 ZINC001497812430 920401196 /nfs/dbraw/zinc/40/11/96/920401196.db2.gz HQNGZPFSTZCZLR-VOMCLLRMSA-N 1 0 296.371 -0.728 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCC(F)F ZINC001497856914 920411017 /nfs/dbraw/zinc/41/10/17/920411017.db2.gz PPZVIUWSDTWEQJ-SECBINFHSA-N 1 0 275.299 -0.125 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001497869288 920415837 /nfs/dbraw/zinc/41/58/37/920415837.db2.gz QBJBKBXAONLYJK-SECBINFHSA-N 1 0 279.344 -0.272 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497918526 920422690 /nfs/dbraw/zinc/42/26/90/920422690.db2.gz AAVWUDARSPQGMH-RKDXNWHRSA-N 1 0 297.808 -0.229 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001497975439 920431975 /nfs/dbraw/zinc/43/19/75/920431975.db2.gz JBJDOYAROSVKBW-LLVKDONJSA-N 1 0 291.417 -0.062 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001497991357 920432540 /nfs/dbraw/zinc/43/25/40/920432540.db2.gz ZIABZUICVDDDHZ-VXGBXAGGSA-N 1 0 275.356 -0.042 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CSCC#N ZINC001498013248 920441506 /nfs/dbraw/zinc/44/15/06/920441506.db2.gz AZRSXWDBDWGVAE-VHSXEESVSA-N 1 0 284.385 -0.384 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CSCC#N ZINC001498016129 920443336 /nfs/dbraw/zinc/44/33/36/920443336.db2.gz RVQZOXNDLZZTEB-NSHDSACASA-N 1 0 298.412 -0.040 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)COC(C)C ZINC001498018901 920445891 /nfs/dbraw/zinc/44/58/91/920445891.db2.gz CLZGRTXMDFGCBU-NSHDSACASA-N 1 0 269.345 -0.745 20 30 CBEDRO C[C@@H](C[NH2+]CCCO)NC(=O)c1c[nH]c(C#N)c1 ZINC001498033718 920456118 /nfs/dbraw/zinc/45/61/18/920456118.db2.gz YLMUDMTXPXYDDZ-VIFPVBQESA-N 1 0 250.302 -0.023 20 30 CBEDRO Cc1ccn(C)c1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001498035973 920456132 /nfs/dbraw/zinc/45/61/32/920456132.db2.gz MBYVOFMOAXKXJY-NSHDSACASA-N 1 0 291.355 -0.319 20 30 CBEDRO CCOCCNC(=O)C[NH2+]C[C@H](C)NC(=O)C#CC(C)C ZINC001498040069 920458712 /nfs/dbraw/zinc/45/87/12/920458712.db2.gz RGMFAPGRNRFNAL-ZDUSSCGKSA-N 1 0 297.399 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001498049075 920464359 /nfs/dbraw/zinc/46/43/59/920464359.db2.gz WAVRVTXFESWHDU-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)COC ZINC001498074053 920466060 /nfs/dbraw/zinc/46/60/60/920466060.db2.gz GEPCKOOMUDLPEQ-NSHDSACASA-N 1 0 283.372 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001498066993 920467480 /nfs/dbraw/zinc/46/74/80/920467480.db2.gz ZHFIMFDZJJVPAA-QMMMGPOBSA-N 1 0 285.325 -0.732 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H](COC)OC ZINC001498108635 920481512 /nfs/dbraw/zinc/48/15/12/920481512.db2.gz DUOTZDDAFZVZRF-RYUDHWBXSA-N 1 0 272.345 -0.608 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC ZINC001498115491 920486626 /nfs/dbraw/zinc/48/66/26/920486626.db2.gz SAGNIVBFOVVLKM-TUAOUCFPSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001498159231 920504155 /nfs/dbraw/zinc/50/41/55/920504155.db2.gz RVPHEBZOYDDMDY-UWVGGRQHSA-N 1 0 294.359 -0.868 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1C ZINC001498177624 920509066 /nfs/dbraw/zinc/50/90/66/920509066.db2.gz WQFOVEKYHCEGKI-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001498207496 920522237 /nfs/dbraw/zinc/52/22/37/920522237.db2.gz UQXSQUZPDJNZLG-VHSXEESVSA-N 1 0 265.313 -0.843 20 30 CBEDRO C[C@H](CN(C)CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001498237394 920523404 /nfs/dbraw/zinc/52/34/04/920523404.db2.gz XLKYMLZXYMDYMB-SECBINFHSA-N 1 0 279.300 -0.636 20 30 CBEDRO C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)c1cnns1 ZINC001498237429 920523602 /nfs/dbraw/zinc/52/36/02/920523602.db2.gz YJTUGVMCQXFOPW-QMMMGPOBSA-N 1 0 296.356 -0.772 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001498299456 920547418 /nfs/dbraw/zinc/54/74/18/920547418.db2.gz KFPWTLRGIIBGPW-NWDGAFQWSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001498362273 920563869 /nfs/dbraw/zinc/56/38/69/920563869.db2.gz KLGMIKLLUNRZIM-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=CCOCC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001498379889 920569003 /nfs/dbraw/zinc/56/90/03/920569003.db2.gz PUBAEVHFQNZWLV-UHFFFAOYSA-N 1 0 283.372 -0.142 20 30 CBEDRO CC[C@H](C(=O)N1CC(NC(=O)[C@@H](C)C#N)C1)[NH+](C)C ZINC001498384251 920570431 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C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)nn1 ZINC000573795564 354920893 /nfs/dbraw/zinc/92/08/93/354920893.db2.gz JGBXQUVVVRZZCV-CYBMUJFWSA-N 1 0 279.344 -0.349 20 30 CBEDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C1=O ZINC000573685122 354918587 /nfs/dbraw/zinc/91/85/87/354918587.db2.gz UXGYSPZERMZGLD-LLVKDONJSA-N 1 0 298.306 -0.162 20 30 CBEDRO Cc1nccn1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000573676183 354918996 /nfs/dbraw/zinc/91/89/96/354918996.db2.gz GKWCSVPHXKJIKV-ZDUSSCGKSA-N 1 0 265.361 -0.013 20 30 CBEDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000584829576 355038842 /nfs/dbraw/zinc/03/88/42/355038842.db2.gz DBSUJTAYKJEHLG-DTWKUNHWSA-N 1 0 277.328 -0.858 20 30 CBEDRO C[C@@H](CCC#N)C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000589820873 355070210 /nfs/dbraw/zinc/07/02/10/355070210.db2.gz GWQFODWGJDZNRF-WDEREUQCSA-N 1 0 264.329 -0.431 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590009486 355072502 /nfs/dbraw/zinc/07/25/02/355072502.db2.gz 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(C#N)nn1 ZINC000591986398 355123926 /nfs/dbraw/zinc/12/39/26/355123926.db2.gz VYMZABIRHVKODR-JTQLQIEISA-N 1 0 274.328 -0.096 20 30 CBEDRO COCC#CCN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000591045658 355090695 /nfs/dbraw/zinc/09/06/95/355090695.db2.gz FEPPIUQCHWJIPM-GFCCVEGCSA-N 1 0 254.330 -0.327 20 30 CBEDRO CC[NH+]1CCC(NC(=O)CN2CC[C@](O)(CC#N)C2)CC1 ZINC000592145581 355133877 /nfs/dbraw/zinc/13/38/77/355133877.db2.gz XYPBIQFBSDQTJQ-OAHLLOKOSA-N 1 0 294.399 -0.063 20 30 CBEDRO CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152223 355134925 /nfs/dbraw/zinc/13/49/25/355134925.db2.gz VXWCHPIBUINNPU-NSHDSACASA-N 1 0 275.374 -0.382 20 30 CBEDRO C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000592432250 355153935 /nfs/dbraw/zinc/15/39/35/355153935.db2.gz SPTHDCLLQALKRL-VIFPVBQESA-N 1 0 269.326 -0.303 20 30 CBEDRO N#CCc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000592442009 355154922 /nfs/dbraw/zinc/15/49/22/355154922.db2.gz DXZJCQOTGVSXDG-CYBMUJFWSA-N 1 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XZKSQSIUKWXBIZ-JTQLQIEISA-N 1 0 262.317 -0.120 20 30 CBEDRO N#Cc1ncn(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000593911990 355229140 /nfs/dbraw/zinc/22/91/40/355229140.db2.gz LMQSILUROBRPKA-GWCFXTLKSA-N 1 0 274.328 -0.263 20 30 CBEDRO CCN(C[C@H](C)C#N)C(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027861 355235461 /nfs/dbraw/zinc/23/54/61/355235461.db2.gz SXGWOGMAPVBJRJ-HZSPNIEDSA-N 1 0 294.399 -0.255 20 30 CBEDRO N#CCNC(=O)CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594247763 355239241 /nfs/dbraw/zinc/23/92/41/355239241.db2.gz LKTQMAVJJCTXAW-RYUDHWBXSA-N 1 0 293.371 -0.058 20 30 CBEDRO CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1=O ZINC000594447647 355248838 /nfs/dbraw/zinc/24/88/38/355248838.db2.gz USVMOABKNSNPEL-JTQLQIEISA-N 1 0 252.318 -0.302 20 30 CBEDRO C[NH+](C)[C@H]1CN(C(=O)c2cccc(C#N)n2)C[C@@H]1O ZINC000594358958 355243769 /nfs/dbraw/zinc/24/37/69/355243769.db2.gz AHCJCIGMWOEVCJ-RYUDHWBXSA-N 1 0 260.297 -0.300 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594392398 355245279 /nfs/dbraw/zinc/24/52/79/355245279.db2.gz GKERGJTZMAVMMM-WDEREUQCSA-N 1 0 260.297 -0.223 20 30 CBEDRO N#Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c[nH]1 ZINC000594393828 355245374 /nfs/dbraw/zinc/24/53/74/355245374.db2.gz RLHUXAAKZDZXKT-NWDGAFQWSA-N 1 0 260.297 -0.223 20 30 CBEDRO N#Cc1cccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000594388089 355245384 /nfs/dbraw/zinc/24/53/84/355245384.db2.gz WTNLRAAOMJQMKG-NWDGAFQWSA-N 1 0 272.308 -0.156 20 30 CBEDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000594941634 355270014 /nfs/dbraw/zinc/27/00/14/355270014.db2.gz XRPZEXWGCNDAAH-KXUCPTDWSA-N 1 0 263.301 -0.063 20 30 CBEDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cncc(C#N)c1 ZINC000595119710 355272248 /nfs/dbraw/zinc/27/22/48/355272248.db2.gz ZLBBGRXGMUMABH-QMMMGPOBSA-N 1 0 254.315 -0.161 20 30 CBEDRO N#C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CCO1 ZINC000594525169 355251371 /nfs/dbraw/zinc/25/13/71/355251371.db2.gz OMFVQXBRHOUHEM-RNFRBKRXSA-N 1 0 266.223 -0.190 20 30 CBEDRO N#Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1N ZINC000594586737 355254123 /nfs/dbraw/zinc/25/41/23/355254123.db2.gz BWRZVMPNVPMTOC-LLVKDONJSA-N 1 0 259.313 -0.209 20 30 CBEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC(=O)NCC#N)C1 ZINC000595700568 355301522 /nfs/dbraw/zinc/30/15/22/355301522.db2.gz BWELDGRZLUSIJB-JTQLQIEISA-N 1 0 281.360 -0.202 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@@H](C)[NH2+]1 ZINC000595984596 355335512 /nfs/dbraw/zinc/33/55/12/355335512.db2.gz WRFMJPYSLHSPSG-GYSYKLTISA-N 1 0 278.356 -0.043 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595765453 355305283 /nfs/dbraw/zinc/30/52/83/355305283.db2.gz LFLOFHVBMXBOEI-OUJBWJOFSA-N 1 0 267.329 -0.157 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H](C)[NH2+]1 ZINC000595984599 355335689 /nfs/dbraw/zinc/33/56/89/355335689.db2.gz WRFMJPYSLHSPSG-WDMOLILDSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@H](C)[NH2+]1 ZINC000595984598 355335764 /nfs/dbraw/zinc/33/57/64/355335764.db2.gz WRFMJPYSLHSPSG-UHIISALHSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000595989020 355336322 /nfs/dbraw/zinc/33/63/22/355336322.db2.gz HTEUBBRKQMTKHP-MISXGVKJSA-N 1 0 294.355 -0.677 20 30 CBEDRO C=CCNC(=O)NC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000595910759 355317693 /nfs/dbraw/zinc/31/76/93/355317693.db2.gz XYDJEJBJSZFCEH-SSDOTTSWSA-N 1 0 282.266 -0.180 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](C)C[NH2+]1 ZINC000595989192 355336436 /nfs/dbraw/zinc/33/64/36/355336436.db2.gz INUKGDAOGGYGKT-GYSYKLTISA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000595988434 355336533 /nfs/dbraw/zinc/33/65/33/355336533.db2.gz GJFXXLSWAHKZTB-GFCCVEGCSA-N 1 0 250.302 -0.820 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@@H](C)C[NH2+]1 ZINC000595989204 355336559 /nfs/dbraw/zinc/33/65/59/355336559.db2.gz INUKGDAOGGYGKT-SUNKGSAMSA-N 1 0 278.356 -0.043 20 30 CBEDRO N#Cc1ccc(CCNC(=O)CNC(=O)C[NH3+])cc1 ZINC000595937674 355321553 /nfs/dbraw/zinc/32/15/53/355321553.db2.gz IXCGKHAUAVUXDI-UHFFFAOYSA-N 1 0 260.297 -0.708 20 30 CBEDRO N#Cc1ncn(CCNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000595263357 355276286 /nfs/dbraw/zinc/27/62/86/355276286.db2.gz ULYODFHQIMUQPQ-RKDXNWHRSA-N 1 0 281.295 -0.770 20 30 CBEDRO N#CCNC(=O)CNC(=O)NCC1([NH3+])CCCC1 ZINC000595263282 355276535 /nfs/dbraw/zinc/27/65/35/355276535.db2.gz RNWOJPSXXAJIIO-UHFFFAOYSA-N 1 0 253.306 -0.803 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000595273382 355277053 /nfs/dbraw/zinc/27/70/53/355277053.db2.gz LEHJWZDELZJZRK-PWSUYJOCSA-N 1 0 252.318 -0.080 20 30 CBEDRO N#CC1(CNC(=O)C(=O)NCC[NH3+])CCCCC1 ZINC000595282731 355278572 /nfs/dbraw/zinc/27/85/72/355278572.db2.gz ZNKJVALCPMKJDP-UHFFFAOYSA-N 1 0 252.318 -0.348 20 30 CBEDRO N#Cc1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1N ZINC000596013274 355338664 /nfs/dbraw/zinc/33/86/64/355338664.db2.gz 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CBEDRO C=CCNC(=O)CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627205143 356604814 /nfs/dbraw/zinc/60/48/14/356604814.db2.gz NAPDOSNCNCLMMT-UWVGGRQHSA-N 1 0 254.334 -0.272 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627307046 356623520 /nfs/dbraw/zinc/62/35/20/356623520.db2.gz WHKWVCVKXVJVAV-RYUDHWBXSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627327731 356626674 /nfs/dbraw/zinc/62/66/74/356626674.db2.gz HMVLHKSZKALWMA-VXGBXAGGSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627421592 356643548 /nfs/dbraw/zinc/64/35/48/356643548.db2.gz NRGOPIGJVYCUNG-RYUDHWBXSA-N 1 0 299.371 -0.825 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453957 356648643 /nfs/dbraw/zinc/64/86/43/356648643.db2.gz CLCXKHKYRHKSIL-UHFFFAOYSA-N 1 0 299.371 -0.729 20 30 CBEDRO C=CCCCN(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627471384 356651353 /nfs/dbraw/zinc/65/13/53/356651353.db2.gz 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220193959 /nfs/dbraw/zinc/19/39/59/220193959.db2.gz JSICSUKENSNXQN-ZDUSSCGKSA-N 1 0 296.415 -0.050 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070078539 220195756 /nfs/dbraw/zinc/19/57/56/220195756.db2.gz HMRNENAHBJTYRR-NXEZZACHSA-N 1 0 254.334 -0.320 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341925 220199903 /nfs/dbraw/zinc/19/99/03/220199903.db2.gz FBUCFOAMZRFMRW-UWVGGRQHSA-N 1 0 254.334 -0.333 20 30 CBEDRO [NH2+]=C(NCCNC(=O)C1CC1)N1CCSCC1 ZINC000104155883 220201711 /nfs/dbraw/zinc/20/17/11/220201711.db2.gz XANOTDYWRRRJFM-UHFFFAOYSA-N 1 0 256.375 -0.124 20 30 CBEDRO CC[NH+]=C(NC[C@@H](C)C(=O)OC)N1CCN(C(C)=O)CC1 ZINC000103894264 220201848 /nfs/dbraw/zinc/20/18/48/220201848.db2.gz GKNYNMAUEHOGIV-LLVKDONJSA-N 1 0 298.387 -0.075 20 30 CBEDRO C=CCOc1ccccc1CNC(=O)CNC(=O)C[NH3+] ZINC000124865296 220209237 /nfs/dbraw/zinc/20/92/37/220209237.db2.gz PCJAXBGLAZGYGJ-UHFFFAOYSA-N 1 0 277.324 -0.058 20 30 CBEDRO C#CCSCCNC(=O)NC[C@@](C)(O)C[NH+](C)C 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C=CCNC(=O)NC(=O)C[NH2+]C1(CO)CCCC1 ZINC000179065104 220223736 /nfs/dbraw/zinc/22/37/36/220223736.db2.gz ZOYMSSCHTDAIIL-UHFFFAOYSA-N 1 0 255.318 -0.107 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000161770819 220217732 /nfs/dbraw/zinc/21/77/32/220217732.db2.gz NQMJMOIFXDMSKW-JTQLQIEISA-N 1 0 257.334 -0.005 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CC1(C#N)CC1 ZINC000166132811 220218094 /nfs/dbraw/zinc/21/80/94/220218094.db2.gz GZWHCBBEFHADRJ-SNVBAGLBSA-N 1 0 275.374 -0.478 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000161770702 220219122 /nfs/dbraw/zinc/21/91/22/220219122.db2.gz NQMJMOIFXDMSKW-SNVBAGLBSA-N 1 0 257.334 -0.005 20 30 CBEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185851413 220229639 /nfs/dbraw/zinc/22/96/39/220229639.db2.gz RTFJOFOAUKQZNV-RYUDHWBXSA-N 1 0 283.372 -0.550 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000180902548 220225070 /nfs/dbraw/zinc/22/50/70/220225070.db2.gz BIHCNYNYNDTKKO-UHFFFAOYSA-N 1 0 277.368 -0.026 20 30 CBEDRO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H](CO)O1 ZINC000229962520 220237103 /nfs/dbraw/zinc/23/71/03/220237103.db2.gz KWHMETFOAHCLHN-RYUDHWBXSA-N 1 0 269.345 -0.170 20 30 CBEDRO COC(=O)NCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000497153418 373752404 /nfs/dbraw/zinc/75/24/04/373752404.db2.gz OBKFATPCOMCPTR-SNVBAGLBSA-N 1 0 258.322 -0.862 20 30 CBEDRO C=C(C)CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514850123 373767517 /nfs/dbraw/zinc/76/75/17/373767517.db2.gz DVSJFBIBDDUHPR-UHFFFAOYSA-N 1 0 254.334 -0.316 20 30 CBEDRO C=CCNC(=O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000516192436 373807856 /nfs/dbraw/zinc/80/78/56/373807856.db2.gz ASOPMJBUXBYZIK-UHFFFAOYSA-N 1 0 279.344 -0.523 20 30 CBEDRO COC(=O)c1ccc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C#N)n1 ZINC000515072116 373777251 /nfs/dbraw/zinc/77/72/51/373777251.db2.gz HNBQPUBULKIEDX-STQMWFEESA-N 1 0 290.323 -0.149 20 30 CBEDRO C#CCNC(=[NH+]C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261674960 220243793 /nfs/dbraw/zinc/24/37/93/220243793.db2.gz HAUNYZDWAWOSPD-CYBMUJFWSA-N 1 0 264.373 -0.151 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261613630 220244423 /nfs/dbraw/zinc/24/44/23/220244423.db2.gz SUNWEXGFRUVBFI-ZDUSSCGKSA-N 1 0 266.345 -0.316 20 30 CBEDRO C[NH+]=C(NC1CCC1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261720191 220244451 /nfs/dbraw/zinc/24/44/51/220244451.db2.gz KQYAGNWBOSFJNZ-UHFFFAOYSA-N 1 0 281.404 -0.004 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N(C)C[C@@H]1CCOC1 ZINC000261652577 220244695 /nfs/dbraw/zinc/24/46/95/220244695.db2.gz MYWZVVZKXWBAIS-JTQLQIEISA-N 1 0 277.390 -0.425 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CC1)N(C)Cc1ccon1 ZINC000261767283 220244749 /nfs/dbraw/zinc/24/47/49/220244749.db2.gz NOZYHQBHESUWIS-UHFFFAOYSA-N 1 0 265.317 -0.040 20 30 CBEDRO [NH2+]=C(NC[C@@H](O)C(F)(F)F)NC[C@H]1CCCO1 ZINC000261701492 220244759 /nfs/dbraw/zinc/24/47/59/220244759.db2.gz CPNDFQBMDJHKJF-RNFRBKRXSA-N 1 0 255.240 -0.007 20 30 CBEDRO C[NH+]=C(NCCOC)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000261881539 220246641 /nfs/dbraw/zinc/24/66/41/220246641.db2.gz PJOHAGHKQWMTCK-JTQLQIEISA-N 1 0 292.405 -0.921 20 30 CBEDRO NC(=O)C1(CNC(=[NH2+])NCC2CCC2)CCOCC1 ZINC000262000998 220246486 /nfs/dbraw/zinc/24/64/86/220246486.db2.gz PRAKRPVOFFFJTQ-UHFFFAOYSA-N 1 0 268.361 -0.027 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N(C)Cc1ccon1 ZINC000261807317 220245979 /nfs/dbraw/zinc/24/59/79/220245979.db2.gz SDNKUQHVOLQDEW-UHFFFAOYSA-N 1 0 263.305 -0.027 20 30 CBEDRO C[NH+]=C(NC[C@H]1CCn2ncc(C(N)=O)c2C1)NC1CC1 ZINC000261886831 220246312 /nfs/dbraw/zinc/24/63/12/220246312.db2.gz BHAHMFIWFILSIO-VIFPVBQESA-N 1 0 290.371 -0.128 20 30 CBEDRO C[NH+]=C(NCC1(O)CCC1)N1CCO[C@@H](COC)C1 ZINC000261930552 220246746 /nfs/dbraw/zinc/24/67/46/220246746.db2.gz LMHRXJGAIVZMOO-LLVKDONJSA-N 1 0 271.361 -0.176 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1cccn1C ZINC000262247148 220247972 /nfs/dbraw/zinc/24/79/72/220247972.db2.gz BFAOYSURVCYYTA-UHFFFAOYSA-N 1 0 251.334 -0.222 20 30 CBEDRO C=CC[NH+]=C(NCC(=O)N(C)C)N1CCN(CC)C(=O)C1 ZINC000262254771 220248302 /nfs/dbraw/zinc/24/83/02/220248302.db2.gz COKRZDJFIYRJFJ-UHFFFAOYSA-N 1 0 295.387 -0.630 20 30 CBEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CCO[C@@H](COC)C1 ZINC000262039319 220248536 /nfs/dbraw/zinc/24/85/36/220248536.db2.gz YCGFFEVJFSZZKW-LLVKDONJSA-N 1 0 296.375 -0.454 20 30 CBEDRO CCS(=O)(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000262015311 220248565 /nfs/dbraw/zinc/24/85/65/220248565.db2.gz VWDUQJIATPAUBT-UHFFFAOYSA-N 1 0 265.404 -0.215 20 30 CBEDRO C[C@@H]1CCCN(C(=[NH2+])NCCN2CCNC(=O)C2)C1 ZINC000262295272 220249077 /nfs/dbraw/zinc/24/90/77/220249077.db2.gz ZLTLGHSKDTVPOX-LLVKDONJSA-N 1 0 267.377 -0.535 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCC1=CCCOC1 ZINC000262339793 220249337 /nfs/dbraw/zinc/24/93/37/220249337.db2.gz YCMLCYXLFPHFAM-UHFFFAOYSA-N 1 0 282.388 -0.170 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCS(=O)(=O)C2)CCO1 ZINC000262310328 220249462 /nfs/dbraw/zinc/24/94/62/220249462.db2.gz NOASUPLCSLERQF-QWRGUYRKSA-N 1 0 289.401 -0.153 20 30 CBEDRO CNC(=O)C1CCC(NC(NCC(=O)N(C)C)=[NH+]C)CC1 ZINC000262304702 220249534 /nfs/dbraw/zinc/24/95/34/220249534.db2.gz OLIUGPNJACJDKO-UHFFFAOYSA-N 1 0 297.403 -0.456 20 30 CBEDRO C[C@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)N(C)C)C1 ZINC000262347576 220249713 /nfs/dbraw/zinc/24/97/13/220249713.db2.gz YHBPOJKMTBRWCI-JTQLQIEISA-N 1 0 276.406 -0.076 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCCS(=O)(=O)CC2CC2)CCO1 ZINC000262424696 220251380 /nfs/dbraw/zinc/25/13/80/220251380.db2.gz CFDMGQBTUQTZNI-SNVBAGLBSA-N 1 0 289.401 -0.153 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCc2cc(C(N)=O)co2)CCO1 ZINC000262440327 220251446 /nfs/dbraw/zinc/25/14/46/220251446.db2.gz HIRCASASDZJBGH-MRVPVSSYSA-N 1 0 266.301 -0.086 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@]2(CCO)CCOC2)CCO1 ZINC000262421019 220251527 /nfs/dbraw/zinc/25/15/27/220251527.db2.gz BAUAMUNYSUQLOI-AAEUAGOBSA-N 1 0 271.361 -0.189 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(C(N)=O)CCOCC2)CCO1 ZINC000262484457 220251556 /nfs/dbraw/zinc/25/15/56/220251556.db2.gz SFNOBADGQMOMNB-SNVBAGLBSA-N 1 0 284.360 -0.696 20 30 CBEDRO CNC(=O)CNC(NC[C@H](O)c1ccc(C)o1)=[NH+]C ZINC000262385815 220251735 /nfs/dbraw/zinc/25/17/35/220251735.db2.gz MBLNPZAEQAEYFM-VIFPVBQESA-N 1 0 268.317 -0.468 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC2(S(C)(=O)=O)CCC2)CCO1 ZINC000262504723 220252346 /nfs/dbraw/zinc/25/23/46/220252346.db2.gz ZMQNZAUXKKSZSQ-JTQLQIEISA-N 1 0 289.401 -0.011 20 30 CBEDRO COc1cc(CNC2=[NH+]C[C@H](C)N2)ccc1OCC(N)=O ZINC000262628883 220252578 /nfs/dbraw/zinc/25/25/78/220252578.db2.gz FGRCWSCVPRIRDV-VIFPVBQESA-N 1 0 292.339 -0.003 20 30 CBEDRO C#CCNC(=[NH+]CC)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262576203 220252588 /nfs/dbraw/zinc/25/25/88/220252588.db2.gz OLTWTLHFBNJYPE-CYBMUJFWSA-N 1 0 292.383 -0.092 20 30 CBEDRO [NH2+]=C(NCC1(O)CCC1)N1CCN(c2ncccn2)CC1 ZINC000262509206 220252689 /nfs/dbraw/zinc/25/26/89/220252689.db2.gz CNRKEARADFBFMV-UHFFFAOYSA-N 1 0 290.371 -0.172 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC(=O)NCC(F)(F)F)CCO1 ZINC000262491152 220253232 /nfs/dbraw/zinc/25/32/32/220253232.db2.gz VAOUTVUADBJUIX-ZETCQYMHSA-N 1 0 282.266 -0.300 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@H](COC)C1 ZINC000262504864 220253292 /nfs/dbraw/zinc/25/32/92/220253292.db2.gz ZPNUOSUKGZEETO-JTQLQIEISA-N 1 0 277.390 -0.425 20 30 CBEDRO C[NH2+]C[C@@H](O)CNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563712995 374325634 /nfs/dbraw/zinc/32/56/34/374325634.db2.gz FLOPXVKXDKHXER-GFCCVEGCSA-N 1 0 297.380 -0.498 20 30 CBEDRO C=CCCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566508772 374331089 /nfs/dbraw/zinc/33/10/89/374331089.db2.gz LLHOGSPMMRSSOZ-MNOVXSKESA-N 1 0 266.345 -0.094 20 30 CBEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC#N)CC2)C1 ZINC000578024182 374351012 /nfs/dbraw/zinc/35/10/12/374351012.db2.gz PYSVJTMQBJDSSG-GFCCVEGCSA-N 1 0 250.346 -0.004 20 30 CBEDRO C[C@H]1CC[N@H+](CC(=O)N2CCN(CC#N)CC2)C1 ZINC000578024183 374351026 /nfs/dbraw/zinc/35/10/26/374351026.db2.gz PYSVJTMQBJDSSG-LBPRGKRZSA-N 1 0 250.346 -0.004 20 30 CBEDRO C=CCCOCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644097703 374488064 /nfs/dbraw/zinc/48/80/64/374488064.db2.gz UDIOQBCFMJQAKS-UHFFFAOYSA-N 1 0 255.318 -0.873 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)NCC[N@@H+](C)CCOC ZINC000645249561 374653692 /nfs/dbraw/zinc/65/36/92/374653692.db2.gz GJUXGNUUVSXXKM-LBPRGKRZSA-N 1 0 271.361 -0.362 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000645308202 374660312 /nfs/dbraw/zinc/66/03/12/374660312.db2.gz OXADJMDJZADWJM-CHWSQXEVSA-N 1 0 283.372 -0.219 20 30 CBEDRO C=CCN1CC[C@H](N2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)C1=O ZINC000646088444 374740876 /nfs/dbraw/zinc/74/08/76/374740876.db2.gz JNIMDDBQDKRBEF-HZMBPMFUSA-N 1 0 292.339 -0.553 20 30 CBEDRO C=C[C@@H](O)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000646959965 374851451 /nfs/dbraw/zinc/85/14/51/374851451.db2.gz NIEVNAMLVSTJIX-NWDGAFQWSA-N 1 0 255.362 -0.325 20 30 CBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[N@@H+](C)CC)C1=O ZINC000264955027 190147844 /nfs/dbraw/zinc/14/78/44/190147844.db2.gz YOSADFJHNSZTAK-UHFFFAOYSA-N 1 0 296.327 -0.969 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001321532693 803781689 /nfs/dbraw/zinc/78/16/89/803781689.db2.gz MRJXMFNANPIZPL-GHMZBOCLSA-N 1 0 251.330 -0.418 20 30 CBEDRO C[C@H](C(=O)N1CCN(CC#N)CC1)[NH+]1CC(C)C1 ZINC000574701866 335041271 /nfs/dbraw/zinc/04/12/71/335041271.db2.gz NCZUEXAYECHAKW-GFCCVEGCSA-N 1 0 250.346 -0.006 20 30 CBEDRO CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@@H]1CCC[N@H+](C)C1 ZINC000266059509 190226942 /nfs/dbraw/zinc/22/69/42/190226942.db2.gz YMRNQRQTGHWNPX-SNVBAGLBSA-N 1 0 291.355 -0.514 20 30 CBEDRO CN(c1c(C#N)c(=O)n(C)c(=O)n1C)[C@H]1CCC[N@H+](C)C1 ZINC000266059507 190227237 /nfs/dbraw/zinc/22/72/37/190227237.db2.gz YMRNQRQTGHWNPX-JTQLQIEISA-N 1 0 291.355 -0.514 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC2([S@@](C)=O)CC2)CCO1 ZINC000262757795 220254501 /nfs/dbraw/zinc/25/45/01/220254501.db2.gz CAEVXAGTCUSLHB-HUTHGQBESA-N 1 0 259.375 -0.067 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)N1 ZINC000262689486 220255060 /nfs/dbraw/zinc/25/50/60/220255060.db2.gz ZPSUAJVGFOOVFV-KXUCPTDWSA-N 1 0 274.390 -0.358 20 30 CBEDRO CNC(=O)CNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]C ZINC000262727193 220255998 /nfs/dbraw/zinc/25/59/98/220255998.db2.gz AOFFZASFICHEJA-SECBINFHSA-N 1 0 253.350 -0.866 20 30 CBEDRO C[C@H]1C[NH+]=C(NCCNS(=O)(=O)c2cccnc2)N1 ZINC000262687738 220256089 /nfs/dbraw/zinc/25/60/89/220256089.db2.gz ZBCMAXDAFQNZJV-VIFPVBQESA-N 1 0 283.357 -0.703 20 30 CBEDRO CC[NH+]=C(NCCN1C(=O)CNC1=O)NC1CC1 ZINC000263023027 220259953 /nfs/dbraw/zinc/25/99/53/220259953.db2.gz AVVDGXFBIGZHTJ-UHFFFAOYSA-N 1 0 253.306 -0.744 20 30 CBEDRO C[NH+]=C(NCc1nccn1C)N1CCN(C(C)=O)CC1 ZINC000263249022 220259980 /nfs/dbraw/zinc/25/99/80/220259980.db2.gz OCDFWYOLEYCIFI-UHFFFAOYSA-N 1 0 278.360 -0.340 20 30 CBEDRO C[NH+]=C(NCCn1cccn1)N1CCN(C(C)=O)CC1 ZINC000263256568 220260338 /nfs/dbraw/zinc/26/03/38/220260338.db2.gz RCDNTUZTBBQOLW-UHFFFAOYSA-N 1 0 278.360 -0.377 20 30 CBEDRO [NH2+]=C(NCC(=O)NCc1ccco1)N1CCOCC1 ZINC000263240374 220260852 /nfs/dbraw/zinc/26/08/52/220260852.db2.gz LAXLPDCGHLKXEZ-UHFFFAOYSA-N 1 0 266.301 -0.457 20 30 CBEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1CCC(=O)N(C)C1 ZINC000262804127 220257618 /nfs/dbraw/zinc/25/76/18/220257618.db2.gz RQAOKDYJHRWZFJ-LBPRGKRZSA-N 1 0 292.387 -0.023 20 30 CBEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262804126 220258103 /nfs/dbraw/zinc/25/81/03/220258103.db2.gz RQAOKDYJHRWZFJ-GFCCVEGCSA-N 1 0 292.387 -0.023 20 30 CBEDRO [NH2+]=C(NCC1(N2CCOCC2)CC1)N1CCOCC1 ZINC000262836302 220258306 /nfs/dbraw/zinc/25/83/06/220258306.db2.gz QURXXMPNOXYNPB-UHFFFAOYSA-N 1 0 268.361 -0.502 20 30 CBEDRO C[NH+]=C(NCCO)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262817380 220258516 /nfs/dbraw/zinc/25/85/16/220258516.db2.gz WZYWBCVMCJGKQC-GHMZBOCLSA-N 1 0 270.377 -0.209 20 30 CBEDRO [NH2+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCOCC1 ZINC000264087985 220262939 /nfs/dbraw/zinc/26/29/39/220262939.db2.gz KCSMWRXDRHLUEJ-UHFFFAOYSA-N 1 0 292.339 -0.231 20 30 CBEDRO CN(C)S(=O)(=O)c1ccc(CNC(N)=[NH2+])cc1 ZINC000264086925 220263061 /nfs/dbraw/zinc/26/30/61/220263061.db2.gz JTBNJVYXKXZFDG-UHFFFAOYSA-N 1 0 256.331 -0.290 20 30 CBEDRO CNC(=[NH2+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000264078765 220263579 /nfs/dbraw/zinc/26/35/79/220263579.db2.gz GNHGAGZBZHGSOP-UHFFFAOYSA-N 1 0 275.356 -0.131 20 30 CBEDRO C[C@H](CO)CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264129279 220264206 /nfs/dbraw/zinc/26/42/06/220264206.db2.gz XMAPIBWAIZBZIA-NSHDSACASA-N 1 0 278.360 -0.458 20 30 CBEDRO NS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000264083084 220264494 /nfs/dbraw/zinc/26/44/94/220264494.db2.gz IVILLHZNIUMHOJ-UHFFFAOYSA-N 1 0 298.368 -0.519 20 30 CBEDRO CN(CC#N)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000266150941 220265452 /nfs/dbraw/zinc/26/54/52/220265452.db2.gz NXMAPDIPGXRIMQ-SNVBAGLBSA-N 1 0 252.318 -0.622 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1c[nH]nc1C ZINC000265006557 220266057 /nfs/dbraw/zinc/26/60/57/220266057.db2.gz YQRATPBHLAWKDM-UHFFFAOYSA-N 1 0 280.376 -0.285 20 30 CBEDRO C#CC(C)(C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000266788352 190280663 /nfs/dbraw/zinc/28/06/63/190280663.db2.gz AKHOHDGDNKAPSP-LLVKDONJSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[NH+](CC#C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000267631597 190342808 /nfs/dbraw/zinc/34/28/08/190342808.db2.gz GYSSPYWTJAVMHB-GFCCVEGCSA-N 1 0 262.269 -0.279 20 30 CBEDRO Cc1cc(S(=O)(=O)NCCNC(N)=[NH2+])c(C)s1 ZINC000269381810 220272319 /nfs/dbraw/zinc/27/23/19/220272319.db2.gz PPWVTLZEGJRMFJ-UHFFFAOYSA-N 1 0 276.387 -0.083 20 30 CBEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C#N)C1 ZINC000355820690 532984826 /nfs/dbraw/zinc/98/48/26/532984826.db2.gz ADSGGTILITUQIG-JTQLQIEISA-N 1 0 277.328 -0.258 20 30 CBEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1cnc(C#N)n1 ZINC000426741273 208050893 /nfs/dbraw/zinc/05/08/93/208050893.db2.gz KMPYSJLSLMIJRM-SNVBAGLBSA-N 1 0 264.333 -0.004 20 30 CBEDRO CC[NH+](CC)C[C@H](C)NC(=O)Cn1cnc(C#N)n1 ZINC000426741177 208051049 /nfs/dbraw/zinc/05/10/49/208051049.db2.gz KMPYSJLSLMIJRM-JTQLQIEISA-N 1 0 264.333 -0.004 20 30 CBEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000343044398 285069039 /nfs/dbraw/zinc/06/90/39/285069039.db2.gz WRWUQAWSRLFBSW-VXGBXAGGSA-N 1 0 296.371 -0.511 20 30 CBEDRO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)c1 ZINC000444143539 208401759 /nfs/dbraw/zinc/40/17/59/208401759.db2.gz RBLQQPQZEXMZSZ-GFCCVEGCSA-N 1 0 271.324 -0.036 20 30 CBEDRO C=CCN1CC[C@@H](N2CCC[C@]3(C2)NC(=O)NC3=O)C1=O ZINC000281210884 220282235 /nfs/dbraw/zinc/28/22/35/220282235.db2.gz DDVSUGLJKHVRPW-QMTHXVAHSA-N 1 0 292.339 -0.553 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](O)C2)CC1 ZINC000283219732 220292521 /nfs/dbraw/zinc/29/25/21/220292521.db2.gz OIEQEEIEYUVSOZ-ZDUSSCGKSA-N 1 0 295.383 -0.264 20 30 CBEDRO C#CCN(CC#N)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000281996931 220287086 /nfs/dbraw/zinc/28/70/86/220287086.db2.gz NFVSCBWYDBTBDG-LBPRGKRZSA-N 1 0 276.340 -0.618 20 30 CBEDRO C[N@H+](CCCO)CC(=O)N(CCC#N)CCC#N ZINC000282015751 220289820 /nfs/dbraw/zinc/28/98/20/220289820.db2.gz YHSRFTBFEYMURB-UHFFFAOYSA-N 1 0 252.318 -0.043 20 30 CBEDRO C=CCCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000286827122 220298170 /nfs/dbraw/zinc/29/81/70/220298170.db2.gz CWAQXRDWLFEEFF-ZDUSSCGKSA-N 1 0 296.415 -0.227 20 30 CBEDRO NS(=O)(=O)c1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000287180465 220298855 /nfs/dbraw/zinc/29/88/55/220298855.db2.gz KDYDHHXOMDLTHV-UHFFFAOYSA-N 1 0 298.368 -0.519 20 30 CBEDRO C=CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000286379945 220298863 /nfs/dbraw/zinc/29/88/63/220298863.db2.gz BDERPDOGOLYFJO-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CO)CC1 ZINC000286705207 220298931 /nfs/dbraw/zinc/29/89/31/220298931.db2.gz QCZCZFBORUTLMV-CYBMUJFWSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=CCNC(=O)CN1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289175211 220303571 /nfs/dbraw/zinc/30/35/71/220303571.db2.gz FPIHLRGDMFYEQZ-SECBINFHSA-N 1 0 265.317 -0.420 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nocc1C ZINC000293286461 220312972 /nfs/dbraw/zinc/31/29/72/220312972.db2.gz GLJBTOXZDPESTI-UHFFFAOYSA-N 1 0 278.312 -0.007 20 30 CBEDRO C=C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000292789085 220313086 /nfs/dbraw/zinc/31/30/86/220313086.db2.gz UCHTZDNBRYVAFC-MNOVXSKESA-N 1 0 269.345 -0.940 20 30 CBEDRO CCCNC(=[NH2+])NCc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000290763207 220307339 /nfs/dbraw/zinc/30/73/39/220307339.db2.gz ZOCDNGQKZQLWGN-GHMZBOCLSA-N 1 0 282.348 -0.321 20 30 CBEDRO CCCCNC(=[NH2+])NCCCn1cc(CO)nn1 ZINC000290444395 220307903 /nfs/dbraw/zinc/30/79/03/220307903.db2.gz CBLBGYLQBJWXLM-UHFFFAOYSA-N 1 0 254.338 -0.135 20 30 CBEDRO C=C[C@@H](CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000291212014 220308360 /nfs/dbraw/zinc/30/83/60/220308360.db2.gz VHZSOAYCSRTJFY-JTQLQIEISA-N 1 0 277.328 -0.286 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291811524 220309342 /nfs/dbraw/zinc/30/93/42/220309342.db2.gz NLYPRWJYRDMUSF-NSHDSACASA-N 1 0 281.356 -0.144 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)N(C)CC ZINC000297063430 220320239 /nfs/dbraw/zinc/32/02/39/220320239.db2.gz YFHGFGVHOJHQLM-UHFFFAOYSA-N 1 0 268.361 -0.281 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCC(C)(C)C(N)=O)CC1 ZINC000299341377 220324327 /nfs/dbraw/zinc/32/43/27/220324327.db2.gz KLNKNOIWXVLQOJ-UHFFFAOYSA-N 1 0 265.357 -0.041 20 30 CBEDRO CNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303258357 220325015 /nfs/dbraw/zinc/32/50/15/220325015.db2.gz KUZYPHDAVTZSND-NSHDSACASA-N 1 0 258.391 -0.272 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)CCC(=O)N1CCOCC1 ZINC000294118039 220314726 /nfs/dbraw/zinc/31/47/26/220314726.db2.gz ZMOYSUYIRYAHAG-UHFFFAOYSA-N 1 0 295.383 -0.303 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000293874902 220315187 /nfs/dbraw/zinc/31/51/87/220315187.db2.gz CCGBFEIKLSEJBF-MNOVXSKESA-N 1 0 267.329 -0.909 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)CCN1C(=O)CCC1=O ZINC000293958737 220315620 /nfs/dbraw/zinc/31/56/20/220315620.db2.gz KTRRNDUPLFVYHU-UHFFFAOYSA-N 1 0 279.340 -0.403 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC000293998039 220315648 /nfs/dbraw/zinc/31/56/48/220315648.db2.gz OMMTVOSOMKMYGR-WDEREUQCSA-N 1 0 252.314 -0.133 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)c1cc2n(n1)CCO2 ZINC000293965030 220315802 /nfs/dbraw/zinc/31/58/02/220315802.db2.gz LKVFDEPVMBUZEJ-UHFFFAOYSA-N 1 0 262.313 -0.040 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)CCn1ncn(C)c1=O ZINC000294097922 220315829 /nfs/dbraw/zinc/31/58/29/220315829.db2.gz YARHLKGJTHODGM-UHFFFAOYSA-N 1 0 279.344 -0.957 20 30 CBEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000293881417 220316123 /nfs/dbraw/zinc/31/61/23/220316123.db2.gz UEOWYAMBPPXSIB-UHFFFAOYSA-N 1 0 284.385 -0.038 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC000294034308 220316446 /nfs/dbraw/zinc/31/64/46/220316446.db2.gz RTWWHDYDQJYRGD-NSHDSACASA-N 1 0 266.345 -0.399 20 30 CBEDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC(=O)N(C)C2)[N@H+](C)C1 ZINC000329055651 220332132 /nfs/dbraw/zinc/33/21/32/220332132.db2.gz MCFGGGUOYNSFLI-WOPDTQHZSA-N 1 0 298.387 -0.218 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@](C)(O)C1CC1 ZINC000329241759 220332540 /nfs/dbraw/zinc/33/25/40/220332540.db2.gz NVFZLSJAFYNYFF-OCCSQVGLSA-N 1 0 284.404 -0.103 20 30 CBEDRO Cn1ncc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1C#N ZINC000353794947 220333520 /nfs/dbraw/zinc/33/35/20/220333520.db2.gz VJCQLDJGPCILEA-UHFFFAOYSA-N 1 0 290.371 -0.389 20 30 CBEDRO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329365397 220336739 /nfs/dbraw/zinc/33/67/39/220336739.db2.gz JYNFFEAPWDGRJY-MNOVXSKESA-N 1 0 283.376 -0.193 20 30 CBEDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(CO)COC2)C1 ZINC000328609738 220326555 /nfs/dbraw/zinc/32/65/55/220326555.db2.gz NBALGWWTMGSEGG-LLVKDONJSA-N 1 0 271.361 -0.017 20 30 CBEDRO COCC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000328805710 220328194 /nfs/dbraw/zinc/32/81/94/220328194.db2.gz KVRWUCRPLOAHBZ-LBPRGKRZSA-N 1 0 298.387 -0.215 20 30 CBEDRO C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000328919031 220329803 /nfs/dbraw/zinc/32/98/03/220329803.db2.gz LIVFWCWFKZFLGI-TUAOUCFPSA-N 1 0 270.377 -0.087 20 30 CBEDRO CN1CC[C@@H](NC(=O)NCCN2CCSCC2)C1=O ZINC000329469541 220338131 /nfs/dbraw/zinc/33/81/31/220338131.db2.gz XOFJOFPHGOEWGR-SNVBAGLBSA-N 1 0 286.401 -0.231 20 30 CBEDRO CC(C)[NH+]1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000329523260 220339384 /nfs/dbraw/zinc/33/93/84/220339384.db2.gz RNTNFUJUSDDOII-UHFFFAOYSA-N 1 0 297.359 -0.317 20 30 CBEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cnnn2C)[C@H](C)C1 ZINC000329694278 220342241 /nfs/dbraw/zinc/34/22/41/220342241.db2.gz CPSJVJKUGPWTJG-MNOVXSKESA-N 1 0 296.375 -0.384 20 30 CBEDRO CNC(=O)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000329833176 220343262 /nfs/dbraw/zinc/34/32/62/220343262.db2.gz LFJRIEMYKNGPGB-JTQLQIEISA-N 1 0 269.345 -0.001 20 30 CBEDRO CN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C#N ZINC000329991380 220347691 /nfs/dbraw/zinc/34/76/91/220347691.db2.gz JVRXGCXQTKPUIZ-CHWSQXEVSA-N 1 0 277.372 -0.958 20 30 CBEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CCOCC1=O ZINC000329868210 220345209 /nfs/dbraw/zinc/34/52/09/220345209.db2.gz XCTXDKOBGRVLSN-GFCCVEGCSA-N 1 0 298.387 -0.562 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C2(CO)CCOCC2)C1=O ZINC000330383855 220351550 /nfs/dbraw/zinc/35/15/50/220351550.db2.gz KCBCYOYFHVUBOV-LLVKDONJSA-N 1 0 254.330 -0.096 20 30 CBEDRO CC[NH+](CC)CCS(=O)(=O)N1CCOC[C@@H]1C#N ZINC000330474042 220354206 /nfs/dbraw/zinc/35/42/06/220354206.db2.gz HZLGFGPXCNQTRX-NSHDSACASA-N 1 0 275.374 -0.118 20 30 CBEDRO CCn1ncnc1CNC(=O)N(C)CCN1CCOCC1 ZINC000330036664 220348258 /nfs/dbraw/zinc/34/82/58/220348258.db2.gz YKCUIEDLALQQCD-UHFFFAOYSA-N 1 0 296.375 -0.024 20 30 CBEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](O)C[C@H]1CO ZINC000330148502 220348485 /nfs/dbraw/zinc/34/84/85/220348485.db2.gz JLXDRKHRDAOIEF-DLOVCJGASA-N 1 0 269.345 -0.435 20 30 CBEDRO CN1C[C@H](C(=O)NC[C@@](C)(O)CN2CCOCC2)CC1=O ZINC000330039357 220349018 /nfs/dbraw/zinc/34/90/18/220349018.db2.gz FIYJJLUGDNMIAE-BXUZGUMPSA-N 1 0 299.371 -0.496 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000330274747 220350820 /nfs/dbraw/zinc/35/08/20/220350820.db2.gz KPENFEBSIAKWPH-UTUOFQBUSA-N 1 0 284.404 -0.105 20 30 CBEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCO ZINC000330635249 220358313 /nfs/dbraw/zinc/35/83/13/220358313.db2.gz AHISQEAWGZLLOJ-NSHDSACASA-N 1 0 258.366 -0.492 20 30 CBEDRO C[C@@H](CNC(=O)N[C@@H](C)CO)C[NH+]1CCN(C)CC1 ZINC000330636621 220358901 /nfs/dbraw/zinc/35/89/01/220358901.db2.gz BQRFHOPMTMTRAO-RYUDHWBXSA-N 1 0 272.393 -0.246 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(=O)NC(C)(C)C ZINC000330687734 220360268 /nfs/dbraw/zinc/36/02/68/220360268.db2.gz CMVOLVOBGQQGJU-LLVKDONJSA-N 1 0 299.419 -0.350 20 30 CBEDRO CCCN(CCO)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330733382 220361509 /nfs/dbraw/zinc/36/15/09/220361509.db2.gz LOZGONLPNFCDKM-GFCCVEGCSA-N 1 0 272.393 -0.150 20 30 CBEDRO CNC(=O)NC(=O)CC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000330758014 220362091 /nfs/dbraw/zinc/36/20/91/220362091.db2.gz LJRYOZPTMVMPMU-UHFFFAOYSA-N 1 0 294.359 -0.423 20 30 CBEDRO C[C@H](CO)CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330746141 220362673 /nfs/dbraw/zinc/36/26/73/220362673.db2.gz TXDGBEMJRBDGQT-QWRGUYRKSA-N 1 0 258.366 -0.636 20 30 CBEDRO C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+]CCn2cncn2)C[C@H]1C ZINC000330830627 220363118 /nfs/dbraw/zinc/36/31/18/220363118.db2.gz GXCHWKIZNXYWOO-NEPJUHHUSA-N 1 0 296.375 -0.421 20 30 CBEDRO CNC(=O)NCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000330781411 220363491 /nfs/dbraw/zinc/36/34/91/220363491.db2.gz FSXXCGKYMZYJEQ-VIFPVBQESA-N 1 0 254.334 -0.114 20 30 CBEDRO C[NH+](C)[C@H]1CCN(C(=O)NCCN2C(=O)CCC2=O)C1 ZINC000330781780 220364271 /nfs/dbraw/zinc/36/42/71/220364271.db2.gz OWYOYCQYLNOSSP-JTQLQIEISA-N 1 0 282.344 -0.315 20 30 CBEDRO C[C@H](O)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330786306 220364305 /nfs/dbraw/zinc/36/43/05/220364305.db2.gz MYKRXGBFHPWTTN-QWRGUYRKSA-N 1 0 258.366 -0.493 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330866491 220365128 /nfs/dbraw/zinc/36/51/28/220365128.db2.gz OGARUYHAATYLBE-YPMHNXCESA-N 1 0 255.362 -0.325 20 30 CBEDRO C[C@H](CCO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330885162 220365399 /nfs/dbraw/zinc/36/53/99/220365399.db2.gz LMSXYPKKWJSXBR-GHMZBOCLSA-N 1 0 258.366 -0.493 20 30 CBEDRO COC[C@H](O)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000330556306 220356116 /nfs/dbraw/zinc/35/61/16/220356116.db2.gz HHNSETIZQQCJJO-LLVKDONJSA-N 1 0 259.350 -0.018 20 30 CBEDRO CN(CCO)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000330580689 220357346 /nfs/dbraw/zinc/35/73/46/220357346.db2.gz PYLSSAJLEHZYBA-UHFFFAOYSA-N 1 0 272.393 -0.150 20 30 CBEDRO CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC000330901960 220367289 /nfs/dbraw/zinc/36/72/89/220367289.db2.gz RXHFDSKLLOYJHQ-SNVBAGLBSA-N 1 0 286.376 -0.265 20 30 CBEDRO CNC(=O)NC(=O)CC[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000331180744 220372862 /nfs/dbraw/zinc/37/28/62/220372862.db2.gz RQRJLVHKODWNIM-NXEZZACHSA-N 1 0 273.333 -0.492 20 30 CBEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[NH+](C)C ZINC000332460078 220381489 /nfs/dbraw/zinc/38/14/89/220381489.db2.gz JTEGKRZACFMONQ-JTQLQIEISA-N 1 0 262.379 -0.136 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000333008057 220384175 /nfs/dbraw/zinc/38/41/75/220384175.db2.gz AOVDSMRQVBCMOL-UHFFFAOYSA-N 1 0 294.399 -0.473 20 30 CBEDRO CC[N@H+](CCO)CCNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000336897020 220386583 /nfs/dbraw/zinc/38/65/83/220386583.db2.gz STXNUILSTLTVLJ-LLVKDONJSA-N 1 0 292.405 -0.774 20 30 CBEDRO CCN(CCC#N)S(=O)(=O)NCC[N@H+](CC)CCO ZINC000336880333 220385501 /nfs/dbraw/zinc/38/55/01/220385501.db2.gz CBINSMPWJQULKM-UHFFFAOYSA-N 1 0 292.405 -0.629 20 30 CBEDRO CO[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000331283624 220376276 /nfs/dbraw/zinc/37/62/76/220376276.db2.gz KGRZWNMXTWJHGR-GHMZBOCLSA-N 1 0 258.366 -0.229 20 30 CBEDRO CCN(CCC#N)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000336944023 220389448 /nfs/dbraw/zinc/38/94/48/220389448.db2.gz LZTTWRHWYHEGER-NSHDSACASA-N 1 0 292.405 -0.631 20 30 CBEDRO C=CC[C@H](CO)NC(=O)CN1CC[NH+](CC)CC1 ZINC000337073063 220392250 /nfs/dbraw/zinc/39/22/50/220392250.db2.gz OOELQXWHLMNACN-GFCCVEGCSA-N 1 0 255.362 -0.323 20 30 CBEDRO C=CCN1CC[C@@H]([N@H+](C)CC(C)(CO)CO)C1=O ZINC000337164224 220394828 /nfs/dbraw/zinc/39/48/28/220394828.db2.gz XLXIDYNBXOFCAZ-LLVKDONJSA-N 1 0 256.346 -0.304 20 30 CBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)[C@@H]2CCCO2)C1=O ZINC000337235158 220396515 /nfs/dbraw/zinc/39/65/15/220396515.db2.gz LCHLCNIMHYCPQX-TUAOUCFPSA-N 1 0 254.330 -0.097 20 30 CBEDRO CC[N@H+](CCOCCO)CC(=O)NC1(C#N)CCC1 ZINC000337426551 220397145 /nfs/dbraw/zinc/39/71/45/220397145.db2.gz BCUKLTOKHKXKAA-UHFFFAOYSA-N 1 0 269.345 -0.120 20 30 CBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262229515 285204572 /nfs/dbraw/zinc/20/45/72/285204572.db2.gz WODMYNJPOASJRH-GHMZBOCLSA-N 1 0 287.360 -0.152 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419969529 220560234 /nfs/dbraw/zinc/56/02/34/220560234.db2.gz CHAGBEPNGDWPBM-NSHDSACASA-N 1 0 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C=CCNC(=O)CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623031 420439211 /nfs/dbraw/zinc/43/92/11/420439211.db2.gz ZUCPGOVVTVXZIC-SNVBAGLBSA-N 1 0 256.350 -0.039 20 30 CBEDRO COC(=O)[C@](C)(O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000572519963 420456608 /nfs/dbraw/zinc/45/66/08/420456608.db2.gz PWYMWKQPMZDIAF-CYBMUJFWSA-N 1 0 295.343 -0.348 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659714675 420456645 /nfs/dbraw/zinc/45/66/45/420456645.db2.gz OOGVBZZYZCKLDO-GFCCVEGCSA-N 1 0 283.372 -0.046 20 30 CBEDRO COC(=O)[C@@](C)(O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000572519964 420456827 /nfs/dbraw/zinc/45/68/27/420456827.db2.gz PWYMWKQPMZDIAF-ZDUSSCGKSA-N 1 0 295.343 -0.348 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000659718444 420457675 /nfs/dbraw/zinc/45/76/75/420457675.db2.gz PCZAKUBQOJMJCA-LLVKDONJSA-N 1 0 271.361 -0.205 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000659716858 420457804 /nfs/dbraw/zinc/45/78/04/420457804.db2.gz CYKRVDOADFFNOT-JTQLQIEISA-N 1 0 257.334 -0.451 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000659722055 420459588 /nfs/dbraw/zinc/45/95/88/420459588.db2.gz MCTGCHLOJBFGPF-NWDGAFQWSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659725908 420460060 /nfs/dbraw/zinc/46/00/60/420460060.db2.gz ANHBMBZKXOHOSR-QWRGUYRKSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659725909 420460107 /nfs/dbraw/zinc/46/01/07/420460107.db2.gz ANHBMBZKXOHOSR-WDEREUQCSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000659735683 420461960 /nfs/dbraw/zinc/46/19/60/420461960.db2.gz LPEFGGBLSZNRAO-LLVKDONJSA-N 1 0 269.345 -0.355 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000659734987 420462240 /nfs/dbraw/zinc/46/22/40/420462240.db2.gz GYTSEJTUCFCKRK-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000659737218 420463617 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20 30 CBEDRO C#CCN1C(=O)C[C@@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000491788549 262052358 /nfs/dbraw/zinc/05/23/58/262052358.db2.gz XVXKSJGCHOVDLM-SNVBAGLBSA-N 1 0 250.298 -0.358 20 30 CBEDRO CCC[C@H]1C[NH2+]CCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000517102671 264253603 /nfs/dbraw/zinc/25/36/03/264253603.db2.gz GDPCHGIMJPJNSO-JTQLQIEISA-N 1 0 291.355 -0.466 20 30 CBEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000685047525 545079142 /nfs/dbraw/zinc/07/91/42/545079142.db2.gz YFBCSDTWTUQXEI-MNOVXSKESA-N 1 0 262.375 -0.076 20 30 CBEDRO N#Cc1ncccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000236409873 268330200 /nfs/dbraw/zinc/33/02/00/268330200.db2.gz QEUOMTFKMJITKE-UHFFFAOYSA-N 1 0 295.368 -0.863 20 30 CBEDRO C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1[NH+](C)C ZINC000268208180 274591091 /nfs/dbraw/zinc/59/10/91/274591091.db2.gz HVGOBOTVOJLTHO-GXSJLCMTSA-N 1 0 291.355 -0.658 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCCN2CCCS2(=O)=O)CCO1 ZINC000262494179 287835109 /nfs/dbraw/zinc/83/51/09/287835109.db2.gz 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278891526 /nfs/dbraw/zinc/89/15/26/278891526.db2.gz KHIPEDUKQPYXLW-NEPJUHHUSA-N 1 0 294.355 -0.662 20 30 CBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000369307735 289251359 /nfs/dbraw/zinc/25/13/59/289251359.db2.gz XZOYJZZCFIEWAV-RISCZKNCSA-N 1 0 278.356 -0.041 20 30 CBEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000330380934 289317683 /nfs/dbraw/zinc/31/76/83/289317683.db2.gz VICXBXDWGBURHL-RKDXNWHRSA-N 1 0 278.378 -0.739 20 30 CBEDRO C[C@@H]1C[C@@H](NC(=O)NCC(=O)NCC#N)C[N@@H+]1C1CC1 ZINC000345394772 297277626 /nfs/dbraw/zinc/27/76/26/297277626.db2.gz QXWODXONYRMTDA-NXEZZACHSA-N 1 0 279.344 -0.449 20 30 CBEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(=O)NCC#N ZINC000345070828 298568070 /nfs/dbraw/zinc/56/80/70/298568070.db2.gz CPCBLNGHZIETDS-LLVKDONJSA-N 1 0 281.360 -0.200 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000514650898 328844122 /nfs/dbraw/zinc/84/41/22/328844122.db2.gz KXJMKMWCTQIPCP-OLZOCXBDSA-N 1 0 280.372 -0.141 20 30 CBEDRO 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/nfs/dbraw/zinc/08/97/98/329089798.db2.gz VSONNZORKYLBOQ-IINYFYTJSA-N 1 0 283.372 -0.063 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005217 328494428 /nfs/dbraw/zinc/49/44/28/328494428.db2.gz INCRALKBYXPYBA-SNVBAGLBSA-N 1 0 294.355 -0.307 20 30 CBEDRO C[C@@H](NC(=O)C(C)(C)C#N)C(=O)NCC[NH+](C)C ZINC000556902053 326981190 /nfs/dbraw/zinc/98/11/90/326981190.db2.gz OUWWDNKODJESNA-SECBINFHSA-N 1 0 254.334 -0.281 20 30 CBEDRO Cc1nc(C(=O)NC[C@@H]2C[NH2+]CCO2)ccc1C#N ZINC000584238986 327094982 /nfs/dbraw/zinc/09/49/82/327094982.db2.gz KNQOSRGRDMWBBH-NSHDSACASA-N 1 0 260.297 -0.020 20 30 CBEDRO CC(C)[N@H+](C)C[C@@H](O)Cn1cnc(C#N)cc1=O ZINC000569472566 327183191 /nfs/dbraw/zinc/18/31/91/327183191.db2.gz REIRKDAMKASBMQ-LLVKDONJSA-N 1 0 250.302 -0.184 20 30 CBEDRO N#CCC1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000573579370 327199446 /nfs/dbraw/zinc/19/94/46/327199446.db2.gz SPVFTBXLNRQMGM-QWRGUYRKSA-N 1 0 291.355 -0.366 20 30 CBEDRO C[C@H]([C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N)N1CCOCC1 ZINC000577364972 327258658 /nfs/dbraw/zinc/25/86/58/327258658.db2.gz LJEUQOWBAQLCOZ-ZNMIVQPWSA-N 1 0 298.431 -0.108 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564980713 327319437 /nfs/dbraw/zinc/31/94/37/327319437.db2.gz CGKRTEFGXYUKCN-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)N2CCCO[C@@H](C[NH3+])C2)o1 ZINC000569622922 327382581 /nfs/dbraw/zinc/38/25/81/327382581.db2.gz MIGTYIYCKACZAY-JTQLQIEISA-N 1 0 285.325 -0.110 20 30 CBEDRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000579588276 327393309 /nfs/dbraw/zinc/39/33/09/327393309.db2.gz GXRJIPLBGKKLHL-NQBHXWOUSA-N 1 0 267.329 -0.202 20 30 CBEDRO C[C@H](NC(=O)C1(C#N)CCC1)C(=O)NCC[NH+](C)C ZINC000562855695 327520322 /nfs/dbraw/zinc/52/03/22/327520322.db2.gz KMQFBEKZAAGACX-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO CC[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000172058298 329080660 /nfs/dbraw/zinc/08/06/60/329080660.db2.gz UMPPMFZREUNMNF-MNOVXSKESA-N 1 0 266.345 -0.185 20 30 CBEDRO C=CCNC(=O)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000393770968 329089413 /nfs/dbraw/zinc/08/94/13/329089413.db2.gz GCBGGELNGCGFGS-ITDIGPHOSA-N 1 0 295.383 -0.063 20 30 CBEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C[NH3+])C1 ZINC000582616275 329118134 /nfs/dbraw/zinc/11/81/34/329118134.db2.gz GGVSHRSXTNMLAQ-SECBINFHSA-N 1 0 284.341 -0.585 20 30 CBEDRO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C(=O)NCC[NH+](C)C ZINC000583035878 329305989 /nfs/dbraw/zinc/30/59/89/329305989.db2.gz ZCMNWILOTYOPEA-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000583870400 329523119 /nfs/dbraw/zinc/52/31/19/329523119.db2.gz PJOCEPHXBRKNIH-IJLUTSLNSA-N 1 0 269.345 -0.002 20 30 CBEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000320271453 329950204 /nfs/dbraw/zinc/95/02/04/329950204.db2.gz LZGKMFYRLMRTJR-KOLCDFICSA-N 1 0 270.289 -0.321 20 30 CBEDRO C#CCN(CC(=O)NC(=O)N[C@H](C)COC)C1CC1 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C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000490820386 332117778 /nfs/dbraw/zinc/11/77/78/332117778.db2.gz NZWXZMOWUPDOHH-OLZOCXBDSA-N 1 0 293.367 -0.519 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000490841438 332119616 /nfs/dbraw/zinc/11/96/16/332119616.db2.gz UWHJYVSABCUGGQ-KBPBESRZSA-N 1 0 279.384 -0.222 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1 ZINC000490840924 332119692 /nfs/dbraw/zinc/11/96/92/332119692.db2.gz QGCHOTXVXYAQAT-CYBMUJFWSA-N 1 0 294.399 -0.747 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)OCCCS(N)(=O)=O)CC1 ZINC000490853478 332121100 /nfs/dbraw/zinc/12/11/00/332121100.db2.gz RPKDOGHBTBKHQW-UHFFFAOYSA-N 1 0 288.369 -0.447 20 30 CBEDRO C#CCN1CCN(C(=O)CN2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000490987066 332136427 /nfs/dbraw/zinc/13/64/27/332136427.db2.gz XJRWNNNAFMICOV-HNNXBMFYSA-N 1 0 292.427 -0.353 20 30 CBEDRO C#CCNC(=O)CCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000491066261 332144036 /nfs/dbraw/zinc/14/40/36/332144036.db2.gz 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290.367 -0.295 20 30 CBEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000491674742 332280461 /nfs/dbraw/zinc/28/04/61/332280461.db2.gz LCYMWXAWWFHLRA-ZDUSSCGKSA-N 1 0 262.357 -0.442 20 30 CBEDRO C#CCN(CC#CC)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491674738 332280653 /nfs/dbraw/zinc/28/06/53/332280653.db2.gz LCYMWXAWWFHLRA-CYBMUJFWSA-N 1 0 262.357 -0.442 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1OCCOC ZINC000491676305 332281791 /nfs/dbraw/zinc/28/17/91/332281791.db2.gz VZOGTLGHRFAYOE-OLZOCXBDSA-N 1 0 284.356 -0.464 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)CC(=O)OCC ZINC000491678893 332283181 /nfs/dbraw/zinc/28/31/81/332283181.db2.gz VTUCPBXSLFGPCY-NSHDSACASA-N 1 0 270.329 -0.628 20 30 CBEDRO C#CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000491681463 332284591 /nfs/dbraw/zinc/28/45/91/332284591.db2.gz NKYSNYIGOZPUAK-QWRGUYRKSA-N 1 0 285.369 -0.820 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCn1ncn(C)c1=O ZINC000491691446 332288041 /nfs/dbraw/zinc/28/80/41/332288041.db2.gz 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298.408 -0.070 20 30 CBEDRO C[C@@H](CN1CCOCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852859241 583562183 /nfs/dbraw/zinc/56/21/83/583562183.db2.gz QIELRDLJWPATDS-ZDUSSCGKSA-N 1 0 279.384 -0.174 20 30 CBEDRO C[C@@H]1CN(CCNC(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852863704 583563280 /nfs/dbraw/zinc/56/32/80/583563280.db2.gz QZQCIOPOVVDFOS-CYBMUJFWSA-N 1 0 279.384 -0.174 20 30 CBEDRO CCc1nncn1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852870076 583564917 /nfs/dbraw/zinc/56/49/17/583564917.db2.gz JBOYGANQGZELJG-UHFFFAOYSA-N 1 0 275.356 -0.040 20 30 CBEDRO Cc1cnc2nc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)nn2c1 ZINC000852876091 583566099 /nfs/dbraw/zinc/56/60/99/583566099.db2.gz VNKTYYXKZMQYGA-DTWKUNHWSA-N 1 0 271.284 -0.726 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ncnc2[nH]ccc21 ZINC000852875904 583566181 /nfs/dbraw/zinc/56/61/81/583566181.db2.gz SQZQADLMHSBZAV-APPZFPTMSA-N 1 0 256.269 -0.249 20 30 CBEDRO COC(=O)[C@@H]1COCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852886150 583568681 /nfs/dbraw/zinc/56/86/81/583568681.db2.gz 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/nfs/dbraw/zinc/33/82/79/802338279.db2.gz RKJCZTXGBRLJTO-GXSJLCMTSA-N 1 0 260.297 -0.135 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1C ZINC001054357613 802338499 /nfs/dbraw/zinc/33/84/99/802338499.db2.gz UCSGAOHYXNQQPF-WDEREUQCSA-N 1 0 250.298 -0.056 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)CCc2nnc[nH]2)C[C@H]1C ZINC001054522739 802353349 /nfs/dbraw/zinc/35/33/49/802353349.db2.gz ARZOVNIMLSPFJD-MNOVXSKESA-N 1 0 261.329 -0.193 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1C ZINC001054579231 802355787 /nfs/dbraw/zinc/35/57/87/802355787.db2.gz GOJUHLGRHSOAFN-VHSXEESVSA-N 1 0 265.317 -0.394 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1C ZINC001054579230 802355930 /nfs/dbraw/zinc/35/59/30/802355930.db2.gz GOJUHLGRHSOAFN-UWVGGRQHSA-N 1 0 265.317 -0.394 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C ZINC001054579330 802356208 /nfs/dbraw/zinc/35/62/08/802356208.db2.gz ILAZVLDXVFPPBP-QWHCGFSZSA-N 1 0 267.373 -0.059 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C ZINC001054599390 802357023 /nfs/dbraw/zinc/35/70/23/802357023.db2.gz HCDGVORQZJGCPP-ZJUUUORDSA-N 1 0 263.297 -0.338 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C ZINC001054599386 802358104 /nfs/dbraw/zinc/35/81/04/802358104.db2.gz HCDGVORQZJGCPP-NXEZZACHSA-N 1 0 263.297 -0.338 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1C ZINC001054600774 802358368 /nfs/dbraw/zinc/35/83/68/802358368.db2.gz VRWCHNSIOOHCOX-GXSJLCMTSA-N 1 0 261.329 -0.314 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1C ZINC001054615664 802359980 /nfs/dbraw/zinc/35/99/80/802359980.db2.gz DBPIBYTYRWKEJX-ONGXEEELSA-N 1 0 262.313 -0.010 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001054650900 802363311 /nfs/dbraw/zinc/36/33/11/802363311.db2.gz UTKHLJBZVYYYPB-QWRGUYRKSA-N 1 0 264.333 -0.314 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001054677092 802364709 /nfs/dbraw/zinc/36/47/09/802364709.db2.gz DRZBLASTIXKHRJ-MWLCHTKSSA-N 1 0 272.370 -0.347 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C ZINC001054675698 802365436 /nfs/dbraw/zinc/36/54/36/802365436.db2.gz BMZJFYVSLHXPHS-MWLCHTKSSA-N 1 0 270.354 -0.899 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C ZINC001054763653 802370633 /nfs/dbraw/zinc/37/06/33/802370633.db2.gz JMEASFVTFKFTEP-KOLCDFICSA-N 1 0 260.297 -0.135 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1C ZINC001054762153 802371043 /nfs/dbraw/zinc/37/10/43/802371043.db2.gz LMXOTIQBHQUEJY-VHSXEESVSA-N 1 0 251.330 -0.432 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C ZINC001054819101 802371782 /nfs/dbraw/zinc/37/17/82/802371782.db2.gz BOXDNEJGIVHKFO-ZYHUDNBSSA-N 1 0 284.381 -0.509 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1C ZINC001054898806 802378482 /nfs/dbraw/zinc/37/84/82/802378482.db2.gz RYHGNKCREBJQGS-PWSUYJOCSA-N 1 0 284.323 -0.192 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1C ZINC001054919875 802379268 /nfs/dbraw/zinc/37/92/68/802379268.db2.gz LZTFAPAQRPXIPN-WDEREUQCSA-N 1 0 274.324 -0.536 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001054930213 802381072 /nfs/dbraw/zinc/38/10/72/802381072.db2.gz KIUTZTOTVZSOMY-VXGBXAGGSA-N 1 0 291.355 -0.958 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001055014352 802383698 /nfs/dbraw/zinc/38/36/98/802383698.db2.gz DMDCKNJQUYIRBZ-ZYHUDNBSSA-N 1 0 289.335 -0.009 20 30 CBEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001055023329 802387512 /nfs/dbraw/zinc/38/75/12/802387512.db2.gz NOBVMNCADOHGCK-ZWNOBZJWSA-N 1 0 286.335 -0.020 20 30 CBEDRO CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055482672 802397284 /nfs/dbraw/zinc/39/72/84/802397284.db2.gz DIGOHVSWOVONOD-SNVBAGLBSA-N 1 0 266.345 -0.137 20 30 CBEDRO C=CCCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057172497 802496110 /nfs/dbraw/zinc/49/61/10/802496110.db2.gz GMHKWBJMXBZEKL-UHFFFAOYSA-N 1 0 297.399 -0.015 20 30 CBEDRO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057172422 802496445 /nfs/dbraw/zinc/49/64/45/802496445.db2.gz CGBMPXDRPPENFC-ZDUSSCGKSA-N 1 0 297.399 -0.159 20 30 CBEDRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058654713 802559724 /nfs/dbraw/zinc/55/97/24/802559724.db2.gz GEMXSSOVGBZOJB-GFCCVEGCSA-N 1 0 298.387 -0.575 20 30 CBEDRO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058657126 802560335 /nfs/dbraw/zinc/56/03/35/802560335.db2.gz REWYVZNJLBIBRE-LLVKDONJSA-N 1 0 284.360 -0.965 20 30 CBEDRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058660818 802560462 /nfs/dbraw/zinc/56/04/62/802560462.db2.gz IZJMUKLSWOJERO-GFCCVEGCSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058658534 802560765 /nfs/dbraw/zinc/56/07/65/802560765.db2.gz FRXROHZZQHVXAJ-NEPJUHHUSA-N 1 0 296.371 -0.965 20 30 CBEDRO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058658537 802560813 /nfs/dbraw/zinc/56/08/13/802560813.db2.gz FRXROHZZQHVXAJ-VXGBXAGGSA-N 1 0 296.371 -0.965 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001117397069 812397930 /nfs/dbraw/zinc/39/79/30/812397930.db2.gz UJTCGHKOGOQILT-STQMWFEESA-N 1 0 295.383 -0.307 20 30 CBEDRO C=CCn1cc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)nn1 ZINC001118146960 812478924 /nfs/dbraw/zinc/47/89/24/812478924.db2.gz AXTJSOGCHVIBOC-UHFFFAOYSA-N 1 0 292.343 -0.652 20 30 CBEDRO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001118045016 812465511 /nfs/dbraw/zinc/46/55/11/812465511.db2.gz OSPYKOOAVWMSFV-GFCCVEGCSA-N 1 0 270.308 -0.434 20 30 CBEDRO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001118043919 812465714 /nfs/dbraw/zinc/46/57/14/812465714.db2.gz WMQNOPCSUGDKMO-GFCCVEGCSA-N 1 0 270.308 -0.434 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC001121955424 813095874 /nfs/dbraw/zinc/09/58/74/813095874.db2.gz OJRHFZWYWSILRP-NEPJUHHUSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC001121955426 813096180 /nfs/dbraw/zinc/09/61/80/813096180.db2.gz OJRHFZWYWSILRP-RYUDHWBXSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+]CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001121955590 813096299 /nfs/dbraw/zinc/09/62/99/813096299.db2.gz STMQJXILHHHERQ-UWVGGRQHSA-N 1 0 260.359 -0.511 20 30 CBEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)C(=O)OC ZINC001122102549 813117748 /nfs/dbraw/zinc/11/77/48/813117748.db2.gz MDLZAWMEVQTNRD-VWYCJHECSA-N 1 0 272.345 -0.173 20 30 CBEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[C@H](O)C[NH2+]C)C(=O)OC ZINC001122102548 813118063 /nfs/dbraw/zinc/11/80/63/813118063.db2.gz MDLZAWMEVQTNRD-OUAUKWLOSA-N 1 0 272.345 -0.173 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001123792129 813273243 /nfs/dbraw/zinc/27/32/43/813273243.db2.gz JGWGZAZEAAMXNP-SECBINFHSA-N 1 0 270.358 -0.772 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123186470 813222380 /nfs/dbraw/zinc/22/23/80/813222380.db2.gz BZQFZEZUPUFHCY-UHFFFAOYSA-N 1 0 251.286 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001122611203 813180484 /nfs/dbraw/zinc/18/04/84/813180484.db2.gz CUAZRMROEDFVBI-UHFFFAOYSA-N 1 0 277.299 -0.106 20 30 CBEDRO CCO[C@H]1C[C@@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001124147135 813410527 /nfs/dbraw/zinc/41/05/27/813410527.db2.gz HJTLCVXDBHTXJE-RYUDHWBXSA-N 1 0 254.330 -0.233 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001124890497 813495889 /nfs/dbraw/zinc/49/58/89/813495889.db2.gz YEKHZBQMHKCOGO-SECBINFHSA-N 1 0 254.334 -0.233 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001128632584 813787088 /nfs/dbraw/zinc/78/70/88/813787088.db2.gz IICZZBRVYFJKTE-WDEREUQCSA-N 1 0 251.330 -0.512 20 30 CBEDRO COC[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129148737 813819879 /nfs/dbraw/zinc/81/98/79/813819879.db2.gz MEZKJTXVIPGZAY-GHMZBOCLSA-N 1 0 284.360 -0.749 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001129121356 813820058 /nfs/dbraw/zinc/82/00/58/813820058.db2.gz SMNWTKIURNYTJN-UHFFFAOYSA-N 1 0 280.328 -0.919 20 30 CBEDRO COC[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129148740 813821114 /nfs/dbraw/zinc/82/11/14/813821114.db2.gz MEZKJTXVIPGZAY-WDEREUQCSA-N 1 0 284.360 -0.749 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H](C)COC ZINC001129149623 813823216 /nfs/dbraw/zinc/82/32/16/813823216.db2.gz UBWLHAZHCLOLLB-NEPJUHHUSA-N 1 0 285.388 -0.087 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129335324 813838013 /nfs/dbraw/zinc/83/80/13/813838013.db2.gz SDCGXPKTMZAGEU-JTQLQIEISA-N 1 0 260.359 -0.155 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cnc(C)o1 ZINC001129323036 813838241 /nfs/dbraw/zinc/83/82/41/813838241.db2.gz SHKWIOZQDNSRTP-SNVBAGLBSA-N 1 0 292.339 -0.631 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129335325 813838306 /nfs/dbraw/zinc/83/83/06/813838306.db2.gz SDCGXPKTMZAGEU-SNVBAGLBSA-N 1 0 260.359 -0.155 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001134817234 814414199 /nfs/dbraw/zinc/41/41/99/814414199.db2.gz 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/nfs/dbraw/zinc/07/98/83/820079883.db2.gz GRTRNRWRMXTXBE-SNVBAGLBSA-N 1 0 277.390 -0.404 20 30 CBEDRO CN1CCO[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001116177193 812228216 /nfs/dbraw/zinc/22/82/16/812228216.db2.gz YTOVTBWSZZPUKS-NSHDSACASA-N 1 0 266.345 -0.579 20 30 CBEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)OC)c1C#N ZINC001116393456 812252392 /nfs/dbraw/zinc/25/23/92/812252392.db2.gz IEYOXESAIOZDSU-UHFFFAOYSA-N 1 0 294.315 -0.272 20 30 CBEDRO COC(=O)[C@@H]1C[C@@H](Nc2cc(C)nc(C#N)n2)CN1 ZINC001158254426 815516580 /nfs/dbraw/zinc/51/65/80/815516580.db2.gz CDWCMAVHNWIVLA-BDAKNGLRSA-N 1 0 261.285 -0.606 20 30 CBEDRO C=C[C@H](COC)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001116618622 812285058 /nfs/dbraw/zinc/28/50/58/812285058.db2.gz AQGQWUAPFJIOJN-ZYHUDNBSSA-N 1 0 257.334 -0.447 20 30 CBEDRO C#C[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001116711872 812301806 /nfs/dbraw/zinc/30/18/06/812301806.db2.gz GAGQRDKIYHDXED-JTQLQIEISA-N 1 0 277.328 -0.479 20 30 CBEDRO C=CCOC1CCC([NH2+]C(CO)(CO)CO)CC1 ZINC001173312948 820399782 /nfs/dbraw/zinc/39/97/82/820399782.db2.gz NSAUUEXODRIPDH-UHFFFAOYSA-N 1 0 259.346 -0.195 20 30 CBEDRO C[C@H](C(=O)NCC[NH+]1CC=CC1)n1cnc(C#N)n1 ZINC001116914743 812337379 /nfs/dbraw/zinc/33/73/79/812337379.db2.gz CODFXPHVIDNIHJ-SNVBAGLBSA-N 1 0 260.301 -0.301 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001116969907 812350482 /nfs/dbraw/zinc/35/04/82/812350482.db2.gz GNEDJJCPGKDZAN-UPJWGTAASA-N 1 0 295.383 -0.001 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001116971207 812350962 /nfs/dbraw/zinc/35/09/62/812350962.db2.gz RMLYXIWPIZJZDP-UHFFFAOYSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC001117122334 812368836 /nfs/dbraw/zinc/36/88/36/812368836.db2.gz MXMLTRKFTRYGFU-NSHDSACASA-N 1 0 269.345 -0.791 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001178041501 820556862 /nfs/dbraw/zinc/55/68/62/820556862.db2.gz BQCAXDWVBFSJOS-JQWIXIFHSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001117439692 812404310 /nfs/dbraw/zinc/40/43/10/812404310.db2.gz YHGZMPNGUBGWDE-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO N#CCCOCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001117745030 812441709 /nfs/dbraw/zinc/44/17/09/812441709.db2.gz AEVCHDRDQGLTFY-LLVKDONJSA-N 1 0 275.374 -0.083 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001117928766 812457572 /nfs/dbraw/zinc/45/75/72/812457572.db2.gz UKZDOKDYAZNBGG-GFCCVEGCSA-N 1 0 293.367 -0.600 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411797 815527328 /nfs/dbraw/zinc/52/73/28/815527328.db2.gz JJDCRIWFNUJPMP-LLVKDONJSA-N 1 0 251.330 -0.192 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001118038112 812463746 /nfs/dbraw/zinc/46/37/46/812463746.db2.gz SDBIBZSYYZOUPW-JTQLQIEISA-N 1 0 271.386 -0.417 20 30 CBEDRO C#CCNC(=O)CC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC001118103158 812471473 /nfs/dbraw/zinc/47/14/73/812471473.db2.gz QMLYBESKVARFMQ-UHFFFAOYSA-N 1 0 278.356 -0.385 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC[NH2+]1 ZINC001118121908 812472667 /nfs/dbraw/zinc/47/26/67/812472667.db2.gz KSQZWHGSEGUHGS-SKDRFNHKSA-N 1 0 268.292 -0.729 20 30 CBEDRO CO[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1cnn(C)c1 ZINC001118143619 812477915 /nfs/dbraw/zinc/47/79/15/812477915.db2.gz QPJOSVHPRCAEBR-LSJOCFKGSA-N 1 0 263.301 -0.665 20 30 CBEDRO COC(=O)c1cc(C#N)cnc1-n1nncc1C[NH3+] ZINC001158427648 815528906 /nfs/dbraw/zinc/52/89/06/815528906.db2.gz CLHYBMIWJNYSNV-UHFFFAOYSA-N 1 0 258.241 -0.221 20 30 CBEDRO CCc1nc(C#N)c(C#N)nc1-n1nncc1C[NH3+] ZINC001158427307 815529396 /nfs/dbraw/zinc/52/93/96/815529396.db2.gz OVLPNVPFXDPEHT-UHFFFAOYSA-N 1 0 254.257 -0.178 20 30 CBEDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001118198197 812491538 /nfs/dbraw/zinc/49/15/38/812491538.db2.gz RBTLYIQIKLLTAS-KPMWUXBGSA-N 1 0 292.339 -0.373 20 30 CBEDRO N#Cc1ccc([C@H](O)C[NH2+]CC(=O)NCCO)cc1 ZINC001118241167 812504179 /nfs/dbraw/zinc/50/41/79/812504179.db2.gz ACYHLNWQARTAGP-GFCCVEGCSA-N 1 0 263.297 -0.710 20 30 CBEDRO N#CC1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001118268608 812513097 /nfs/dbraw/zinc/51/30/97/812513097.db2.gz SDKZUUFLHPVUML-UHFFFAOYSA-N 1 0 278.356 -0.006 20 30 CBEDRO N#CCNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485814 815535613 /nfs/dbraw/zinc/53/56/13/815535613.db2.gz AHZQDQUCFBHYPI-RYUDHWBXSA-N 1 0 266.345 -0.531 20 30 CBEDRO CN(CC(C)(C)[NH3+])C(=O)NCCn1cnc(C#N)n1 ZINC001118482122 812553985 /nfs/dbraw/zinc/55/39/85/812553985.db2.gz JMEIMEANTWLLSV-UHFFFAOYSA-N 1 0 265.321 -0.472 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001118486320 812555122 /nfs/dbraw/zinc/55/51/22/812555122.db2.gz KZTXLTHZOSPXRK-UHFFFAOYSA-N 1 0 281.356 -0.355 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001118487317 812555991 /nfs/dbraw/zinc/55/59/91/812555991.db2.gz UCFVRWRVOFBXEM-LLVKDONJSA-N 1 0 269.345 -0.758 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC001118488404 812557197 /nfs/dbraw/zinc/55/71/97/812557197.db2.gz NMCYHKZEGSGOOJ-LNFKQOIKSA-N 1 0 282.319 -0.307 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC001118491447 812558248 /nfs/dbraw/zinc/55/82/48/812558248.db2.gz VXCGPZYPMPPYSA-JTQLQIEISA-N 1 0 255.318 -0.888 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001158534025 815537134 /nfs/dbraw/zinc/53/71/34/815537134.db2.gz QQCMEKRLRQCONH-ICCXJUOJSA-N 1 0 250.298 -0.109 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC001118574719 812581664 /nfs/dbraw/zinc/58/16/64/812581664.db2.gz XCOMZSGTDMGJHS-LLVKDONJSA-N 1 0 269.345 -0.403 20 30 CBEDRO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)S(C)(=O)=O ZINC001118575334 812581806 /nfs/dbraw/zinc/58/18/06/812581806.db2.gz ZBIFPCQXHAUQNT-SNVBAGLBSA-N 1 0 272.370 -0.461 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001158566388 815538730 /nfs/dbraw/zinc/53/87/30/815538730.db2.gz OMKQMLHUOUTIOK-SNVBAGLBSA-N 1 0 275.374 -0.957 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc[nH]c1 ZINC001158587035 815539115 /nfs/dbraw/zinc/53/91/15/815539115.db2.gz OXIXSLAQHHFQTD-UHFFFAOYSA-N 1 0 262.313 -0.526 20 30 CBEDRO COCC#CC(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC001118762472 812618895 /nfs/dbraw/zinc/61/88/95/812618895.db2.gz CONNKZWXBURPCS-LBPRGKRZSA-N 1 0 254.330 -0.137 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158639172 815541885 /nfs/dbraw/zinc/54/18/85/815541885.db2.gz USFYLMYYXVMFNX-LLVKDONJSA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001118806238 812631833 /nfs/dbraw/zinc/63/18/33/812631833.db2.gz RFNKNNUVPWGYGI-JTQLQIEISA-N 1 0 265.317 -0.719 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001118828327 812636664 /nfs/dbraw/zinc/63/66/64/812636664.db2.gz XCYYEODMIMSDBV-SMDDNHRTSA-N 1 0 263.341 -0.192 20 30 CBEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001118827710 812636857 /nfs/dbraw/zinc/63/68/57/812636857.db2.gz QKYYGNZJTHSYON-GHMZBOCLSA-N 1 0 267.333 -0.471 20 30 CBEDRO C=CCn1cc(CNC(=O)NC2(C[NH3+])CCOCC2)nn1 ZINC001118861604 812644387 /nfs/dbraw/zinc/64/43/87/812644387.db2.gz MRZVXBHKNBZNHZ-UHFFFAOYSA-N 1 0 294.359 -0.229 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001118870468 812648460 /nfs/dbraw/zinc/64/84/60/812648460.db2.gz QGKFBJIELKIQPE-CHWSQXEVSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CC1CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC001118873495 812649989 /nfs/dbraw/zinc/64/99/89/812649989.db2.gz WRWGPZRMZLCXTC-UHFFFAOYSA-N 1 0 283.372 -0.237 20 30 CBEDRO CC#CCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001118932361 812668830 /nfs/dbraw/zinc/66/88/30/812668830.db2.gz MZWUYINFMMWUEI-QWRGUYRKSA-N 1 0 251.330 -0.227 20 30 CBEDRO COc1nc(N2C[C@H]([NH3+])C3(COC3)C2)ncc1C#N ZINC001158763595 815545346 /nfs/dbraw/zinc/54/53/46/815545346.db2.gz IYWXYFUSOWLJPH-VIFPVBQESA-N 1 0 261.285 -0.479 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCn1cncn1 ZINC001118952243 812675643 /nfs/dbraw/zinc/67/56/43/812675643.db2.gz SFVQRAICWKTAIQ-GFCCVEGCSA-N 1 0 266.349 -0.536 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001118973061 812680071 /nfs/dbraw/zinc/68/00/71/812680071.db2.gz AVRZDIRJDZKBFT-MFKMUULPSA-N 1 0 282.319 -0.210 20 30 CBEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cn1cnc(C#N)n1)C2 ZINC001119301385 812748408 /nfs/dbraw/zinc/74/84/08/812748408.db2.gz WYURFEPVNSJHGE-JOYOIKCWSA-N 1 0 260.301 -0.782 20 30 CBEDRO C=CCN1CC[C@@H](n2cc(C[C@H]([NH3+])COC)nn2)C1=O ZINC001119335213 812759049 /nfs/dbraw/zinc/75/90/49/812759049.db2.gz LJXAJUAFARLRAQ-CMPLNLGQSA-N 1 0 279.344 -0.246 20 30 CBEDRO CN(C)C(=O)NCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119354666 812764292 /nfs/dbraw/zinc/76/42/92/812764292.db2.gz GGFICYRZFNFCEH-CVZZAPKMSA-N 1 0 293.371 -0.487 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158915747 815551676 /nfs/dbraw/zinc/55/16/76/815551676.db2.gz HJIGOBZAXPKDBT-LLVKDONJSA-N 1 0 294.359 -0.935 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001119356026 812765019 /nfs/dbraw/zinc/76/50/19/812765019.db2.gz BHNROCCOXMYSGY-VXGBXAGGSA-N 1 0 279.340 -0.895 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC001119360987 812766617 /nfs/dbraw/zinc/76/66/17/812766617.db2.gz AEWNIQXKBJNITI-GFCCVEGCSA-N 1 0 295.383 -0.216 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](COC)C(N)=O ZINC001119363333 812767596 /nfs/dbraw/zinc/76/75/96/812767596.db2.gz NZLHLRUVRHJUPS-SFYZADRCSA-N 1 0 263.725 -0.585 20 30 CBEDRO N#C[C@@H]1CN(C(=O)NC/C=C\C[NH3+])CCN1C1CC1 ZINC001119416106 812778378 /nfs/dbraw/zinc/77/83/78/812778378.db2.gz IDQZMNJNSHBNEG-UDSFMNFJSA-N 1 0 263.345 -0.117 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)Cn1nccn1 ZINC001158922537 815552842 /nfs/dbraw/zinc/55/28/42/815552842.db2.gz WFTRAMBHZZRZKA-UHFFFAOYSA-N 1 0 265.317 -0.976 20 30 CBEDRO N#CC1(C[C@H](O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CCC1 ZINC001119436234 812784216 /nfs/dbraw/zinc/78/42/16/812784216.db2.gz XQLHMAFSAPJGKV-AVGNSLFASA-N 1 0 268.357 -0.036 20 30 CBEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001119545013 812804938 /nfs/dbraw/zinc/80/49/38/812804938.db2.gz KOZAVJZHWVZUQZ-NXEZZACHSA-N 1 0 252.318 -0.446 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1CC[NH3+] ZINC001119546360 812805873 /nfs/dbraw/zinc/80/58/73/812805873.db2.gz YGTTVBCFSDDHQJ-JTNHKYCSSA-N 1 0 296.346 -0.106 20 30 CBEDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001119611558 812833787 /nfs/dbraw/zinc/83/37/87/812833787.db2.gz VMZFNSJPXCBQAY-SNVBAGLBSA-N 1 0 266.345 -0.056 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001119638227 812847002 /nfs/dbraw/zinc/84/70/02/812847002.db2.gz JBWJBQTXBOXFKD-QWHCGFSZSA-N 1 0 266.341 -0.402 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC001119638226 812847456 /nfs/dbraw/zinc/84/74/56/812847456.db2.gz JBWJBQTXBOXFKD-OLZOCXBDSA-N 1 0 266.341 -0.402 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccns1 ZINC001159107679 815559969 /nfs/dbraw/zinc/55/99/69/815559969.db2.gz JEBFFSWRJWFPLJ-SNVBAGLBSA-N 1 0 294.380 -0.010 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H](CC)O1 ZINC001159171198 815560832 /nfs/dbraw/zinc/56/08/32/815560832.db2.gz PWJMVNKCEQZRBU-CHWSQXEVSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CC[C@H](CO)NC(=O)NCCN1CCOC[C@H]1C ZINC001119673618 812863448 /nfs/dbraw/zinc/86/34/48/812863448.db2.gz QXTGLQLBYYMEDD-VXGBXAGGSA-N 1 0 269.345 -0.610 20 30 CBEDRO CC[C@@H]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)O1 ZINC001159169132 815561182 /nfs/dbraw/zinc/56/11/82/815561182.db2.gz CFTFTJZXACGUMN-VXGBXAGGSA-N 1 0 296.371 -0.320 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001119729400 812880084 /nfs/dbraw/zinc/88/00/84/812880084.db2.gz PDLLHQZLFASQEP-DOMZBBRYSA-N 1 0 293.367 -0.838 20 30 CBEDRO COC(=O)CC[N@@H+]1CCN(C[C@H](O)CC#N)[C@@H](C)C1 ZINC001119776593 812884697 /nfs/dbraw/zinc/88/46/97/812884697.db2.gz LGVOBLZNJJIUQQ-NWDGAFQWSA-N 1 0 269.345 -0.170 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2C3CCC2(CO)CC3)CC1 ZINC001119845963 812894309 /nfs/dbraw/zinc/89/43/09/812894309.db2.gz JBVAEUABAZLPRK-UHFFFAOYSA-N 1 0 291.395 -0.247 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159224516 815562968 /nfs/dbraw/zinc/56/29/68/815562968.db2.gz WMWLNIQUQVYMPB-UHFFFAOYSA-N 1 0 291.779 -0.060 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C[C@@H](C)[NH2+]1 ZINC001120271151 812945422 /nfs/dbraw/zinc/94/54/22/812945422.db2.gz WLYDPVCUIKCHPY-GYSYKLTISA-N 1 0 294.355 -0.664 20 30 CBEDRO CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120480687 812972943 /nfs/dbraw/zinc/97/29/43/812972943.db2.gz AVHPQZOLOSBPBF-GHMZBOCLSA-N 1 0 256.350 -0.693 20 30 CBEDRO C#CCOCC[NH+]1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001120363001 812953831 /nfs/dbraw/zinc/95/38/31/812953831.db2.gz DSLJCTOGSMPZDW-QWRGUYRKSA-N 1 0 269.297 -0.470 20 30 CBEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC001120371179 812955478 /nfs/dbraw/zinc/95/54/78/812955478.db2.gz ALQBVPXAAKVKCH-MJVIPROJSA-N 1 0 294.355 -0.677 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCO1 ZINC001120379632 812957013 /nfs/dbraw/zinc/95/70/13/812957013.db2.gz XMIUBGXHBGPFMY-MFKMUULPSA-N 1 0 280.328 -0.923 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC001120429536 812964670 /nfs/dbraw/zinc/96/46/70/812964670.db2.gz WKHJVWFBKCQNIY-SNVBAGLBSA-N 1 0 264.329 -0.383 20 30 CBEDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001120434965 812965722 /nfs/dbraw/zinc/96/57/22/812965722.db2.gz VEKJTEQLRAVSPK-GHMZBOCLSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001159263314 815566289 /nfs/dbraw/zinc/56/62/89/815566289.db2.gz OWDRTMHKMLDCKB-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO N#CCC[C@@H](C#N)C[NH2+]C1CCN(CC(N)=O)CC1 ZINC001120467308 812971526 /nfs/dbraw/zinc/97/15/26/812971526.db2.gz IWUHUGOTWVZGJN-NSHDSACASA-N 1 0 263.345 -0.031 20 30 CBEDRO C=CC(=O)NCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120489034 812973435 /nfs/dbraw/zinc/97/34/35/812973435.db2.gz MYUXIMZCCATEDV-LLVKDONJSA-N 1 0 254.334 -0.915 20 30 CBEDRO C=CC(=O)NCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC001120489035 812973590 /nfs/dbraw/zinc/97/35/90/812973590.db2.gz MYUXIMZCCATEDV-NSHDSACASA-N 1 0 254.334 -0.915 20 30 CBEDRO COC[C@@](C)(O)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC001120489656 812973905 /nfs/dbraw/zinc/97/39/05/812973905.db2.gz UZQJLYLQRIVVFZ-RYUDHWBXSA-N 1 0 259.350 -0.820 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@](C)(O)C1CC1 ZINC001120489665 812973939 /nfs/dbraw/zinc/97/39/39/812973939.db2.gz VEEIHTUZQUDNIS-QWHCGFSZSA-N 1 0 255.362 -0.057 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001120520718 812980580 /nfs/dbraw/zinc/98/05/80/812980580.db2.gz RTAMRSKPYKCELZ-UHFFFAOYSA-N 1 0 295.383 -0.128 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001120517987 812980916 /nfs/dbraw/zinc/98/09/16/812980916.db2.gz YTSVOAYZIRAXON-MNOVXSKESA-N 1 0 269.345 -0.723 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCS(=O)(=O)[C@H](C)C1 ZINC001120526547 812983334 /nfs/dbraw/zinc/98/33/34/812983334.db2.gz YDSAALDKCCCDRG-MNOVXSKESA-N 1 0 272.370 -0.319 20 30 CBEDRO C#CCOCCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001120529474 812983424 /nfs/dbraw/zinc/98/34/24/812983424.db2.gz OSJPUDDFHYLVOZ-LLVKDONJSA-N 1 0 255.318 -0.734 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001120538690 812985834 /nfs/dbraw/zinc/98/58/34/812985834.db2.gz JPVQMMZHCMDNAN-GFCCVEGCSA-N 1 0 275.352 -0.414 20 30 CBEDRO N#Cc1ccc([C@H](O)C[NH2+]CCn2cnnn2)cc1 ZINC001120589654 812997858 /nfs/dbraw/zinc/99/78/58/812997858.db2.gz FFOWEHYDJOJSMV-GFCCVEGCSA-N 1 0 258.285 -0.132 20 30 CBEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120652779 813006432 /nfs/dbraw/zinc/00/64/32/813006432.db2.gz JVVCVWFBXORNMN-GHMZBOCLSA-N 1 0 279.340 -0.007 20 30 CBEDRO C#CCNC(=O)C1CCN(c2nccnc2C[NH3+])CC1 ZINC001120890071 813027580 /nfs/dbraw/zinc/02/75/80/813027580.db2.gz QVINJDLFQWZFID-UHFFFAOYSA-N 1 0 273.340 -0.099 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)CNC(=O)NC ZINC001159346458 815570872 /nfs/dbraw/zinc/57/08/72/815570872.db2.gz DRWVUQQJNXCGNL-UHFFFAOYSA-N 1 0 272.349 -0.786 20 30 CBEDRO COCC#CC[NH2+]C1CC2(CC(NC(=O)CC(N)=O)C2)C1 ZINC001120885014 813027975 /nfs/dbraw/zinc/02/79/75/813027975.db2.gz MDIWEGUQINPEBH-UHFFFAOYSA-N 1 0 293.367 -0.471 20 30 CBEDRO C#CCNC(=O)CC(=O)NC1CC2(C1)CC([NH2+]CC#C)C2 ZINC001120980617 813034616 /nfs/dbraw/zinc/03/46/16/813034616.db2.gz ASNRUDOMHJUZSM-UHFFFAOYSA-N 1 0 287.363 -0.224 20 30 CBEDRO CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 ZINC001121112467 813045674 /nfs/dbraw/zinc/04/56/74/813045674.db2.gz SYBCPUWBWBPDEJ-UHFFFAOYSA-N 1 0 288.355 -0.287 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)C3(C(N)=O)CC3)C2)C1 ZINC001121668530 813073790 /nfs/dbraw/zinc/07/37/90/813073790.db2.gz UIDRQEINGAUBFQ-UHFFFAOYSA-N 1 0 275.352 -0.098 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@@H](O)COc1ccccc1 ZINC001121844806 813079468 /nfs/dbraw/zinc/07/94/68/813079468.db2.gz INNVRSVTFWOISY-GFCCVEGCSA-N 1 0 262.309 -0.235 20 30 CBEDRO C#CCN1CC=C(CCNC(=O)CS(C)(=O)=O)CC1 ZINC001159457518 815574580 /nfs/dbraw/zinc/57/45/80/815574580.db2.gz DECBALKULUUCDB-UHFFFAOYSA-N 1 0 284.381 -0.197 20 30 CBEDRO C#CC[NH2+]CC(=O)NC1(CC(=O)OC)CCOCC1 ZINC001121880037 813082016 /nfs/dbraw/zinc/08/20/16/813082016.db2.gz DOYSJQOMDQNWRF-UHFFFAOYSA-N 1 0 268.313 -0.562 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC001121896746 813086828 /nfs/dbraw/zinc/08/68/28/813086828.db2.gz PROJDZWBXQPOTB-WDEREUQCSA-N 1 0 287.385 -0.957 20 30 CBEDRO C=CCNC(=O)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121910459 813088876 /nfs/dbraw/zinc/08/88/76/813088876.db2.gz APPHLVRRBPVZCV-NSHDSACASA-N 1 0 267.329 -0.827 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001122075303 813113515 /nfs/dbraw/zinc/11/35/15/813113515.db2.gz KLFWZFSCTRRESO-RISCZKNCSA-N 1 0 278.356 -0.054 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CC=C(C(=O)OCC)C1 ZINC001122089350 813115592 /nfs/dbraw/zinc/11/55/92/813115592.db2.gz JPPHMDOZYXVUJD-LLVKDONJSA-N 1 0 250.298 -0.023 20 30 CBEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C[C@H](O)C[NH3+])C2 ZINC001122190670 813130111 /nfs/dbraw/zinc/13/01/11/813130111.db2.gz FFTKBAHQUCPATH-OLZOCXBDSA-N 1 0 259.309 -0.149 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H](C[C@H]1CCCO1)C(=O)OCC ZINC001122221414 813135512 /nfs/dbraw/zinc/13/55/12/813135512.db2.gz ZHHUEHWVDHUSKD-VXGBXAGGSA-N 1 0 282.340 -0.174 20 30 CBEDRO C[NH+](C)CCC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 ZINC001122544484 813174488 /nfs/dbraw/zinc/17/44/88/813174488.db2.gz SZJJUMNVZMANAG-GFCCVEGCSA-N 1 0 291.355 -0.206 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(F)F ZINC001122574328 813176998 /nfs/dbraw/zinc/17/69/98/813176998.db2.gz LXYHRCSQKMBYPG-MRVPVSSYSA-N 1 0 261.272 -0.515 20 30 CBEDRO CC(=O)NCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001122667434 813183370 /nfs/dbraw/zinc/18/33/70/813183370.db2.gz FMOVGNNSMPXGMW-UHFFFAOYSA-N 1 0 274.324 -0.100 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C=C(C)C ZINC001122991665 813203636 /nfs/dbraw/zinc/20/36/36/813203636.db2.gz XREXXALCFRSRIH-UHFFFAOYSA-N 1 0 282.344 -0.330 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C1=COCCO1 ZINC001123026974 813207075 /nfs/dbraw/zinc/20/70/75/813207075.db2.gz XXZJCTBSIACFOT-UHFFFAOYSA-N 1 0 256.302 -0.217 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123095990 813215583 /nfs/dbraw/zinc/21/55/83/813215583.db2.gz QYOURJWLZLQIDZ-UHFFFAOYSA-N 1 0 266.301 -0.296 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCO2)C1=O ZINC001123117186 813216635 /nfs/dbraw/zinc/21/66/35/813216635.db2.gz CZOFQZYTJTWOKF-NWDGAFQWSA-N 1 0 281.356 -0.342 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123157764 813219237 /nfs/dbraw/zinc/21/92/37/813219237.db2.gz HSJJXEOMYCEODM-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO NC(=O)NCC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001123257915 813227907 /nfs/dbraw/zinc/22/79/07/813227907.db2.gz KXUSRRXKOXIKOJ-UHFFFAOYSA-N 1 0 292.314 -0.449 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])c1cnc(C#N)c(C)n1 ZINC001159864750 815602821 /nfs/dbraw/zinc/60/28/21/815602821.db2.gz MIYASNNZWLSZCU-UHFFFAOYSA-N 1 0 263.301 -0.015 20 30 CBEDRO O=C(Cn1cnnn1)NCC[NH2+]CC#Cc1ccccc1 ZINC001123303746 813229835 /nfs/dbraw/zinc/22/98/35/813229835.db2.gz CCAIKDQLTACUGH-UHFFFAOYSA-N 1 0 284.323 -0.569 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)Cn2cnnn2)s1 ZINC001123313186 813231285 /nfs/dbraw/zinc/23/12/85/813231285.db2.gz OFETWTPFMZZLKH-UHFFFAOYSA-N 1 0 291.340 -0.488 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1snnc1C ZINC001123392842 813239181 /nfs/dbraw/zinc/23/91/81/813239181.db2.gz RBMSUBDQFCDFDX-VIFPVBQESA-N 1 0 297.384 -0.143 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)no1 ZINC001123440817 813239850 /nfs/dbraw/zinc/23/98/50/813239850.db2.gz SNRJQUQKKAIDAJ-SNVBAGLBSA-N 1 0 278.312 -0.560 20 30 CBEDRO CC(=O)CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123480510 813243106 /nfs/dbraw/zinc/24/31/06/813243106.db2.gz SHZYQISGSGYGRO-UHFFFAOYSA-N 1 0 268.317 -0.909 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C)n1C ZINC001123491669 813243326 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281.356 -0.742 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CCC(O)CC1 ZINC001126471994 813652178 /nfs/dbraw/zinc/65/21/78/813652178.db2.gz TXPIYGIQCZMUSM-PNESKVBLSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](OC)C1CC1 ZINC001126502329 813655803 /nfs/dbraw/zinc/65/58/03/813655803.db2.gz WIZZNYPZPSHPKQ-PWSUYJOCSA-N 1 0 281.356 -0.745 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548493 813660821 /nfs/dbraw/zinc/66/08/21/813660821.db2.gz MJPYBGDITJAFCD-ZETCQYMHSA-N 1 0 292.133 -0.291 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1COC(=O)N1 ZINC001126555263 813663700 /nfs/dbraw/zinc/66/37/00/813663700.db2.gz WAQMDYLCBLOFFE-SECBINFHSA-N 1 0 257.290 -0.997 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001126592912 813665277 /nfs/dbraw/zinc/66/52/77/813665277.db2.gz TZWWWRQWAORZMK-GUBZILKMSA-N 1 0 287.310 -0.269 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001126592916 813665572 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297.340 -0.889 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001127604631 813737636 /nfs/dbraw/zinc/73/76/36/813737636.db2.gz IBRHPMSWWFVSEJ-AXFHLTTASA-N 1 0 269.345 -0.453 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653072 813741496 /nfs/dbraw/zinc/74/14/96/813741496.db2.gz KPJMYSFFDAIPDY-SNVBAGLBSA-N 1 0 294.359 -0.563 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001127714739 813743620 /nfs/dbraw/zinc/74/36/20/813743620.db2.gz UWOFIGQDHNMREZ-FRRDWIJNSA-N 1 0 290.367 -0.066 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@]23C[C@H]2COC3)C1=O ZINC001127747801 813745642 /nfs/dbraw/zinc/74/56/42/813745642.db2.gz HMJQGDOIYYPMGT-HUBLWGQQSA-N 1 0 293.367 -0.484 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127998656 813756878 /nfs/dbraw/zinc/75/68/78/813756878.db2.gz DYFZIWDYJAJDTH-NSHDSACASA-N 1 0 271.361 -0.191 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)CC(F)(F)F ZINC001127984443 813756964 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ZINC001128595098 813783606 /nfs/dbraw/zinc/78/36/06/813783606.db2.gz RIHLIXMDXCUHGL-UHFFFAOYSA-N 1 0 283.781 -0.616 20 30 CBEDRO CCN1C[C@H](C(=O)NCC[NH2+]CC#CCOC)CC1=O ZINC001128649126 813788335 /nfs/dbraw/zinc/78/83/35/813788335.db2.gz AUDSEBNSWBURGK-GFCCVEGCSA-N 1 0 281.356 -0.790 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001128657163 813789869 /nfs/dbraw/zinc/78/98/69/813789869.db2.gz JEZOFQXSPZKDKN-LBPRGKRZSA-N 1 0 283.372 -0.237 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCCNC(=O)C1CC1 ZINC001128696391 813795108 /nfs/dbraw/zinc/79/51/08/813795108.db2.gz JUUQLAASEPUMAK-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128691912 813795253 /nfs/dbraw/zinc/79/52/53/813795253.db2.gz PATVJIIEABMUEX-UHFFFAOYSA-N 1 0 287.360 -0.953 20 30 CBEDRO CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](n2ccnn2)C1 ZINC001128829465 813802877 /nfs/dbraw/zinc/80/28/77/813802877.db2.gz DJPRBMIHFPGYOY-AXFHLTTASA-N 1 0 262.317 -0.201 20 30 CBEDRO 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296.371 -0.463 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)cc1 ZINC001133111402 814214943 /nfs/dbraw/zinc/21/49/43/814214943.db2.gz APDLBMHTXSEGCG-GFCCVEGCSA-N 1 0 287.323 -0.555 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128593 814220227 /nfs/dbraw/zinc/22/02/27/814220227.db2.gz IEUWFKADLFSLPG-SSDOTTSWSA-N 1 0 291.149 -0.718 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133163825 814220892 /nfs/dbraw/zinc/22/08/92/814220892.db2.gz CFIHJIMDBMVEPX-UHFFFAOYSA-N 1 0 263.363 -0.663 20 30 CBEDRO CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133417205 814252610 /nfs/dbraw/zinc/25/26/10/814252610.db2.gz ARNPHKQZDYJBOC-NXEZZACHSA-N 1 0 254.334 -0.091 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133251790 814233112 /nfs/dbraw/zinc/23/31/12/814233112.db2.gz BOINPIABNFAFPE-LBPRGKRZSA-N 1 0 279.344 -0.651 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C ZINC001133302647 814240144 /nfs/dbraw/zinc/24/01/44/814240144.db2.gz PYIFFKXOINVMKD-NEPJUHHUSA-N 1 0 280.372 -0.248 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[C@@H](C)O1 ZINC001133324428 814240807 /nfs/dbraw/zinc/24/08/07/814240807.db2.gz VYJARWSDNDJBBZ-VXGBXAGGSA-N 1 0 281.356 -0.601 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335200 814242745 /nfs/dbraw/zinc/24/27/45/814242745.db2.gz LGCCXSKSXWQVDT-UHFFFAOYSA-N 1 0 266.301 -0.905 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1C[C@@H]1C ZINC001133342998 814244552 /nfs/dbraw/zinc/24/45/52/814244552.db2.gz MXNVRYBZAJRBQW-WDEREUQCSA-N 1 0 251.330 -0.512 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133381153 814247981 /nfs/dbraw/zinc/24/79/81/814247981.db2.gz XMZICNDOLNHHHZ-GFCCVEGCSA-N 1 0 291.417 -0.156 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001133383054 814248229 /nfs/dbraw/zinc/24/82/29/814248229.db2.gz GQFJJUAKOLYZII-NOZJJQNGSA-N 1 0 284.360 -0.122 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC(C)(F)F ZINC001133430555 814252526 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Cc1ccoc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133578037 814274233 /nfs/dbraw/zinc/27/42/33/814274233.db2.gz RVHSVIDIRMBIHK-UHFFFAOYSA-N 1 0 278.312 -0.524 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CCn2cncn2)c1 ZINC001133596877 814276739 /nfs/dbraw/zinc/27/67/39/814276739.db2.gz BTLSYCOMSDIRGZ-UHFFFAOYSA-N 1 0 284.323 -0.326 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133614509 814277174 /nfs/dbraw/zinc/27/71/74/814277174.db2.gz HAUBUBKBVSWLIJ-UWVGGRQHSA-N 1 0 250.306 -0.821 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133623465 814278325 /nfs/dbraw/zinc/27/83/25/814278325.db2.gz MGSCLCYBEXDPHR-NXEZZACHSA-N 1 0 254.334 -0.449 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133623466 814278559 /nfs/dbraw/zinc/27/85/59/814278559.db2.gz MGSCLCYBEXDPHR-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CC1 ZINC001133632243 814280008 /nfs/dbraw/zinc/28/00/08/814280008.db2.gz QHNSUNZTGPZIAN-UHFFFAOYSA-N 1 0 256.281 -0.918 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133633442 814280847 /nfs/dbraw/zinc/28/08/47/814280847.db2.gz SHGSKXZYXUPQKT-MNOVXSKESA-N 1 0 264.333 -0.431 20 30 CBEDRO CSCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133641689 814281958 /nfs/dbraw/zinc/28/19/58/814281958.db2.gz XBJRNYHTOGNEPG-VHSXEESVSA-N 1 0 286.401 -0.138 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CSC ZINC001133645596 814282109 /nfs/dbraw/zinc/28/21/09/814282109.db2.gz RCCIKOFQLGIQPE-WDEREUQCSA-N 1 0 285.413 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133676976 814285373 /nfs/dbraw/zinc/28/53/73/814285373.db2.gz ANSXEWQSYAYCBB-LLVKDONJSA-N 1 0 296.371 -0.947 20 30 CBEDRO Cc1cc(CCC(=O)NCC[NH2+]CC(=O)NCC#N)no1 ZINC001133668141 814285847 /nfs/dbraw/zinc/28/58/47/814285847.db2.gz QVCBATRREIPFHU-UHFFFAOYSA-N 1 0 293.327 -0.739 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1conc1C1CC1 ZINC001133673541 814286793 /nfs/dbraw/zinc/28/67/93/814286793.db2.gz LICXPODRSQBMTE-UHFFFAOYSA-N 1 0 290.323 -0.379 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CSCC#N ZINC001133736167 814290731 /nfs/dbraw/zinc/29/07/31/814290731.db2.gz LLAMEUXDGWNAEK-IUCAKERBSA-N 1 0 272.374 -0.399 20 30 CBEDRO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CSCC#N ZINC001133736200 814291640 /nfs/dbraw/zinc/29/16/40/814291640.db2.gz LTIHNUQYEPHHDQ-ZJUUUORDSA-N 1 0 286.401 -0.138 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773442 814296256 /nfs/dbraw/zinc/29/62/56/814296256.db2.gz GXVIGXZXMVBNOW-VHSXEESVSA-N 1 0 255.318 -0.699 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133788938 814296351 /nfs/dbraw/zinc/29/63/51/814296351.db2.gz IHHSMUVPTGZIET-NEPJUHHUSA-N 1 0 299.371 -0.135 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccn[nH]1 ZINC001133806862 814298293 /nfs/dbraw/zinc/29/82/93/814298293.db2.gz CAKYGUAMDPCYBP-VHSXEESVSA-N 1 0 292.343 -0.464 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(F)(F)C(F)F ZINC001133873320 814317817 /nfs/dbraw/zinc/31/78/17/814317817.db2.gz UZCOYKPWKMADSI-UHFFFAOYSA-N 1 0 297.252 -0.268 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001133882968 814318780 /nfs/dbraw/zinc/31/87/80/814318780.db2.gz BOBFWQFKADOOHY-UHFFFAOYSA-N 1 0 290.367 -0.134 20 30 CBEDRO CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133900132 814322751 /nfs/dbraw/zinc/32/27/51/814322751.db2.gz DPYDXBVXOKEMFF-RYUDHWBXSA-N 1 0 298.387 -0.074 20 30 CBEDRO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133942646 814327659 /nfs/dbraw/zinc/32/76/59/814327659.db2.gz FVFKUZSQAWQNEG-KGLIPLIRSA-N 1 0 285.347 -0.135 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133962407 814331610 /nfs/dbraw/zinc/33/16/10/814331610.db2.gz ICIKCAFKRGIHKQ-UHFFFAOYSA-N 1 0 275.356 -0.114 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001133997728 814334501 /nfs/dbraw/zinc/33/45/01/814334501.db2.gz BNBMVYZCXWVLKK-GFCCVEGCSA-N 1 0 293.371 -0.412 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014268 814338620 /nfs/dbraw/zinc/33/86/20/814338620.db2.gz OUVURTNSVWFUTA-DTWKUNHWSA-N 1 0 277.328 -0.142 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134021384 814339883 /nfs/dbraw/zinc/33/98/83/814339883.db2.gz AAMZGRLAUAFYCB-QWRGUYRKSA-N 1 0 269.345 -0.616 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134022332 814342426 /nfs/dbraw/zinc/34/24/26/814342426.db2.gz PGFAKAQPFMVOOP-VHSXEESVSA-N 1 0 284.360 -0.963 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134040766 814346958 /nfs/dbraw/zinc/34/69/58/814346958.db2.gz SJQGSEGZDKYGQM-UHFFFAOYSA-N 1 0 270.308 -0.528 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001134061988 814348734 /nfs/dbraw/zinc/34/87/34/814348734.db2.gz MLYRYFOGTRATAH-MNOVXSKESA-N 1 0 290.385 -0.672 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134083848 814348799 /nfs/dbraw/zinc/34/87/99/814348799.db2.gz KQLMICUBLJZBMR-GHMZBOCLSA-N 1 0 267.329 -0.991 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134099318 814350255 /nfs/dbraw/zinc/35/02/55/814350255.db2.gz PRKJDUKMDMTOPS-JTQLQIEISA-N 1 0 264.333 -0.483 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117058 814353620 /nfs/dbraw/zinc/35/36/20/814353620.db2.gz CDMSNTLJZAGERO-LOWDOPEQSA-N 1 0 295.383 -0.050 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117059 814353646 /nfs/dbraw/zinc/35/36/46/814353646.db2.gz CDMSNTLJZAGERO-LPWJVIDDSA-N 1 0 295.383 -0.050 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111142 814354152 /nfs/dbraw/zinc/35/41/52/814354152.db2.gz QWPZJGSNSNFTMK-VXGBXAGGSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CN=NC1=O ZINC001134135668 814355595 /nfs/dbraw/zinc/35/55/95/814355595.db2.gz WMJDBZORXIRGSS-VHSXEESVSA-N 1 0 265.317 -0.510 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001134161701 814357149 /nfs/dbraw/zinc/35/71/49/814357149.db2.gz ZWIWYQRHWNKKNW-DTWKUNHWSA-N 1 0 277.328 -0.142 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134160971 814357496 /nfs/dbraw/zinc/35/74/96/814357496.db2.gz GLMPRKRMLGBANL-UHFFFAOYSA-N 1 0 260.297 -0.850 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134209245 814362508 /nfs/dbraw/zinc/36/25/08/814362508.db2.gz LMQIYSYVLOYVSS-WDEREUQCSA-N 1 0 298.387 -0.702 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(=O)NC ZINC001134209242 814363373 /nfs/dbraw/zinc/36/33/73/814363373.db2.gz LMQIYSYVLOYVSS-GHMZBOCLSA-N 1 0 298.387 -0.702 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(C(F)(F)F)CC1 ZINC001134211507 814363718 /nfs/dbraw/zinc/36/37/18/814363718.db2.gz MQPITJIFBAJVDI-UHFFFAOYSA-N 1 0 292.261 -0.326 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(C)(C)O ZINC001134227072 814363834 /nfs/dbraw/zinc/36/38/34/814363834.db2.gz AVBGUVOBNVZRKI-WDEREUQCSA-N 1 0 298.387 -0.340 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)CC(C)(C)O)[NH2+]CC(=O)NCC#N ZINC001134227070 814363947 /nfs/dbraw/zinc/36/39/47/814363947.db2.gz AVBGUVOBNVZRKI-MNOVXSKESA-N 1 0 298.387 -0.340 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001134239476 814365065 /nfs/dbraw/zinc/36/50/65/814365065.db2.gz HMIJVMFMJBPWGY-WDEREUQCSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001134260515 814366429 /nfs/dbraw/zinc/36/64/29/814366429.db2.gz KMCGBOKCOQXZNM-WDEREUQCSA-N 1 0 268.361 -0.188 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC12CC2 ZINC001134305174 814371806 /nfs/dbraw/zinc/37/18/06/814371806.db2.gz KHXCJQAWDVUBNE-JTQLQIEISA-N 1 0 294.355 -0.496 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001134294263 814371881 /nfs/dbraw/zinc/37/18/81/814371881.db2.gz QBONMVHOINTGOP-UWVGGRQHSA-N 1 0 292.343 -0.464 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353041 814377084 /nfs/dbraw/zinc/37/70/84/814377084.db2.gz QWCYFUMVIGCKJO-MNOVXSKESA-N 1 0 291.417 -0.015 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134383702 814377849 /nfs/dbraw/zinc/37/78/49/814377849.db2.gz GWGGTNNPYQRTGE-QWRGUYRKSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456180 814385810 /nfs/dbraw/zinc/38/58/10/814385810.db2.gz PKHZCQOKRRQYTC-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499664 814388868 /nfs/dbraw/zinc/38/88/68/814388868.db2.gz GZDJKQVXSKREHX-WDEREUQCSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509523 814390229 /nfs/dbraw/zinc/39/02/29/814390229.db2.gz UKBVZWZCEOTCON-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134507992 814391114 /nfs/dbraw/zinc/39/11/14/814391114.db2.gz PFHXFKVDVKZFBY-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cnn2cc(C)cnc12 ZINC001134543560 814394913 /nfs/dbraw/zinc/39/49/13/814394913.db2.gz IRLDQKMDFQWJJU-UHFFFAOYSA-N 1 0 257.297 -0.010 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C(C)C)n1 ZINC001134591900 814397197 /nfs/dbraw/zinc/39/71/97/814397197.db2.gz ZWLANQAIAZVHLL-UHFFFAOYSA-N 1 0 291.355 -0.467 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1c(C)nn(C)c1OC ZINC001134594735 814397220 /nfs/dbraw/zinc/39/72/20/814397220.db2.gz XZAVEDDXVILUPL-UHFFFAOYSA-N 1 0 250.302 -0.310 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134610295 814400097 /nfs/dbraw/zinc/40/00/97/814400097.db2.gz UNGVNCAYSVNGHO-UHFFFAOYSA-N 1 0 277.390 -0.450 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134659835 814404355 /nfs/dbraw/zinc/40/43/55/814404355.db2.gz LTKLPODDGQBZKF-LLVKDONJSA-N 1 0 287.360 -0.954 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134659886 814404383 /nfs/dbraw/zinc/40/43/83/814404383.db2.gz MMJWQYPFSDHZBA-SNVBAGLBSA-N 1 0 260.359 -0.297 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001134666720 814405776 /nfs/dbraw/zinc/40/57/76/814405776.db2.gz RKNAYRCYBMZKFO-WDEREUQCSA-N 1 0 276.340 -0.100 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001134743857 814409864 /nfs/dbraw/zinc/40/98/64/814409864.db2.gz DZRAOKZKRYIHGM-WDEREUQCSA-N 1 0 274.386 -0.073 20 30 CBEDRO CC(C)c1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)on1 ZINC001134754343 814411233 /nfs/dbraw/zinc/41/12/33/814411233.db2.gz JLVIKRXIESQNAE-UHFFFAOYSA-N 1 0 293.327 -0.243 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787395 814413358 /nfs/dbraw/zinc/41/33/58/814413358.db2.gz KFBJFELTAJQKTL-OLZOCXBDSA-N 1 0 294.399 -0.734 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001134842384 814416698 /nfs/dbraw/zinc/41/66/98/814416698.db2.gz ADHUXTFGTZVYPT-WDEREUQCSA-N 1 0 279.344 -0.059 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134874124 814420222 /nfs/dbraw/zinc/42/02/22/814420222.db2.gz CCNRZHJZPXTLTC-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134899351 814421392 /nfs/dbraw/zinc/42/13/92/814421392.db2.gz WLNXUYCIMNHSFY-GHMZBOCLSA-N 1 0 292.339 -0.545 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1coc(C2CC2)n1 ZINC001134883575 814421627 /nfs/dbraw/zinc/42/16/27/814421627.db2.gz LDMGKMOOESJZHS-UHFFFAOYSA-N 1 0 290.323 -0.379 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134890247 814421901 /nfs/dbraw/zinc/42/19/01/814421901.db2.gz DFBIOJDXDAEYIO-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963535 814427364 /nfs/dbraw/zinc/42/73/64/814427364.db2.gz NMVHTWMTQVYDGI-UHFFFAOYSA-N 1 0 291.417 -0.014 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCn2cncn2)nn1 ZINC001134973196 814427902 /nfs/dbraw/zinc/42/79/02/814427902.db2.gz HWRFQLAQJMGFTO-UHFFFAOYSA-N 1 0 290.331 -0.925 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@H](C)O)nn1 ZINC001134970379 814427959 /nfs/dbraw/zinc/42/79/59/814427959.db2.gz VEJUBQCHVBEYEX-VIFPVBQESA-N 1 0 253.306 -0.836 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N(C)CC)nn1 ZINC001134980435 814429862 /nfs/dbraw/zinc/42/98/62/814429862.db2.gz DPFCDZRDXQMJBP-UHFFFAOYSA-N 1 0 294.359 -0.738 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135043775 814431336 /nfs/dbraw/zinc/43/13/36/814431336.db2.gz LKEVHMQKGLZANC-WDEREUQCSA-N 1 0 276.340 -0.100 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135093655 814437978 /nfs/dbraw/zinc/43/79/78/814437978.db2.gz XDTHLXIIDUIPCV-NEPJUHHUSA-N 1 0 293.371 -0.522 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnco1 ZINC001135123550 814438897 /nfs/dbraw/zinc/43/88/97/814438897.db2.gz OQSMHDOQOVDZSE-NXEZZACHSA-N 1 0 293.327 -0.199 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnco1 ZINC001135123551 814439917 /nfs/dbraw/zinc/43/99/17/814439917.db2.gz OQSMHDOQOVDZSE-UWVGGRQHSA-N 1 0 293.327 -0.199 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001135145473 814441036 /nfs/dbraw/zinc/44/10/36/814441036.db2.gz JOYARJOORPGOPV-STQMWFEESA-N 1 0 293.371 -0.035 20 30 CBEDRO CCc1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C)o1 ZINC001135162768 814441476 /nfs/dbraw/zinc/44/14/76/814441476.db2.gz GCHLVWOQDMTJBP-UHFFFAOYSA-N 1 0 293.327 -0.495 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176262 814442760 /nfs/dbraw/zinc/44/27/60/814442760.db2.gz NCTRMBRMTVHFSN-NEPJUHHUSA-N 1 0 282.388 -0.523 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214049 814446807 /nfs/dbraw/zinc/44/68/07/814446807.db2.gz FMZKEVWUPMHNMH-RKDXNWHRSA-N 1 0 250.306 -0.670 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135237368 814449698 /nfs/dbraw/zinc/44/96/98/814449698.db2.gz RZBQBBQUYXXQMU-UHFFFAOYSA-N 1 0 261.285 -0.060 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc(C(N)=O)s1 ZINC001135260846 814454014 /nfs/dbraw/zinc/45/40/14/814454014.db2.gz XGEOAPCPGQYZJG-UHFFFAOYSA-N 1 0 295.364 -0.184 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135273423 814455535 /nfs/dbraw/zinc/45/55/35/814455535.db2.gz RXPGVQQBUIIXCQ-UHFFFAOYSA-N 1 0 267.329 -0.289 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cncc(Cl)c1 ZINC001135288444 814458019 /nfs/dbraw/zinc/45/80/19/814458019.db2.gz OCFSVAPUYJDUBJ-UHFFFAOYSA-N 1 0 295.730 -0.306 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnn(C)n1 ZINC001135284477 814458889 /nfs/dbraw/zinc/45/88/89/814458889.db2.gz UKHSJSFWDRCSMK-UHFFFAOYSA-N 1 0 253.306 -0.663 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001135319960 814460895 /nfs/dbraw/zinc/46/08/95/814460895.db2.gz GZPRFOBDHJVDRM-ZJUUUORDSA-N 1 0 262.313 -0.110 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001135391534 814471560 /nfs/dbraw/zinc/47/15/60/814471560.db2.gz XBIRGEVRCCHPTK-UHFFFAOYSA-N 1 0 294.355 -0.401 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccncn1 ZINC001135537521 814487848 /nfs/dbraw/zinc/48/78/48/814487848.db2.gz 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C=CC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001317288771 816959208 /nfs/dbraw/zinc/95/92/08/816959208.db2.gz KZUPJDVODHXTNI-VIFPVBQESA-N 1 0 252.318 -0.382 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001317288395 816959296 /nfs/dbraw/zinc/95/92/96/816959296.db2.gz FCFHVPPVRCXVFB-QWHCGFSZSA-N 1 0 290.367 -0.276 20 30 CBEDRO CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001317289733 816959381 /nfs/dbraw/zinc/95/93/81/816959381.db2.gz MUELVSFILLUIFG-MNOVXSKESA-N 1 0 266.345 -0.353 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1ccnc1C ZINC001317291467 816960354 /nfs/dbraw/zinc/96/03/54/816960354.db2.gz VSPZBCWITOGFDQ-LBPRGKRZSA-N 1 0 278.356 -0.064 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001317295947 816960445 /nfs/dbraw/zinc/96/04/45/816960445.db2.gz DNRUFYRWSFUHJH-RYUDHWBXSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001317295945 816960628 /nfs/dbraw/zinc/96/06/28/816960628.db2.gz 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C#CC[N@@H+](CC)CCNC(=O)[C@@H](CC)NC(C)=O ZINC001317487413 816995399 /nfs/dbraw/zinc/99/53/99/816995399.db2.gz XBPXCRSKMLXOSH-GFCCVEGCSA-N 1 0 253.346 -0.028 20 30 CBEDRO C=CC[N@H+](CC)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001317489716 816996011 /nfs/dbraw/zinc/99/60/11/816996011.db2.gz CJYJVXVMFDQSTD-SNVBAGLBSA-N 1 0 275.374 -0.698 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001317505208 816997148 /nfs/dbraw/zinc/99/71/48/816997148.db2.gz NHXMBRKZYPZCJW-NEPJUHHUSA-N 1 0 254.330 -0.402 20 30 CBEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001317503887 816998243 /nfs/dbraw/zinc/99/82/43/816998243.db2.gz CIDXITYEWOWFGC-NSHDSACASA-N 1 0 264.333 -0.170 20 30 CBEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001317518379 817001918 /nfs/dbraw/zinc/00/19/18/817001918.db2.gz RVQPYRICIXGWSD-SNVBAGLBSA-N 1 0 250.306 -0.703 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC001317521612 817002105 /nfs/dbraw/zinc/00/21/05/817002105.db2.gz GOZPFKKGIUSFAF-NEPJUHHUSA-N 1 0 276.340 -0.666 20 30 CBEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001317518378 817003517 /nfs/dbraw/zinc/00/35/17/817003517.db2.gz RVQPYRICIXGWSD-JTQLQIEISA-N 1 0 250.306 -0.703 20 30 CBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001317535052 817004567 /nfs/dbraw/zinc/00/45/67/817004567.db2.gz MYKCMVHBWQEHAJ-LLVKDONJSA-N 1 0 290.323 -0.007 20 30 CBEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001317535532 817005629 /nfs/dbraw/zinc/00/56/29/817005629.db2.gz VQZBJOPILQVILD-GFCCVEGCSA-N 1 0 263.341 -0.416 20 30 CBEDRO C#CC[N@@H+](CCNC(=O)CN1CCOCC1=O)C1CC1 ZINC001317551402 817006987 /nfs/dbraw/zinc/00/69/87/817006987.db2.gz GHQIIOPGYBMTIV-UHFFFAOYSA-N 1 0 279.340 -0.941 20 30 CBEDRO C#CCC[N@@H+](CCNC(=O)c1cc(=O)n(C)cn1)C1CC1 ZINC001317552506 817007008 /nfs/dbraw/zinc/00/70/08/817007008.db2.gz STVVEBHGVGDSAA-UHFFFAOYSA-N 1 0 288.351 -0.002 20 30 CBEDRO CC#CC[N@H+](CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC001317561856 817010732 /nfs/dbraw/zinc/01/07/32/817010732.db2.gz PDUHAKGSEMHFNE-GFCCVEGCSA-N 1 0 299.396 -0.718 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1cncs1 ZINC001317569083 817014059 /nfs/dbraw/zinc/01/40/59/817014059.db2.gz IDISWUDLFZYDHU-UHFFFAOYSA-N 1 0 280.353 -0.446 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)c1occc1C ZINC001317567411 817014148 /nfs/dbraw/zinc/01/41/48/817014148.db2.gz HECKYWCMTUZXGZ-UHFFFAOYSA-N 1 0 277.324 -0.001 20 30 CBEDRO CO[C@H](C)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317570578 817015425 /nfs/dbraw/zinc/01/54/25/817015425.db2.gz NDTGNYSRKRCLIV-SNVBAGLBSA-N 1 0 270.333 -0.901 20 30 CBEDRO CO[C@@H](C)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317570575 817015855 /nfs/dbraw/zinc/01/58/55/817015855.db2.gz NDTGNYSRKRCLIV-JTQLQIEISA-N 1 0 270.333 -0.901 20 30 CBEDRO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317571631 817016123 /nfs/dbraw/zinc/01/61/23/817016123.db2.gz ZAUXTQQCZUKONS-WDEREUQCSA-N 1 0 282.344 -0.901 20 30 CBEDRO C=CCOCC(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001317574160 817016961 /nfs/dbraw/zinc/01/69/61/817016961.db2.gz NSRZZCFZDYUVEO-JTQLQIEISA-N 1 0 283.328 -0.958 20 30 CBEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C(=O)C(C)(C)C ZINC001317573465 817017031 /nfs/dbraw/zinc/01/70/31/817017031.db2.gz BFQFZVSVLKETDK-UHFFFAOYSA-N 1 0 282.344 -0.711 20 30 CBEDRO CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C#N ZINC001317573567 817017796 /nfs/dbraw/zinc/01/77/96/817017796.db2.gz QMYWEENIXGZJEP-SNVBAGLBSA-N 1 0 254.334 -0.281 20 30 CBEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cscn1 ZINC001317574463 817017994 /nfs/dbraw/zinc/01/79/94/817017994.db2.gz SBHHWJKINODSPQ-UHFFFAOYSA-N 1 0 281.341 -0.556 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cncnc1 ZINC001317578640 817019075 /nfs/dbraw/zinc/01/90/75/817019075.db2.gz ACYNFEVSYPHGSR-LLVKDONJSA-N 1 0 289.339 -0.724 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001317581117 817020367 /nfs/dbraw/zinc/02/03/67/817020367.db2.gz IOOFOBMZRXVBGE-SMDDNHRTSA-N 1 0 285.388 -0.162 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)COC(C)(C)C ZINC001317580322 817020805 /nfs/dbraw/zinc/02/08/05/817020805.db2.gz ZLPRIFSJPNMMBG-LBPRGKRZSA-N 1 0 297.399 -0.013 20 30 CBEDRO CN(CC[NH2+]CC(=O)N1CCC1)C(=O)c1cc(C#N)c[nH]1 ZINC001317579755 817021748 /nfs/dbraw/zinc/02/17/48/817021748.db2.gz ILFUUGZHWUZTGV-UHFFFAOYSA-N 1 0 289.339 -0.220 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1coc(C)n1 ZINC001317582106 817021915 /nfs/dbraw/zinc/02/19/15/817021915.db2.gz NPCQWQHZFSKAHO-JTQLQIEISA-N 1 0 292.339 -0.217 20 30 CBEDRO CO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001317583867 817023585 /nfs/dbraw/zinc/02/35/85/817023585.db2.gz QRFUEKJGTTXMKX-GFCCVEGCSA-N 1 0 282.344 -0.901 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001317592298 817024320 /nfs/dbraw/zinc/02/43/20/817024320.db2.gz XPDQVAUKPVRDQP-LLVKDONJSA-N 1 0 251.330 -0.464 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001317587132 817024400 /nfs/dbraw/zinc/02/44/00/817024400.db2.gz WCCNPFLVIOJQOE-GFCCVEGCSA-N 1 0 297.399 -0.013 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001317602460 817027802 /nfs/dbraw/zinc/02/78/02/817027802.db2.gz ZHCBANFQWAZRFH-NSHDSACASA-N 1 0 291.355 -0.383 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001317617784 817029864 /nfs/dbraw/zinc/02/98/64/817029864.db2.gz BWTOTQGZFKDAPQ-JTQLQIEISA-N 1 0 252.318 -0.919 20 30 CBEDRO COCC#CC[NH2+]CCN(C)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001317632824 817034830 /nfs/dbraw/zinc/03/48/30/817034830.db2.gz WQKXRCSHDQMQFZ-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)c1ccc(-n2ccnc2)nn1 ZINC001317640474 817037384 /nfs/dbraw/zinc/03/73/84/817037384.db2.gz RVEAQIJITUGDRH-UHFFFAOYSA-N 1 0 284.323 -0.043 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001317650313 817038942 /nfs/dbraw/zinc/03/89/42/817038942.db2.gz JTVOHKAMDMHGGD-LBPRGKRZSA-N 1 0 286.397 -0.118 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001317643156 817039466 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CC[C@H](C(=O)N(C)CCN1CCN(CC#N)CC1)[NH+](C)C ZINC001317824053 817051538 /nfs/dbraw/zinc/05/15/38/817051538.db2.gz JXPLTDUMFFNSDT-CQSZACIVSA-N 1 0 295.431 -0.074 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC001317931735 817055439 /nfs/dbraw/zinc/05/54/39/817055439.db2.gz QJLLXVUJOPZWRF-BFHYXJOUSA-N 1 0 298.383 -0.387 20 30 CBEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001317970528 817059139 /nfs/dbraw/zinc/05/91/39/817059139.db2.gz DSNVIEUABVMYCH-NSHDSACASA-N 1 0 289.401 -0.308 20 30 CBEDRO C=CCNC(=O)CN1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318055571 817069718 /nfs/dbraw/zinc/06/97/18/817069718.db2.gz DGXZFUBTIUFETJ-UHFFFAOYSA-N 1 0 294.399 -0.569 20 30 CBEDRO C#CCNC(=O)[C@H](C)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001318089513 817074905 /nfs/dbraw/zinc/07/49/05/817074905.db2.gz RRXYIRSNVYHHLT-LBPRGKRZSA-N 1 0 294.399 -0.735 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001318122755 817079346 /nfs/dbraw/zinc/07/93/46/817079346.db2.gz SXVXQQJQWKIDLX-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C[NH+](C)CCCC(=O)NCC1CN(CC(=O)NCC#N)C1 ZINC001318150286 817080319 /nfs/dbraw/zinc/08/03/19/817080319.db2.gz ZNKCCYNLKNXBLO-UHFFFAOYSA-N 1 0 295.387 -0.984 20 30 CBEDRO C=CCNC(=O)CN1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001318174151 817082208 /nfs/dbraw/zinc/08/22/08/817082208.db2.gz ZCGARXSNUGZCHV-UHFFFAOYSA-N 1 0 294.399 -0.568 20 30 CBEDRO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001318273159 817093823 /nfs/dbraw/zinc/09/38/23/817093823.db2.gz MTGPKLNWUKMGIC-QWRGUYRKSA-N 1 0 282.344 -0.939 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(N)=O)C2)CC1 ZINC001318480608 817112351 /nfs/dbraw/zinc/11/23/51/817112351.db2.gz SYCPLJDYVDAGQZ-GFCCVEGCSA-N 1 0 278.356 -0.399 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(N)=O)C2)CC1 ZINC001318480611 817112367 /nfs/dbraw/zinc/11/23/67/817112367.db2.gz SYCPLJDYVDAGQZ-LBPRGKRZSA-N 1 0 278.356 -0.399 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2ncn(C)c2=O)C1 ZINC001318472294 817113048 /nfs/dbraw/zinc/11/30/48/817113048.db2.gz HGQJCYPHFDVJBM-LBPRGKRZSA-N 1 0 293.371 -0.309 20 30 CBEDRO CC[C@@H](CNC(=O)C#CC(C)C)[NH2+]CC(=O)NC ZINC001318517107 817118435 /nfs/dbraw/zinc/11/84/35/817118435.db2.gz AHCKKXCCGCJOMP-NSHDSACASA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCC[NH2+][C@H](CC)CNC(=O)CCS(C)(=O)=O ZINC001318539590 817120868 /nfs/dbraw/zinc/12/08/68/817120868.db2.gz GIFKTMASYRUILB-LLVKDONJSA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001318541990 817121490 /nfs/dbraw/zinc/12/14/90/817121490.db2.gz QIYRTIXTBGYSRU-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)CC1CS(=O)(=O)C1 ZINC001318539284 817121566 /nfs/dbraw/zinc/12/15/66/817121566.db2.gz CTRFMVDJPQJCOT-LLVKDONJSA-N 1 0 272.370 -0.461 20 30 CBEDRO CC[C@H](CNC(=O)[C@@H]1C[C@H]1C)[NH2+]CC(=O)NCC#N ZINC001318553855 817122509 /nfs/dbraw/zinc/12/25/09/817122509.db2.gz DJNUIAVCTCQNIQ-GMTAPVOTSA-N 1 0 266.345 -0.233 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001318580201 817124747 /nfs/dbraw/zinc/12/47/47/817124747.db2.gz BBQLSFROUAKTFL-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1ccncn1 ZINC001318582249 817124855 /nfs/dbraw/zinc/12/48/55/817124855.db2.gz GMEXLNXTNYOSLM-LLVKDONJSA-N 1 0 289.339 -0.676 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001318596429 817125822 /nfs/dbraw/zinc/12/58/22/817125822.db2.gz UPJBWTZYVJNGPB-MRVPVSSYSA-N 1 0 294.311 -0.372 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1[nH]cnc1C ZINC001318615365 817127573 /nfs/dbraw/zinc/12/75/73/817127573.db2.gz YUUQCGPQZFUAHX-LLVKDONJSA-N 1 0 291.355 -0.434 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)COC)CCCC1 ZINC001318613403 817127663 /nfs/dbraw/zinc/12/76/63/817127663.db2.gz IBALJOYELLTNQG-GFCCVEGCSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@](C)(NC(=O)COC)C1CC1 ZINC001318675010 817132374 /nfs/dbraw/zinc/13/23/74/817132374.db2.gz KCECIOBTQPQZEV-XHDPSFHLSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CCC[NH2+]C[C@@](C)(NC(=O)Cn1cnnn1)C1CC1 ZINC001318677068 817132855 /nfs/dbraw/zinc/13/28/55/817132855.db2.gz LNKRRYFVFARZJI-CYBMUJFWSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CC[NH2+]C[C@@](C)(NC(=O)CCS(C)(=O)=O)C1CC1 ZINC001318702767 817135096 /nfs/dbraw/zinc/13/50/96/817135096.db2.gz OTAYFEZFPCTLJI-CYBMUJFWSA-N 1 0 286.397 -0.071 20 30 CBEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC001318892004 817147335 /nfs/dbraw/zinc/14/73/35/817147335.db2.gz WOMXRQUCTMFZEX-SNVBAGLBSA-N 1 0 252.318 -0.396 20 30 CBEDRO C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001318907521 817148513 /nfs/dbraw/zinc/14/85/13/817148513.db2.gz MBWWHDITSWDATA-CYBMUJFWSA-N 1 0 292.383 -0.139 20 30 CBEDRO CCOCCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001319057511 817162112 /nfs/dbraw/zinc/16/21/12/817162112.db2.gz JXRRFUFQNVSAIC-GFCCVEGCSA-N 1 0 296.371 -0.367 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001319066172 817163250 /nfs/dbraw/zinc/16/32/50/817163250.db2.gz JDMVUTUSPUITBA-NEPJUHHUSA-N 1 0 297.355 -0.122 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)CC(N)=O ZINC001319103548 817165770 /nfs/dbraw/zinc/16/57/70/817165770.db2.gz KQIPWRRYBGQINZ-CHWSQXEVSA-N 1 0 295.383 -0.272 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001319130338 817168633 /nfs/dbraw/zinc/16/86/33/817168633.db2.gz ULVROGGBFAADSY-SNVBAGLBSA-N 1 0 264.329 -0.383 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)CNC(=O)OC ZINC001319165471 817172036 /nfs/dbraw/zinc/17/20/36/817172036.db2.gz SEZBVOYTEYWMIE-NSHDSACASA-N 1 0 285.344 -0.666 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001319193272 817175940 /nfs/dbraw/zinc/17/59/40/817175940.db2.gz CBRZTVJMYRQCMT-NEPJUHHUSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319216533 817176982 /nfs/dbraw/zinc/17/69/82/817176982.db2.gz CJRCLQLJYBMXOU-XQQFMLRXSA-N 1 0 295.383 -0.225 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001319228052 817178527 /nfs/dbraw/zinc/17/85/27/817178527.db2.gz FWCIMCCHLNHIPD-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)CCNC(N)=O ZINC001319274687 817185271 /nfs/dbraw/zinc/18/52/71/817185271.db2.gz CURAVLFWIXCVRF-LLVKDONJSA-N 1 0 284.360 -0.964 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CS(=O)(=O)CC ZINC001319285421 817186134 /nfs/dbraw/zinc/18/61/34/817186134.db2.gz MBEASIIUWXQJHF-SNVBAGLBSA-N 1 0 260.359 -0.604 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001319285337 817186536 /nfs/dbraw/zinc/18/65/36/817186536.db2.gz ZBKSHASFVUNDPQ-LLVKDONJSA-N 1 0 291.355 -0.875 20 30 CBEDRO CC#CCN1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001319334295 817192955 /nfs/dbraw/zinc/19/29/55/817192955.db2.gz XVRFJYXYLYYSRN-CQSZACIVSA-N 1 0 279.384 -0.078 20 30 CBEDRO C#CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001319346085 817194284 /nfs/dbraw/zinc/19/42/84/817194284.db2.gz BBEPHVIFLZRATD-UHFFFAOYSA-N 1 0 277.328 -0.477 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)CCNC(=O)COC)CCCC1 ZINC001319353486 817195186 /nfs/dbraw/zinc/19/51/86/817195186.db2.gz MDHOQRQXVWUIQZ-UHFFFAOYSA-N 1 0 295.383 -0.209 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1CCOCC1 ZINC001319419178 817200220 /nfs/dbraw/zinc/20/02/20/817200220.db2.gz ZEOJZMMUYGZJIF-LLVKDONJSA-N 1 0 296.371 -0.511 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)COC ZINC001319411511 817201042 /nfs/dbraw/zinc/20/10/42/817201042.db2.gz JDLFAWGNRHSDKN-QWRGUYRKSA-N 1 0 271.361 -0.240 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)COC ZINC001319411509 817201211 /nfs/dbraw/zinc/20/12/11/817201211.db2.gz JDLFAWGNRHSDKN-MNOVXSKESA-N 1 0 271.361 -0.240 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)OC ZINC001319430379 817203838 /nfs/dbraw/zinc/20/38/38/817203838.db2.gz NCMGBBJCOVHCMB-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)OCC ZINC001319430017 817204067 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CC[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001319538933 817217455 /nfs/dbraw/zinc/21/74/55/817217455.db2.gz WKECUIVBBMOWMP-JSGCOSHPSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CCCN1C(=O)CNC1=O ZINC001319576112 817220674 /nfs/dbraw/zinc/22/06/74/817220674.db2.gz BTAFYVLKUDYHDK-NSHDSACASA-N 1 0 294.355 -0.612 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001319573470 817221031 /nfs/dbraw/zinc/22/10/31/817221031.db2.gz HQBCCNLREOKVDN-JTQLQIEISA-N 1 0 292.339 -0.441 20 30 CBEDRO C#CCOCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC ZINC001319655347 817230826 /nfs/dbraw/zinc/23/08/26/817230826.db2.gz FRZONOQDCRBNIJ-JTQLQIEISA-N 1 0 255.318 -0.198 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001319671656 817232448 /nfs/dbraw/zinc/23/24/48/817232448.db2.gz CORBCOLGDSLORT-DGCLKSJQSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O ZINC001319753058 817239021 /nfs/dbraw/zinc/23/90/21/817239021.db2.gz XSOSDFDNHFUTRG-QWHCGFSZSA-N 1 0 295.383 -0.129 20 30 CBEDRO CN(CCC#N)C(=O)CC[NH2+]C1(CO)CCOCC1 ZINC001319744588 817239125 /nfs/dbraw/zinc/23/91/25/817239125.db2.gz YTNSEOLQDUBXFG-UHFFFAOYSA-N 1 0 269.345 -0.120 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001319801263 817244440 /nfs/dbraw/zinc/24/44/40/817244440.db2.gz KLSXICYVIRCGRW-RYUDHWBXSA-N 1 0 286.397 -0.119 20 30 CBEDRO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001319801535 817244831 /nfs/dbraw/zinc/24/48/31/817244831.db2.gz LCDMONQMQBAWAW-MNOVXSKESA-N 1 0 298.412 -0.055 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001319825132 817245742 /nfs/dbraw/zinc/24/57/42/817245742.db2.gz ISWAQAZDZLTKSC-SECBINFHSA-N 1 0 260.301 -0.497 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C(C)C ZINC001319937589 817257083 /nfs/dbraw/zinc/25/70/83/817257083.db2.gz WQZJBWOCIQPTAL-VXGBXAGGSA-N 1 0 280.372 -0.236 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001320007583 817268171 /nfs/dbraw/zinc/26/81/71/817268171.db2.gz QWJHDIMHJNKRKV-UHFFFAOYSA-N 1 0 291.417 -0.108 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)Cc1cnc[nH]1 ZINC001320055755 817273525 /nfs/dbraw/zinc/27/35/25/817273525.db2.gz RTQZEALWZDGOGJ-UHFFFAOYSA-N 1 0 278.356 -0.008 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001320081331 817276469 /nfs/dbraw/zinc/27/64/69/817276469.db2.gz VUUCPOIDUYRGJP-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)CCCC(N)=O ZINC001320089429 817276552 /nfs/dbraw/zinc/27/65/52/817276552.db2.gz AJUNIYYFRYVOBX-UHFFFAOYSA-N 1 0 283.372 -0.318 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(C#N)CCOCC1 ZINC001320097284 817277609 /nfs/dbraw/zinc/27/76/09/817277609.db2.gz ALIAUFOOEUFWMU-GFCCVEGCSA-N 1 0 269.345 -0.264 20 30 CBEDRO CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001320119461 817279403 /nfs/dbraw/zinc/27/94/03/817279403.db2.gz XLOHUTVSXZIUJS-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC(N)=O ZINC001320132043 817280499 /nfs/dbraw/zinc/28/04/99/817280499.db2.gz VVUQBYNDOBTBNK-VXGBXAGGSA-N 1 0 281.356 -0.614 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ncnn1 ZINC001320130603 817280832 /nfs/dbraw/zinc/28/08/32/817280832.db2.gz JABUPKNURHPLKQ-NWDGAFQWSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2cnn(C)c2)CC1 ZINC001320142091 817281996 /nfs/dbraw/zinc/28/19/96/817281996.db2.gz HWPSVPZIEMHPDK-CQSZACIVSA-N 1 0 290.367 -0.085 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCNC(N)=O ZINC001320183508 817284199 /nfs/dbraw/zinc/28/41/99/817284199.db2.gz MAHKPKYIOIUBGY-RYUDHWBXSA-N 1 0 280.372 -0.057 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccsc1 ZINC001320184591 817286277 /nfs/dbraw/zinc/28/62/77/817286277.db2.gz FDABIGYJPFAPRN-SNVBAGLBSA-N 1 0 296.352 -0.932 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001320190411 817286787 /nfs/dbraw/zinc/28/67/87/817286787.db2.gz WTEYPLFGPMNJQU-KOLCDFICSA-N 1 0 269.345 -0.846 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC1CCOCC1 ZINC001320199614 817288621 /nfs/dbraw/zinc/28/86/21/817288621.db2.gz BTLFTFMQLUFYCN-CQSZACIVSA-N 1 0 298.383 -0.480 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)SC ZINC001320198492 817288783 /nfs/dbraw/zinc/28/87/83/817288783.db2.gz CHEBAAWTTYSXAR-QWRGUYRKSA-N 1 0 274.386 -0.546 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001320199176 817289303 /nfs/dbraw/zinc/28/93/03/817289303.db2.gz AEOCHYRABOQKMS-SNVBAGLBSA-N 1 0 278.374 -0.936 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001320203161 817289745 /nfs/dbraw/zinc/28/97/45/817289745.db2.gz UPXWGMPMVXWYLR-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnsn1 ZINC001320201165 817289842 /nfs/dbraw/zinc/28/98/42/817289842.db2.gz PDTYBVUMYWGANO-QMMMGPOBSA-N 1 0 254.315 -0.758 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001320203003 817289966 /nfs/dbraw/zinc/28/99/66/817289966.db2.gz LSHWQBIEEVZTEU-NSHDSACASA-N 1 0 265.288 -0.076 20 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RFJANCQMUZGQJM-HIFRSBDPSA-N 1 0 293.367 -0.025 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C=C1CCC1 ZINC001320214289 817295049 /nfs/dbraw/zinc/29/50/49/817295049.db2.gz CAXCUAGIUGVRPA-CYBMUJFWSA-N 1 0 266.341 -0.187 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001320217415 817296249 /nfs/dbraw/zinc/29/62/49/817296249.db2.gz OCRDPBFMRIUWFK-NWDGAFQWSA-N 1 0 283.372 -0.811 20 30 CBEDRO Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001320219569 817297451 /nfs/dbraw/zinc/29/74/51/817297451.db2.gz YJLWHIYGWUHQSN-LBPRGKRZSA-N 1 0 293.371 -0.569 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001320226845 817298230 /nfs/dbraw/zinc/29/82/30/817298230.db2.gz HXSLWJUXSRHFFZ-SECBINFHSA-N 1 0 286.282 -0.018 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001320227152 817298381 /nfs/dbraw/zinc/29/83/81/817298381.db2.gz LMNXDVUQZGRAQQ-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001320227151 817298794 /nfs/dbraw/zinc/29/87/94/817298794.db2.gz LMNXDVUQZGRAQQ-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001320227153 817298810 /nfs/dbraw/zinc/29/88/10/817298810.db2.gz LMNXDVUQZGRAQQ-RYUDHWBXSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001320232160 817299871 /nfs/dbraw/zinc/29/98/71/817299871.db2.gz MPDNORPSQGQWDW-PWSUYJOCSA-N 1 0 294.355 -0.614 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001320235604 817301152 /nfs/dbraw/zinc/30/11/52/817301152.db2.gz PHZNQRBZMUVNFQ-KBPBESRZSA-N 1 0 277.368 -0.826 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001320236363 817301358 /nfs/dbraw/zinc/30/13/58/817301358.db2.gz XTDFESUPAAHINF-GMTAPVOTSA-N 1 0 264.329 -0.234 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001320244294 817302518 /nfs/dbraw/zinc/30/25/18/817302518.db2.gz FNHYBVGFASZOFD-NSHDSACASA-N 1 0 279.340 -0.358 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cccc2ncnn21 ZINC001320244003 817302712 /nfs/dbraw/zinc/30/27/12/817302712.db2.gz DUZMKTRBTBFKTA-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001320242938 817302740 /nfs/dbraw/zinc/30/27/40/817302740.db2.gz PMUXGNQVQRXEHZ-SECBINFHSA-N 1 0 264.329 -0.235 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001320241792 817303323 /nfs/dbraw/zinc/30/33/23/817303323.db2.gz IHFCPDQKPFUNAF-LLVKDONJSA-N 1 0 292.339 -0.877 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001320247347 817304331 /nfs/dbraw/zinc/30/43/31/817304331.db2.gz BLGGQZMOLWOJQR-TUAOUCFPSA-N 1 0 254.330 -0.499 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001320257074 817305097 /nfs/dbraw/zinc/30/50/97/817305097.db2.gz KFZIXJVUFMPDGF-MNOVXSKESA-N 1 0 283.372 -0.456 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001320260655 817306357 /nfs/dbraw/zinc/30/63/57/817306357.db2.gz AMFQBXOPHWIKAV-QWHCGFSZSA-N 1 0 273.336 -0.189 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001320261829 817306721 /nfs/dbraw/zinc/30/67/21/817306721.db2.gz DKKGXPGKBWCKOM-WCQYABFASA-N 1 0 290.367 -0.775 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](OC)C(C)C ZINC001320270704 817310382 /nfs/dbraw/zinc/31/03/82/817310382.db2.gz NVBMKEIEQWHQRT-RYUDHWBXSA-N 1 0 256.346 -0.253 20 30 CBEDRO CCn1ccc(C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)n1 ZINC001320284064 817313995 /nfs/dbraw/zinc/31/39/95/817313995.db2.gz RISARZIZRRXVJJ-LBPRGKRZSA-N 1 0 294.355 -0.767 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cncc(OC)n1 ZINC001320284685 817314660 /nfs/dbraw/zinc/31/46/60/817314660.db2.gz WCAVTMWELNKVAJ-JTQLQIEISA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)COCc1ccncc1 ZINC001320292089 817316375 /nfs/dbraw/zinc/31/63/75/817316375.db2.gz IKBSVGNWRYBNDR-CYBMUJFWSA-N 1 0 277.324 -0.702 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001320292972 817316400 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C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001320357255 817326754 /nfs/dbraw/zinc/32/67/54/817326754.db2.gz PNAFAHSOZDXKIQ-SNVBAGLBSA-N 1 0 277.328 -0.743 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](O)C[C@H]2CO)CC1 ZINC001320398035 817333492 /nfs/dbraw/zinc/33/34/92/817333492.db2.gz PIPBHXFWSRXJQQ-STQMWFEESA-N 1 0 266.341 -0.714 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cccnn1 ZINC001320580336 817358422 /nfs/dbraw/zinc/35/84/22/817358422.db2.gz APKUUWZYDAVYAE-NSHDSACASA-N 1 0 289.339 -0.676 20 30 CBEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001320631249 817364397 /nfs/dbraw/zinc/36/43/97/817364397.db2.gz ORJFGQYWNFMJSP-JTQLQIEISA-N 1 0 282.344 -0.401 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)c1cocn1 ZINC001320694616 817376741 /nfs/dbraw/zinc/37/67/41/817376741.db2.gz RXTZHGUYMJYYLJ-LLVKDONJSA-N 1 0 292.339 -0.136 20 30 CBEDRO CCN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H](C)C#N ZINC001320694356 817376993 /nfs/dbraw/zinc/37/69/93/817376993.db2.gz JWJJEDCDLFVWEP-LLVKDONJSA-N 1 0 294.355 -0.267 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CCN3C(=O)N=NC3C2)CC1 ZINC001320699309 817378778 /nfs/dbraw/zinc/37/87/78/817378778.db2.gz PBAQMRWLTRQLMZ-UHFFFAOYSA-N 1 0 289.339 -0.329 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(CC)CC[NH2+]CC(=O)NC ZINC001320723507 817381040 /nfs/dbraw/zinc/38/10/40/817381040.db2.gz ZEQYCJMAQLQHQD-ZDUSSCGKSA-N 1 0 271.361 -0.502 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H](O)C(C)C ZINC001320725354 817383603 /nfs/dbraw/zinc/38/36/03/817383603.db2.gz XHVKGRBGZXJFRV-QWHCGFSZSA-N 1 0 297.399 -0.421 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H](CCC)S(N)(=O)=O ZINC001320802509 817395749 /nfs/dbraw/zinc/39/57/49/817395749.db2.gz ZSBVRANEKUHRMH-NSHDSACASA-N 1 0 289.401 -0.485 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCCN1C(N)=O ZINC001320890118 817407084 /nfs/dbraw/zinc/40/70/84/817407084.db2.gz VBXJMOKGWUGYCI-GFCCVEGCSA-N 1 0 280.372 -0.009 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC1CC1 ZINC001320940403 817413491 /nfs/dbraw/zinc/41/34/91/817413491.db2.gz MICOCIGGADUTOM-ONEGZZNKSA-N 1 0 263.341 -0.202 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C(C)(C)F ZINC001320944053 817413548 /nfs/dbraw/zinc/41/35/48/817413548.db2.gz PNVRMMJKIWUYEU-WAYWQWQTSA-N 1 0 269.320 -0.254 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CC ZINC001320937241 817414379 /nfs/dbraw/zinc/41/43/79/817414379.db2.gz CBRCZVKQKNEJHZ-MLRMMBSGSA-N 1 0 251.330 -0.204 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)c1cocn1 ZINC001320999266 817426092 /nfs/dbraw/zinc/42/60/92/817426092.db2.gz UCTQTFUAVYOXKG-ZWNMCFTASA-N 1 0 290.323 -0.312 20 30 CBEDRO CC[C@H]([NH2+]C/C=C/CNC(=O)C#CC1CC1)C(N)=O ZINC001321051422 817435741 /nfs/dbraw/zinc/43/57/41/817435741.db2.gz LYIOUPWXJFZYOB-PCAWENJQSA-N 1 0 263.341 -0.074 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cccn2nnnc12 ZINC001321077781 817438710 /nfs/dbraw/zinc/43/87/10/817438710.db2.gz JAFHIMIXFWMXMQ-ONEGZZNKSA-N 1 0 270.296 -0.367 20 30 CBEDRO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)n1cnc(C#N)n1 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SRLLSJRVGSNOSH-SECBINFHSA-N 1 0 261.285 -0.292 20 30 CBEDRO N#C[C@@H](Nc1cnc(O[C@@H]2CC[NH2+]C2)nc1)C(N)=O ZINC001170538021 820303435 /nfs/dbraw/zinc/30/34/35/820303435.db2.gz YCQAPNWMQWIWCJ-RKDXNWHRSA-N 1 0 262.273 -0.993 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001170652302 820310237 /nfs/dbraw/zinc/31/02/37/820310237.db2.gz IZFQAQYICCAPQV-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nc[nH]n1 ZINC001170726996 820312249 /nfs/dbraw/zinc/31/22/49/820312249.db2.gz UPQANBGVHVTDBG-JTQLQIEISA-N 1 0 294.359 -0.866 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001170742250 820315840 /nfs/dbraw/zinc/31/58/40/820315840.db2.gz KFSRFWNAEJMPQW-RYUDHWBXSA-N 1 0 283.372 -0.225 20 30 CBEDRO COC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c(C#N)n1 ZINC001170780606 820322310 /nfs/dbraw/zinc/32/23/10/820322310.db2.gz HNRALEUBLSBJCM-PRHODGIISA-N 1 0 276.296 -0.268 20 30 CBEDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C#N)nn1 ZINC001170870398 820331152 /nfs/dbraw/zinc/33/11/52/820331152.db2.gz PVOIFFFCAYLPQU-NXEZZACHSA-N 1 0 261.285 -0.089 20 30 CBEDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cncnc1C#N ZINC001170874249 820333056 /nfs/dbraw/zinc/33/30/56/820333056.db2.gz RVKCAYMFSGBMJK-PSASIEDQSA-N 1 0 261.285 -0.089 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])c1nc(C)cc(C#N)n1 ZINC001170992898 820341765 /nfs/dbraw/zinc/34/17/65/820341765.db2.gz SUDPBZNXAWCGBF-UHFFFAOYSA-N 1 0 263.301 -0.015 20 30 CBEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)NCC(N)=O ZINC001171201903 820348581 /nfs/dbraw/zinc/34/85/81/820348581.db2.gz SQRGKADQPJSDHR-JTQLQIEISA-N 1 0 274.324 -0.320 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001171299624 820356855 /nfs/dbraw/zinc/35/68/55/820356855.db2.gz JWVIWYXRCFJYIS-QWRGUYRKSA-N 1 0 294.355 -0.518 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]ncc2c1OCCN2C ZINC001171362635 820359582 /nfs/dbraw/zinc/35/95/82/820359582.db2.gz JPFOQWQPGGWODW-CBAPKCEASA-N 1 0 279.300 -0.047 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(C#C)cn1 ZINC001171585209 820361677 /nfs/dbraw/zinc/36/16/77/820361677.db2.gz MNQVSXIANROSCY-UHFFFAOYSA-N 1 0 298.346 -0.478 20 30 CBEDRO C#CCOc1ncccc1C(=O)NCCC[NH2+]CC(N)=O ZINC001171549304 820363057 /nfs/dbraw/zinc/36/30/57/820363057.db2.gz ZNIKRNACFPLEAX-UHFFFAOYSA-N 1 0 290.323 -0.712 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171616181 820363495 /nfs/dbraw/zinc/36/34/95/820363495.db2.gz MGNXTCZUDUKXRC-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)cn1 ZINC001171595085 820364221 /nfs/dbraw/zinc/36/42/21/820364221.db2.gz SITJXNBNMRNSOI-JTQLQIEISA-N 1 0 274.324 -0.354 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001171611486 820365000 /nfs/dbraw/zinc/36/50/00/820365000.db2.gz RAMGQTKXNBPNSC-GFCCVEGCSA-N 1 0 293.371 -0.520 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171710057 820367158 /nfs/dbraw/zinc/36/71/58/820367158.db2.gz SPKHGJHMBXBKKR-UHFFFAOYSA-N 1 0 262.313 -0.719 20 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268.357 -0.550 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC001251887716 825802838 /nfs/dbraw/zinc/80/28/38/825802838.db2.gz HRGKRLPBFFFLBY-ZDUSSCGKSA-N 1 0 256.346 -0.957 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1ccnc(OC)n1 ZINC001251890691 825802908 /nfs/dbraw/zinc/80/29/08/825802908.db2.gz GATQOHIVIZZCLQ-LLVKDONJSA-N 1 0 251.286 -0.415 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@H](O)COCC#C)C1=O ZINC001251896178 825804196 /nfs/dbraw/zinc/80/41/96/825804196.db2.gz CIMPGOCSYAHEFL-UONOGXRCSA-N 1 0 278.352 -0.399 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1(COC)CCOCC1 ZINC001251896261 825804543 /nfs/dbraw/zinc/80/45/43/825804543.db2.gz FFEGKIOXSHIFIG-LBPRGKRZSA-N 1 0 257.330 -0.218 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1ccnn1CCF ZINC001251900151 825805632 /nfs/dbraw/zinc/80/56/32/825805632.db2.gz KJPORGIHLZXGBW-GFCCVEGCSA-N 1 0 255.293 -0.047 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001251899765 825805863 /nfs/dbraw/zinc/80/58/63/825805863.db2.gz BEKPOCWCRDOUCY-LLVKDONJSA-N 1 0 275.370 -0.446 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001251899861 825806187 /nfs/dbraw/zinc/80/61/87/825806187.db2.gz DJRDEJNUTIQOIQ-IHRRRGAJSA-N 1 0 298.383 -0.340 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCN(c2cnccn2)C1 ZINC001251896941 825806287 /nfs/dbraw/zinc/80/62/87/825806287.db2.gz QMYWUCUMFPREBB-CHWSQXEVSA-N 1 0 276.340 -0.344 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@H](O)c1ccncc1 ZINC001251903766 825807276 /nfs/dbraw/zinc/80/72/76/825807276.db2.gz OVYBAXLIEYUDIF-OLZOCXBDSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@H](O)CNC(=[NH2+])n1nnc2ccccc21 ZINC001251906867 825807785 /nfs/dbraw/zinc/80/77/85/825807785.db2.gz OJUWOMCRQNKCGY-SNVBAGLBSA-N 1 0 273.296 -0.186 20 30 CBEDRO C=CCN1CC[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001252057956 825819313 /nfs/dbraw/zinc/81/93/13/825819313.db2.gz RQDCGJQXWXYPIU-JSGCOSHPSA-N 1 0 268.357 -0.160 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@H](O)C(=O)OC)C1=O ZINC001252445423 825863087 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C=C[C@@](C)(O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252580474 825876070 /nfs/dbraw/zinc/87/60/70/825876070.db2.gz CDGVYAMQMYTTAI-HOTUBEGUSA-N 1 0 258.318 -0.421 20 30 CBEDRO C=CCOC[C@@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001252463284 825867988 /nfs/dbraw/zinc/86/79/88/825867988.db2.gz NNVNECIBTBZJQB-IHRRRGAJSA-N 1 0 298.383 -0.414 20 30 CBEDRO C=CCOC[C@@H](O)CN1CCO[C@@H](CC(=O)OC)C1 ZINC001252468028 825868601 /nfs/dbraw/zinc/86/86/01/825868601.db2.gz JEVSSUCJVHFZMD-RYUDHWBXSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@H](O)C[N@@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001252473050 825869638 /nfs/dbraw/zinc/86/96/38/825869638.db2.gz FXORALKQOLMUEG-VXGBXAGGSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001252473194 825869711 /nfs/dbraw/zinc/86/97/11/825869711.db2.gz IORCFGHMZIBDGA-AWEZNQCLSA-N 1 0 298.383 -0.127 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001252473433 825870563 /nfs/dbraw/zinc/87/05/63/825870563.db2.gz KWJJCVNAHRFJEN-NSHDSACASA-N 1 0 269.345 -0.303 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC001252481346 825870776 /nfs/dbraw/zinc/87/07/76/825870776.db2.gz BSCJVNKCNWXMHA-NSHDSACASA-N 1 0 263.359 -0.283 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCCc1c[nH][nH]c1=O ZINC001252481480 825870938 /nfs/dbraw/zinc/87/09/38/825870938.db2.gz CNCUYNJOLGNKLN-WDEREUQCSA-N 1 0 255.318 -0.349 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001252492130 825872389 /nfs/dbraw/zinc/87/23/89/825872389.db2.gz WJVCYSXAXOVTHV-CYBMUJFWSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCN1CCC[C@H](O)C1 ZINC001252490876 825872982 /nfs/dbraw/zinc/87/29/82/825872982.db2.gz CRSROLRWGKGOBW-QWHCGFSZSA-N 1 0 258.362 -0.404 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001252549947 825874433 /nfs/dbraw/zinc/87/44/33/825874433.db2.gz IHAOUPPLZBUSBO-UONOGXRCSA-N 1 0 281.356 -0.654 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252552302 825874498 /nfs/dbraw/zinc/87/44/98/825874498.db2.gz VMXSQMCGWHLKPR-HUBLWGQQSA-N 1 0 295.383 -0.313 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1C[C@@H](OCC(=O)N(C)C)[C@H]2COC[C@H]21 ZINC001252549936 825874521 /nfs/dbraw/zinc/87/45/21/825874521.db2.gz LBMBHVPOLWXKNC-JLNYLFASSA-N 1 0 298.383 -0.273 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CCOC[C@]2(CN(C(C)=O)CCO2)C1 ZINC001252548160 825874685 /nfs/dbraw/zinc/87/46/85/825874685.db2.gz AWRKHMGDUNDBIX-LSDHHAIUSA-N 1 0 298.383 -0.127 20 30 CBEDRO C=C[C@@](C)(O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001252552303 825875011 /nfs/dbraw/zinc/87/50/11/825875011.db2.gz VMXSQMCGWHLKPR-SLEUVZQESA-N 1 0 295.383 -0.313 20 30 CBEDRO C=C[C@@](C)(O)C[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001252555167 825875395 /nfs/dbraw/zinc/87/53/95/825875395.db2.gz PWOACVCWHFGHLU-OAHLLOKOSA-N 1 0 283.416 -0.127 20 30 CBEDRO C=C[C@](C)(O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001252582518 825876405 /nfs/dbraw/zinc/87/64/05/825876405.db2.gz UCPKWDGHDVYXQG-NSHDSACASA-N 1 0 262.375 -0.757 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001252583071 825877092 /nfs/dbraw/zinc/87/70/92/825877092.db2.gz CMKYRFNQQFKWDK-GXFFZTMASA-N 1 0 271.361 -0.471 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCCN1CCCC1=O ZINC001252725242 825886412 /nfs/dbraw/zinc/88/64/12/825886412.db2.gz NAOGGVASNFHMCA-UHFFFAOYSA-N 1 0 266.345 -0.527 20 30 CBEDRO COC[C@@H](O)CNC(=[NH2+])c1ccc(S(C)(=O)=O)cc1 ZINC001252828727 825893240 /nfs/dbraw/zinc/89/32/40/825893240.db2.gz SPBXHCATJNYDIX-JTQLQIEISA-N 1 0 286.353 -0.197 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC[C@@H](O)C[NH+](CC)CC ZINC001253209466 825905867 /nfs/dbraw/zinc/90/58/67/825905867.db2.gz FOHCKHGEQGPBKC-GHMZBOCLSA-N 1 0 257.334 -0.266 20 30 CBEDRO C#CC[C@H](NC[C@@H](O)C[NH+](CC)CC)C(=O)OC ZINC001253214643 825906324 /nfs/dbraw/zinc/90/63/24/825906324.db2.gz RDHXEMFNKXHEHN-NEPJUHHUSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCOCCOCCNC[C@H](O)C[NH+](CC)CC ZINC001253213041 825907372 /nfs/dbraw/zinc/90/73/72/825907372.db2.gz KTOYQEIZAHGBRE-AWEZNQCLSA-N 1 0 272.389 -0.055 20 30 CBEDRO C#CC[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)C(=O)OC ZINC001253408126 825914115 /nfs/dbraw/zinc/91/41/15/825914115.db2.gz UQNPAVNSBKIOBE-QWRGUYRKSA-N 1 0 256.346 -0.110 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCC[C@@]2(C[C@H](OCC(=O)NC)CO2)C1 ZINC001253577917 825917269 /nfs/dbraw/zinc/91/72/69/825917269.db2.gz RBKFYWBHARCZTM-KCQAQPDRSA-N 1 0 298.383 -0.081 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001253583257 825917463 /nfs/dbraw/zinc/91/74/63/825917463.db2.gz ZLSRKJQFUSOEOQ-SRVKXCTJSA-N 1 0 281.356 -0.703 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCC[C@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001253577628 825917857 /nfs/dbraw/zinc/91/78/57/825917857.db2.gz ONOYMJJVKDZQEP-WFASDCNBSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=C[C@@H](O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC001253585444 825918352 /nfs/dbraw/zinc/91/83/52/825918352.db2.gz XQTUZWSTJSMQBK-LLVKDONJSA-N 1 0 262.375 -0.111 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCOCCOCCOCCOC ZINC001253604158 825919031 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ZINC001255159629 825976766 /nfs/dbraw/zinc/97/67/66/825976766.db2.gz ZEQGQPDPHRJJTA-LLVKDONJSA-N 1 0 259.375 -0.001 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC001256584559 826026605 /nfs/dbraw/zinc/02/66/05/826026605.db2.gz GLPYGNNBMMZGLZ-SNVBAGLBSA-N 1 0 275.299 -0.037 20 30 CBEDRO COCCN(CCOC)C(=O)NCC#CC[NH+](C)C ZINC001256580013 826027004 /nfs/dbraw/zinc/02/70/04/826027004.db2.gz RCEALEHISSZLHQ-UHFFFAOYSA-N 1 0 271.361 -0.144 20 30 CBEDRO CO[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CCO1 ZINC001256585177 826027022 /nfs/dbraw/zinc/02/70/22/826027022.db2.gz MXHSOXYRMGGGRK-NSHDSACASA-N 1 0 255.318 -0.434 20 30 CBEDRO CCCNC(=O)[C@@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001256585788 826027042 /nfs/dbraw/zinc/02/70/42/826027042.db2.gz UMHIQZWKMJIKBK-LLVKDONJSA-N 1 0 268.361 -0.235 20 30 CBEDRO CO[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CCO1 ZINC001256585172 826027069 /nfs/dbraw/zinc/02/70/69/826027069.db2.gz MXHSOXYRMGGGRK-LLVKDONJSA-N 1 0 255.318 -0.434 20 30 CBEDRO CCC1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001256866182 826035474 /nfs/dbraw/zinc/03/54/74/826035474.db2.gz DGJAHLQRXGGWMS-UWJTWVRFSA-N 1 0 289.372 -0.813 20 30 CBEDRO CC#CCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC001257473285 826048576 /nfs/dbraw/zinc/04/85/76/826048576.db2.gz UKUPMFUCHLWOIP-NSHDSACASA-N 1 0 253.346 -0.028 20 30 CBEDRO C=CCS(=O)(=O)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001259928188 826108368 /nfs/dbraw/zinc/10/83/68/826108368.db2.gz QEZCCTBMOKCQCG-UHFFFAOYSA-N 1 0 289.401 -0.402 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCC2(CC(=O)N2)CC1 ZINC001261238298 826497854 /nfs/dbraw/zinc/49/78/54/826497854.db2.gz XWBWCPQCDSPJOL-UHFFFAOYSA-N 1 0 251.330 -0.015 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC001261380618 826508757 /nfs/dbraw/zinc/50/87/57/826508757.db2.gz NHZHXJHKIQCDEM-NSHDSACASA-N 1 0 285.413 -0.041 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001261381034 826509150 /nfs/dbraw/zinc/50/91/50/826509150.db2.gz 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ZINC001267961215 827234717 /nfs/dbraw/zinc/23/47/17/827234717.db2.gz ZKIDAGHPWMJKPG-GFCCVEGCSA-N 1 0 284.323 -0.048 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)COC)C1=O ZINC001267975241 827235127 /nfs/dbraw/zinc/23/51/27/827235127.db2.gz SAANSKMXRFANEV-NEPJUHHUSA-N 1 0 283.372 -0.238 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001267978446 827236368 /nfs/dbraw/zinc/23/63/68/827236368.db2.gz FDGHUXOJNQPGLY-JTQLQIEISA-N 1 0 294.359 -0.927 20 30 CBEDRO CS[C@H](C)C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001267981178 827236467 /nfs/dbraw/zinc/23/64/67/827236467.db2.gz FDORQVMHNWSENV-NXEZZACHSA-N 1 0 286.401 -0.280 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1COC(=O)C1 ZINC001267979214 827236491 /nfs/dbraw/zinc/23/64/91/827236491.db2.gz DJIIRDDDTKVQCO-CHWSQXEVSA-N 1 0 296.367 -0.069 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cn1ncnn1 ZINC001267987375 827237447 /nfs/dbraw/zinc/23/74/47/827237447.db2.gz UYVQNPLVVOUSFF-NSHDSACASA-N 1 0 266.349 -0.019 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001267987675 827238131 /nfs/dbraw/zinc/23/81/31/827238131.db2.gz FLOKITBNDBVHKQ-NSHDSACASA-N 1 0 289.401 -0.757 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1cn(C)ccc1=O ZINC001267993335 827239124 /nfs/dbraw/zinc/23/91/24/827239124.db2.gz OGJHYZDBMWSAQY-LLVKDONJSA-N 1 0 261.325 -0.026 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001268004742 827240193 /nfs/dbraw/zinc/24/01/93/827240193.db2.gz OEJUTUVFJMCQLX-MNOVXSKESA-N 1 0 289.401 -0.711 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001268006633 827241139 /nfs/dbraw/zinc/24/11/39/827241139.db2.gz GYSDGLCIOYDGAO-NSHDSACASA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001268007058 827241440 /nfs/dbraw/zinc/24/14/40/827241440.db2.gz PXXKLMJLZYRVOB-LLVKDONJSA-N 1 0 276.340 -0.148 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268014481 827242509 /nfs/dbraw/zinc/24/25/09/827242509.db2.gz SHWSVMLEMHYPAH-MNOVXSKESA-N 1 0 289.401 -0.404 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268019900 827244708 /nfs/dbraw/zinc/24/47/08/827244708.db2.gz WGCKBRFUILXERY-GHMZBOCLSA-N 1 0 279.340 -0.596 20 30 CBEDRO CC#CC[NH+]1CC2(C1)CCN(C(=O)CCNC(N)=O)CC2 ZINC001268046862 827245371 /nfs/dbraw/zinc/24/53/71/827245371.db2.gz NGOPLEHFZOCHQC-UHFFFAOYSA-N 1 0 292.383 -0.008 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001268049304 827246916 /nfs/dbraw/zinc/24/69/16/827246916.db2.gz JEQZULVZKRRRNS-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)NC(C)=O ZINC001268049305 827247387 /nfs/dbraw/zinc/24/73/87/827247387.db2.gz JEQZULVZKRRRNS-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CC1CC1 ZINC001268049365 827248094 /nfs/dbraw/zinc/24/80/94/827248094.db2.gz YQIBFUBFCQKWBX-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001268049306 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C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCNC1=O ZINC001268069456 827251769 /nfs/dbraw/zinc/25/17/69/827251769.db2.gz UFTRPXKBOXMOHZ-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001268068608 827252286 /nfs/dbraw/zinc/25/22/86/827252286.db2.gz MUBUKFLIIYXGNY-KBPBESRZSA-N 1 0 281.400 -0.097 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001268068799 827252473 /nfs/dbraw/zinc/25/24/73/827252473.db2.gz ORAXCSJTYFAHNN-UWVGGRQHSA-N 1 0 282.344 -0.403 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001268078239 827252960 /nfs/dbraw/zinc/25/29/60/827252960.db2.gz CFXIGTMLAAHNEQ-VIFPVBQESA-N 1 0 250.306 -0.717 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1cnc[nH]1 ZINC001268085690 827254732 /nfs/dbraw/zinc/25/47/32/827254732.db2.gz OAFOSJMLRXQUNT-NSHDSACASA-N 1 0 291.355 -0.862 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268085566 827255464 /nfs/dbraw/zinc/25/54/64/827255464.db2.gz NHYGVIPMMPQXQM-ZJUUUORDSA-N 1 0 282.344 -0.403 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268098609 827255971 /nfs/dbraw/zinc/25/59/71/827255971.db2.gz GMBNMLZZACEHNW-SNVBAGLBSA-N 1 0 294.359 -0.610 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268093785 827256336 /nfs/dbraw/zinc/25/63/36/827256336.db2.gz LDFDOXIMBKFJTB-NSHDSACASA-N 1 0 296.371 -0.107 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001268093769 827256389 /nfs/dbraw/zinc/25/63/89/827256389.db2.gz LDFDOXIMBKFJTB-LLVKDONJSA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001268100727 827257524 /nfs/dbraw/zinc/25/75/24/827257524.db2.gz ZMZXCDOUZAJRRC-JTQLQIEISA-N 1 0 294.359 -0.610 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(=O)NCC)C[C@H]1C ZINC001268125810 827259000 /nfs/dbraw/zinc/25/90/00/827259000.db2.gz HLPZUANZGNIXQL-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001268130084 827259444 /nfs/dbraw/zinc/25/94/44/827259444.db2.gz AWVRMSDNKLCNSA-GHMZBOCLSA-N 1 0 266.345 -0.625 20 30 CBEDRO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cnnn1 ZINC001268181212 827260007 /nfs/dbraw/zinc/26/00/07/827260007.db2.gz QHRMTTVLGFAVPW-RYUDHWBXSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001268178806 827260170 /nfs/dbraw/zinc/26/01/70/827260170.db2.gz UIMFYRLXNLWNDJ-CHWSQXEVSA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@H](C)NC(C)=O)C(C)C ZINC001268202614 827260406 /nfs/dbraw/zinc/26/04/06/827260406.db2.gz GQBZYFJOKWOJMZ-CMPLNLGQSA-N 1 0 253.346 -0.125 20 30 CBEDRO CC(C)[C@H](CNC(=O)c1ccn[nH]1)[NH2+]CC(=O)NCC#N ZINC001268207227 827261343 /nfs/dbraw/zinc/26/13/43/827261343.db2.gz UDHMZLNINVISQF-NSHDSACASA-N 1 0 292.343 -0.607 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001268204231 827262184 /nfs/dbraw/zinc/26/21/84/827262184.db2.gz UEEBKXIYVORWMO-NSHDSACASA-N 1 0 266.349 -0.020 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1cc2n(n1)CCO2 ZINC001268238568 827266926 /nfs/dbraw/zinc/26/69/26/827266926.db2.gz IFPXCMUNLKZVET-UHFFFAOYSA-N 1 0 262.313 -0.088 20 30 CBEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001268239582 827267123 /nfs/dbraw/zinc/26/71/23/827267123.db2.gz PRSSHKODLAZXPW-UHFFFAOYSA-N 1 0 291.417 -0.156 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268246007 827270372 /nfs/dbraw/zinc/27/03/72/827270372.db2.gz VUJYPXPGKGDGBH-JTQLQIEISA-N 1 0 254.334 -0.414 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)c1nnn(C)n1 ZINC001268246145 827271019 /nfs/dbraw/zinc/27/10/19/827271019.db2.gz WQWKAIKNNAHJBE-UHFFFAOYSA-N 1 0 250.306 -0.763 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1nnc[nH]1 ZINC001268284490 827278986 /nfs/dbraw/zinc/27/89/86/827278986.db2.gz ASVSIZWBQLZNQN-NEPJUHHUSA-N 1 0 291.355 -0.057 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC=CC1 ZINC001268295185 827280659 /nfs/dbraw/zinc/28/06/59/827280659.db2.gz CEDLANYDKILMDB-DGCLKSJQSA-N 1 0 295.383 -0.290 20 30 CBEDRO C/C(=C\C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001268296069 827280957 /nfs/dbraw/zinc/28/09/57/827280957.db2.gz BYCLCCYMENOROT-JXPAYYINSA-N 1 0 294.355 -0.951 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccn1C ZINC001268299039 827282676 /nfs/dbraw/zinc/28/26/76/827282676.db2.gz KPYCMEKPFRXNCJ-GFCCVEGCSA-N 1 0 279.340 -0.645 20 30 CBEDRO CCCCC(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001268298333 827282939 /nfs/dbraw/zinc/28/29/39/827282939.db2.gz IUHSZGCQAUTSTP-LBPRGKRZSA-N 1 0 256.346 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001268299832 827283607 /nfs/dbraw/zinc/28/36/07/827283607.db2.gz FTOQFOAQZWUVJA-RYUDHWBXSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C=C1CCC1 ZINC001268302640 827286669 /nfs/dbraw/zinc/28/66/69/827286669.db2.gz TXEUUCLKTUXLFQ-YPMHNXCESA-N 1 0 295.383 -0.146 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCF ZINC001268307158 827289649 /nfs/dbraw/zinc/28/96/49/827289649.db2.gz DUKGZJBKUFSCQP-NEPJUHHUSA-N 1 0 271.336 -0.880 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnn2ncccc12 ZINC001268309394 827291241 /nfs/dbraw/zinc/29/12/41/827291241.db2.gz UWCWLVDMEPUUJT-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268311532 827292454 /nfs/dbraw/zinc/29/24/54/827292454.db2.gz KEROTJHGVLYKQN-LLVKDONJSA-N 1 0 292.339 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(Cl)cnn1C ZINC001268310048 827292669 /nfs/dbraw/zinc/29/26/69/827292669.db2.gz ZWGBPNIOJQWFDP-QMMMGPOBSA-N 1 0 270.720 -0.613 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001268312698 827293359 /nfs/dbraw/zinc/29/33/59/827293359.db2.gz IBXHUWXADWUARN-QWRGUYRKSA-N 1 0 269.345 -0.702 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001268311536 827293367 /nfs/dbraw/zinc/29/33/67/827293367.db2.gz KFQXWVOVWLOEJK-CYBMUJFWSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001268313412 827293949 /nfs/dbraw/zinc/29/39/49/827293949.db2.gz DBHBJTVDGPGBIN-QWHCGFSZSA-N 1 0 285.388 -0.650 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001268312787 827293957 /nfs/dbraw/zinc/29/39/57/827293957.db2.gz IWGZSQKLTCXZDX-SNVBAGLBSA-N 1 0 280.328 -0.868 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)o1 ZINC001268314410 827294707 /nfs/dbraw/zinc/29/47/07/827294707.db2.gz ZJPHPSZUVLHCJZ-VIFPVBQESA-N 1 0 279.296 -0.918 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001268315546 827296027 /nfs/dbraw/zinc/29/60/27/827296027.db2.gz DRMYLPOQYTZMOH-UPJWGTAASA-N 1 0 266.341 -0.499 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001268318927 827297289 /nfs/dbraw/zinc/29/72/89/827297289.db2.gz DHRKMCXHOFZOKK-ZOBORPQBSA-N 1 0 280.368 -0.251 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001268322689 827299502 /nfs/dbraw/zinc/29/95/02/827299502.db2.gz ZCNIKOSKIKZWSY-AAEUAGOBSA-N 1 0 292.383 -0.222 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001268326150 827300695 /nfs/dbraw/zinc/30/06/95/827300695.db2.gz COTPGTCSPSIPGQ-PWSUYJOCSA-N 1 0 276.340 -0.786 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001268325916 827301319 /nfs/dbraw/zinc/30/13/19/827301319.db2.gz BQYSCFSYADLIQU-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C)CC(=C)C1 ZINC001268324597 827301634 /nfs/dbraw/zinc/30/16/34/827301634.db2.gz UTCPIPWYOSYTSF-LBPRGKRZSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1nccc1C ZINC001268324255 827301787 /nfs/dbraw/zinc/30/17/87/827301787.db2.gz MREUOAKXYDLWIW-LLVKDONJSA-N 1 0 252.318 -0.556 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001268327560 827303260 /nfs/dbraw/zinc/30/32/60/827303260.db2.gz JJELNHNYGIOSMV-AWEZNQCLSA-N 1 0 290.367 -0.003 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001268326411 827303390 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C=CCC1(C(=O)NC[C@@H](O)C[NH2+]CCO)CCOCC1 ZINC001268332558 827306428 /nfs/dbraw/zinc/30/64/28/827306428.db2.gz PDARTQUMBLOFQY-LBPRGKRZSA-N 1 0 286.372 -0.582 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001268333886 827306760 /nfs/dbraw/zinc/30/67/60/827306760.db2.gz HNUMRJSTXCRTOX-CYBMUJFWSA-N 1 0 278.356 -0.328 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001268333806 827306880 /nfs/dbraw/zinc/30/68/80/827306880.db2.gz GUTSSMCCTPSRED-VXGBXAGGSA-N 1 0 293.371 -0.517 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(C)nc1 ZINC001268334999 827307311 /nfs/dbraw/zinc/30/73/11/827307311.db2.gz IERNQGICGRNMLS-ZDUSSCGKSA-N 1 0 261.325 -0.368 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001268336325 827307239 /nfs/dbraw/zinc/30/72/39/827307239.db2.gz RRISIUPTGBWDMD-LBPRGKRZSA-N 1 0 275.308 -0.901 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001268336530 827309026 /nfs/dbraw/zinc/30/90/26/827309026.db2.gz UPKOPRNZNRKKAU-NSHDSACASA-N 1 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C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268662952 827396035 /nfs/dbraw/zinc/39/60/35/827396035.db2.gz CQKRQCHZUHNQGW-ZJUUUORDSA-N 1 0 282.344 -0.355 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001268675135 827400367 /nfs/dbraw/zinc/40/03/67/827400367.db2.gz YLMKCOWQTWKIKO-GFCCVEGCSA-N 1 0 297.399 -0.107 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccn[nH]1 ZINC001268678671 827400893 /nfs/dbraw/zinc/40/08/93/827400893.db2.gz MOCPWSKIBPKJIT-VHSXEESVSA-N 1 0 279.344 -0.192 20 30 CBEDRO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)CSCC#N ZINC001268678977 827401243 /nfs/dbraw/zinc/40/12/43/827401243.db2.gz VJHJPMIEXQZJCI-JTQLQIEISA-N 1 0 282.373 -0.371 20 30 CBEDRO CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001268687669 827403355 /nfs/dbraw/zinc/40/33/55/827403355.db2.gz ZTBWZRPCMIHCHF-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO CCn1ncc(C(=O)N[C@@H](C)C[NH2+]CC#CCOC)n1 ZINC001268685220 827403836 /nfs/dbraw/zinc/40/38/36/827403836.db2.gz 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CC[C@H](C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1)OC ZINC001272413730 827794284 /nfs/dbraw/zinc/79/42/84/827794284.db2.gz HZEMQHMCRSDLLF-QWHCGFSZSA-N 1 0 268.357 -0.109 20 30 CBEDRO C[C@H]([NH2+]C[C@H](O)CNC(=O)C#CC(C)(C)C)C(=O)N(C)C ZINC001272414117 827794930 /nfs/dbraw/zinc/79/49/30/827794930.db2.gz LSIOURQIDJDFHC-RYUDHWBXSA-N 1 0 297.399 -0.421 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001272426015 827795992 /nfs/dbraw/zinc/79/59/92/827795992.db2.gz QHZJXSSVJKWINV-STQMWFEESA-N 1 0 295.383 -0.665 20 30 CBEDRO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C#CC1CC1 ZINC001272414735 827796034 /nfs/dbraw/zinc/79/60/34/827796034.db2.gz SBVOJJLBXWZBRC-CYBMUJFWSA-N 1 0 295.383 -0.761 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001272414513 827796375 /nfs/dbraw/zinc/79/63/75/827796375.db2.gz PTQAKRJWKXGHLB-RYUDHWBXSA-N 1 0 272.345 -0.565 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001272415521 827796545 /nfs/dbraw/zinc/79/65/45/827796545.db2.gz 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C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ncccc1OC ZINC001272503609 827809051 /nfs/dbraw/zinc/80/90/51/827809051.db2.gz FTKHQIYEUWNLCT-NSHDSACASA-N 1 0 277.324 -0.667 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001272504206 827809641 /nfs/dbraw/zinc/80/96/41/827809641.db2.gz MEBJUMGOOLSCHK-VXGBXAGGSA-N 1 0 290.367 -0.460 20 30 CBEDRO C#CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272523468 827813348 /nfs/dbraw/zinc/81/33/48/827813348.db2.gz ABNXOIQDXKSIIK-SWLSCSKDSA-N 1 0 275.352 -0.177 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001272530447 827814652 /nfs/dbraw/zinc/81/46/52/827814652.db2.gz UWMDPBDCNJEHFZ-CYBMUJFWSA-N 1 0 293.367 -0.200 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001272529864 827816204 /nfs/dbraw/zinc/81/62/04/827816204.db2.gz NJDLDTSITVRFRV-LBPRGKRZSA-N 1 0 274.320 -0.065 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccnc(N(C)C)c1 ZINC001272536342 827817621 /nfs/dbraw/zinc/81/76/21/827817621.db2.gz BCBYRRAXJWPVAR-ZDUSSCGKSA-N 1 0 290.367 -0.149 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001272545712 827818920 /nfs/dbraw/zinc/81/89/20/827818920.db2.gz OZXORXJINHDNTH-MRVPVSSYSA-N 1 0 283.353 -0.287 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272545498 827819613 /nfs/dbraw/zinc/81/96/13/827819613.db2.gz KZBDXBVOIBTYAL-LLVKDONJSA-N 1 0 294.355 -0.480 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(NC(C)=O)c1 ZINC001272545668 827819689 /nfs/dbraw/zinc/81/96/89/827819689.db2.gz OSQMRWBIZCWCKX-LBPRGKRZSA-N 1 0 290.323 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)COc1ccsc1 ZINC001272559452 827821171 /nfs/dbraw/zinc/82/11/71/827821171.db2.gz IQDWXQBCKVIIBM-JTQLQIEISA-N 1 0 268.338 -0.173 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1OC ZINC001272567223 827821687 /nfs/dbraw/zinc/82/16/87/827821687.db2.gz MYPMALNTJYOBKA-SNVBAGLBSA-N 1 0 280.328 -0.868 20 30 CBEDRO C#Cc1ccccc1CC(=O)NC[C@H](O)C[NH2+]CCO ZINC001272568064 827822178 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C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc(OCC)cn1 ZINC001272593691 827827945 /nfs/dbraw/zinc/82/79/45/827827945.db2.gz ZPWMWSUIPCWRBP-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cccn1 ZINC001272646169 827828836 /nfs/dbraw/zinc/82/88/36/827828836.db2.gz FZXPMMDFRDEBAA-GFCCVEGCSA-N 1 0 291.355 -0.883 20 30 CBEDRO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CSCC#N ZINC001272657137 827829778 /nfs/dbraw/zinc/82/97/78/827829778.db2.gz IFOPORWYNGZZDR-RKDXNWHRSA-N 1 0 272.374 -0.399 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cccn1 ZINC001272646170 827829808 /nfs/dbraw/zinc/82/98/08/827829808.db2.gz FZXPMMDFRDEBAA-LBPRGKRZSA-N 1 0 291.355 -0.883 20 30 CBEDRO C#CCN1C[C@@]2(CCN(Cc3cnn(C)c3)C2)OCC1=O ZINC001272675619 827831609 /nfs/dbraw/zinc/83/16/09/827831609.db2.gz LIBKBAWQWKRGQC-HNNXBMFYSA-N 1 0 288.351 -0.143 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CSCC#N ZINC001272657609 827831723 /nfs/dbraw/zinc/83/17/23/827831723.db2.gz NVTKKGVLPKQIRE-VHSXEESVSA-N 1 0 286.401 -0.138 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001272687832 827833004 /nfs/dbraw/zinc/83/30/04/827833004.db2.gz BUOXTIKMJNIBJE-UWVGGRQHSA-N 1 0 265.317 -0.730 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001272688273 827834523 /nfs/dbraw/zinc/83/45/23/827834523.db2.gz IJHBYZSBASLASR-NEPJUHHUSA-N 1 0 296.371 -0.511 20 30 CBEDRO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001272710738 827834955 /nfs/dbraw/zinc/83/49/55/827834955.db2.gz DKUFKESCDRVPNG-QMMMGPOBSA-N 1 0 263.301 -0.530 20 30 CBEDRO COC[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001272730257 827838381 /nfs/dbraw/zinc/83/83/81/827838381.db2.gz RICMQTVZNRUTLM-GWCFXTLKSA-N 1 0 294.355 -0.008 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001272764134 827838535 /nfs/dbraw/zinc/83/85/35/827838535.db2.gz GVYLVTMZMCWRIU-SECBINFHSA-N 1 0 278.316 -0.853 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ncc[nH]1 ZINC001272764135 827839393 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292.343 -0.993 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2cncn2)CCO1 ZINC001273243695 827876182 /nfs/dbraw/zinc/87/61/82/827876182.db2.gz FPIXDUAPIPIQBH-QWHCGFSZSA-N 1 0 291.355 -0.321 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001273244256 827876413 /nfs/dbraw/zinc/87/64/13/827876413.db2.gz NTTZSTCNZKKLIP-GFCCVEGCSA-N 1 0 272.308 -0.050 20 30 CBEDRO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)[nH]1 ZINC001273243742 827876536 /nfs/dbraw/zinc/87/65/36/827876536.db2.gz GHEPCOOJZSSCJF-NSHDSACASA-N 1 0 278.312 -0.691 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CCO1 ZINC001273237795 827877657 /nfs/dbraw/zinc/87/76/57/827877657.db2.gz SYNJOUORMUNKGK-LLVKDONJSA-N 1 0 262.313 -0.218 20 30 CBEDRO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C#CC(C)C)CCO1 ZINC001273260415 827879540 /nfs/dbraw/zinc/87/95/40/827879540.db2.gz IYPNISXVOKJLNZ-KBPBESRZSA-N 1 0 298.383 -0.530 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273259852 827880379 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1 0 295.383 -0.138 20 30 CBEDRO C=C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273886402 827937801 /nfs/dbraw/zinc/93/78/01/827937801.db2.gz YBFRBQFGECKGLA-GXTWGEPZSA-N 1 0 282.340 -0.765 20 30 CBEDRO C#CCN1C[C@]2(CC[N@@H+](C[C@@H](O)C(C)C)C2)OCC1=O ZINC001273890261 827937873 /nfs/dbraw/zinc/93/78/73/827937873.db2.gz DDCWOVKYOVXVOH-UKRRQHHQSA-N 1 0 280.368 -0.060 20 30 CBEDRO C=C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273886403 827937904 /nfs/dbraw/zinc/93/79/04/827937904.db2.gz YBFRBQFGECKGLA-JSGCOSHPSA-N 1 0 282.340 -0.765 20 30 CBEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001273886179 827938309 /nfs/dbraw/zinc/93/83/09/827938309.db2.gz VZLYJMDRTUIVSO-YNEHKIRRSA-N 1 0 266.341 -0.003 20 30 CBEDRO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NCC#N)C1 ZINC001273911541 827940507 /nfs/dbraw/zinc/94/05/07/827940507.db2.gz OSSMIXTWHHFZPI-ZDUSSCGKSA-N 1 0 268.361 -0.595 20 30 CBEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cnn(C)n2)C1 ZINC001273920155 827942420 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C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C=C1CCC1 ZINC001278060151 828239329 /nfs/dbraw/zinc/23/93/29/828239329.db2.gz DCJONGIWNCAHHC-GFCCVEGCSA-N 1 0 281.356 -0.534 20 30 CBEDRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N)n1 ZINC001278053907 828239783 /nfs/dbraw/zinc/23/97/83/828239783.db2.gz LVIOEOZWFLTULO-KOLCDFICSA-N 1 0 295.343 -0.463 20 30 CBEDRO Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N)n1 ZINC001278053910 828239902 /nfs/dbraw/zinc/23/99/02/828239902.db2.gz LVIOEOZWFLTULO-ONGXEEELSA-N 1 0 295.343 -0.463 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCOC1 ZINC001278060579 828239995 /nfs/dbraw/zinc/23/99/95/828239995.db2.gz FXVCSMQLPOXZBB-NWDGAFQWSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nccc(C)n1 ZINC001278073065 828241802 /nfs/dbraw/zinc/24/18/02/828241802.db2.gz YBXSDKZWHHETRK-LLVKDONJSA-N 1 0 262.313 -0.511 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@](C)(O)C1CC1 ZINC001278072944 828242071 /nfs/dbraw/zinc/24/20/71/828242071.db2.gz 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C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001278106376 828248656 /nfs/dbraw/zinc/24/86/56/828248656.db2.gz XYYCWIXGYHLPTL-STQMWFEESA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cc(Cl)n(C)n1 ZINC001278112679 828248778 /nfs/dbraw/zinc/24/87/78/828248778.db2.gz NRXIRJMZPJWABV-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C1(COCC)CC1 ZINC001278106342 828248978 /nfs/dbraw/zinc/24/89/78/828248978.db2.gz XEWSTXCYKBULHN-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc2nnnn2c1 ZINC001278112139 828249104 /nfs/dbraw/zinc/24/91/04/828249104.db2.gz IBJYGUBLPLSPDV-NSHDSACASA-N 1 0 290.327 -0.619 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn2ccc(C)cc2n1 ZINC001278113328 828249194 /nfs/dbraw/zinc/24/91/94/828249194.db2.gz UVGZEJNFYIOQRA-GFCCVEGCSA-N 1 0 286.335 -0.044 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccnc2n[nH]nc21 ZINC001278113625 828249500 /nfs/dbraw/zinc/24/95/00/828249500.db2.gz YZBFSQQQPUPMJO-QMMMGPOBSA-N 1 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C=CCCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001278138181 828251869 /nfs/dbraw/zinc/25/18/69/828251869.db2.gz KYAJHCAWALKPFX-GHMZBOCLSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001278138206 828251984 /nfs/dbraw/zinc/25/19/84/828251984.db2.gz LAUWOBIESKAEFZ-DGCLKSJQSA-N 1 0 292.383 -0.222 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](CO)[NH2+]CCOC)c1 ZINC001278147943 828252388 /nfs/dbraw/zinc/25/23/88/828252388.db2.gz ORWPVQPEKFQFKU-CYBMUJFWSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nc(C)oc1C ZINC001278171383 828253715 /nfs/dbraw/zinc/25/37/15/828253715.db2.gz GERNWIOYJYIBKE-JTQLQIEISA-N 1 0 251.286 -0.395 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001278165689 828253667 /nfs/dbraw/zinc/25/36/67/828253667.db2.gz YZBZJWUBQNPIDT-OLZOCXBDSA-N 1 0 293.367 -0.913 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1cscn1 ZINC001278165627 828254057 /nfs/dbraw/zinc/25/40/57/828254057.db2.gz XZLDQCUUWKRSNC-JTQLQIEISA-N 1 0 255.343 -0.062 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001278165128 828254134 /nfs/dbraw/zinc/25/41/34/828254134.db2.gz UDVKWPHTUBMLSZ-ZDUSSCGKSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cc1cscn1 ZINC001278165628 828254155 /nfs/dbraw/zinc/25/41/55/828254155.db2.gz XZLDQCUUWKRSNC-SNVBAGLBSA-N 1 0 255.343 -0.062 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)C(C)C ZINC001278165719 828254447 /nfs/dbraw/zinc/25/44/47/828254447.db2.gz ZEHZLPQBXMSBBJ-VXGBXAGGSA-N 1 0 283.372 -0.905 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C(C)C ZINC001278165717 828254628 /nfs/dbraw/zinc/25/46/28/828254628.db2.gz ZEHZLPQBXMSBBJ-NWDGAFQWSA-N 1 0 283.372 -0.905 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCCOC1 ZINC001278178858 828255464 /nfs/dbraw/zinc/25/54/64/828255464.db2.gz LMVZHNKBTFPEOT-HIFRSBDPSA-N 1 0 298.383 -0.480 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(OC)n1 ZINC001278179020 828255918 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C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001278187007 828256939 /nfs/dbraw/zinc/25/69/39/828256939.db2.gz MBPVTPFJMYGEDN-UONOGXRCSA-N 1 0 287.363 -0.114 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ncc2n1CCCC2 ZINC001278201425 828257796 /nfs/dbraw/zinc/25/77/96/828257796.db2.gz GFTYWDFDDYOFFD-LLVKDONJSA-N 1 0 276.340 -0.467 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001278201547 828258133 /nfs/dbraw/zinc/25/81/33/828258133.db2.gz HBFAFIJFXPWASX-GXTWGEPZSA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cn1ccccc1=O ZINC001278194536 828258296 /nfs/dbraw/zinc/25/82/96/828258296.db2.gz IWVZDQJCXDCJKH-LBPRGKRZSA-N 1 0 279.340 -0.509 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCc1cnn(C)c1 ZINC001278201838 828258398 /nfs/dbraw/zinc/25/83/98/828258398.db2.gz KGXAFOKYSJKWRF-ZDUSSCGKSA-N 1 0 278.356 -0.557 20 30 CBEDRO CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001278214729 828258975 /nfs/dbraw/zinc/25/89/75/828258975.db2.gz 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C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1CCC1 ZINC001278719131 828277058 /nfs/dbraw/zinc/27/70/58/828277058.db2.gz FKJWMLNCDXGZPO-DGCLKSJQSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C=C(C)C ZINC001278721182 828277197 /nfs/dbraw/zinc/27/71/97/828277197.db2.gz MLZJVGVBHNIDLE-GFCCVEGCSA-N 1 0 281.356 -0.889 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001278729874 828277364 /nfs/dbraw/zinc/27/73/64/828277364.db2.gz AQROJFTYSCRGFA-LLVKDONJSA-N 1 0 250.302 -0.545 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C=C(C)C ZINC001278721184 828277520 /nfs/dbraw/zinc/27/75/20/828277520.db2.gz MLZJVGVBHNIDLE-LBPRGKRZSA-N 1 0 281.356 -0.889 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001278731939 828278385 /nfs/dbraw/zinc/27/83/85/828278385.db2.gz NJSRTHJVYWQAFE-LLVKDONJSA-N 1 0 267.333 -0.737 20 30 CBEDRO CC[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001278732595 828278752 /nfs/dbraw/zinc/27/87/52/828278752.db2.gz 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30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(F)CCOCC1 ZINC001128977114 884668139 /nfs/dbraw/zinc/66/81/39/884668139.db2.gz CRFMMGCHSJARSL-UHFFFAOYSA-N 1 0 287.335 -0.487 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128720594 884669077 /nfs/dbraw/zinc/66/90/77/884669077.db2.gz PNOXFUVCTWCHQN-JTQLQIEISA-N 1 0 267.329 -0.194 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414676 884676381 /nfs/dbraw/zinc/67/63/81/884676381.db2.gz IACLCUGPQDRONR-UHFFFAOYSA-N 1 0 280.332 -0.951 20 30 CBEDRO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152413965 884676727 /nfs/dbraw/zinc/67/67/27/884676727.db2.gz SQJCVEYADIGTNL-IJLUTSLNSA-N 1 0 271.361 -0.020 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176336090 884702585 /nfs/dbraw/zinc/70/25/85/884702585.db2.gz JRRLXHATEAFPIM-UHFFFAOYSA-N 1 0 283.781 -0.616 20 30 CBEDRO CC#CC(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001179748658 884707260 /nfs/dbraw/zinc/70/72/60/884707260.db2.gz YYQIGIBPBFAESU-UHFFFAOYSA-N 1 0 288.351 -0.033 20 30 CBEDRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001182051257 884712425 /nfs/dbraw/zinc/71/24/25/884712425.db2.gz OZRZTIBJKOADFE-LLVKDONJSA-N 1 0 289.339 -0.221 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001187319778 884717694 /nfs/dbraw/zinc/71/76/94/884717694.db2.gz DGARYIPWCXDPCY-YNEHKIRRSA-N 1 0 295.383 -0.014 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](COC)OC)CCCO1 ZINC001201366672 884743846 /nfs/dbraw/zinc/74/38/46/884743846.db2.gz OWUUMIPSFJUPOB-KGLIPLIRSA-N 1 0 298.383 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCCO1 ZINC001201359565 884745658 /nfs/dbraw/zinc/74/56/58/884745658.db2.gz NXNMLEKBGHCLKJ-DOMZBBRYSA-N 1 0 293.367 -0.505 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@H](NC(=O)CNC(=O)OC)C12CCC2 ZINC001202544308 884747527 /nfs/dbraw/zinc/74/75/27/884747527.db2.gz YGCZTCPDJBVEAA-MNOVXSKESA-N 1 0 279.340 -0.007 20 30 CBEDRO C=CCC[C@@H](O)C[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001252617934 884802379 /nfs/dbraw/zinc/80/23/79/884802379.db2.gz AIZYEHCCJXKPNR-GFCCVEGCSA-N 1 0 276.402 -0.367 20 30 CBEDRO CC#CC[NH2+][C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001210584160 884764215 /nfs/dbraw/zinc/76/42/15/884764215.db2.gz DVXNZCVVLXNKKD-NSHDSACASA-N 1 0 261.329 -0.049 20 30 CBEDRO CC#CC[NH2+][C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211008043 884767289 /nfs/dbraw/zinc/76/72/89/884767289.db2.gz IKQIUYQQTBQMOT-NSHDSACASA-N 1 0 266.345 -0.351 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001211125674 884768936 /nfs/dbraw/zinc/76/89/36/884768936.db2.gz INSHYYCFSGYPAW-LLVKDONJSA-N 1 0 287.385 -0.861 20 30 CBEDRO CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001211112885 884769053 /nfs/dbraw/zinc/76/90/53/884769053.db2.gz NDOZDXGAKKTSQB-NWDGAFQWSA-N 1 0 299.396 -0.718 20 30 CBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cn(C)nn2)C1 ZINC001211492598 884774303 /nfs/dbraw/zinc/77/43/03/884774303.db2.gz GAKXAWICFWZVMG-DGCLKSJQSA-N 1 0 275.356 -0.183 20 30 CBEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)nn1 ZINC001215833259 884781225 /nfs/dbraw/zinc/78/12/25/884781225.db2.gz ZNKIZRJYJZWQEM-VXGBXAGGSA-N 1 0 293.371 -0.103 20 30 CBEDRO C=CCC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001252623151 884801604 /nfs/dbraw/zinc/80/16/04/884801604.db2.gz FRHJUVVWAIXGKY-LLVKDONJSA-N 1 0 262.375 -0.061 20 30 CBEDRO C=CCCC(=O)N(CCO)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001325991119 884866257 /nfs/dbraw/zinc/86/62/57/884866257.db2.gz YDMPVJBXKFCQGD-GFCCVEGCSA-N 1 0 283.372 -0.406 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)Cc1ccoc1 ZINC001326009149 884870182 /nfs/dbraw/zinc/87/01/82/884870182.db2.gz MEBMRGRZXAVWPK-UHFFFAOYSA-N 1 0 250.298 -0.134 20 30 CBEDRO CO[C@H](C)C[NH2+]CCN(CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001326009101 884870524 /nfs/dbraw/zinc/87/05/24/884870524.db2.gz KNZJYMBMVXGYTD-LLVKDONJSA-N 1 0 294.355 -0.055 20 30 CBEDRO COCC[NH2+]CCN(CCO)C(=O)c1c[nH]c(C#N)c1 ZINC001326009768 884870794 /nfs/dbraw/zinc/87/07/94/884870794.db2.gz QPMGMPRYKXRJIG-UHFFFAOYSA-N 1 0 280.328 -0.443 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cn(C2CCC2)nn1 ZINC001326024830 884875468 /nfs/dbraw/zinc/87/54/68/884875468.db2.gz YHPOEIZCGNAASJ-UHFFFAOYSA-N 1 0 291.355 -0.340 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001326033213 884879487 /nfs/dbraw/zinc/87/94/87/884879487.db2.gz KPKBPFOMBCDMNT-CYBMUJFWSA-N 1 0 295.383 -0.664 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)C[C@@H]1CCN(C)C1=O ZINC001326041922 884882411 /nfs/dbraw/zinc/88/24/11/884882411.db2.gz ODNDATDXQNPQAM-ZDUSSCGKSA-N 1 0 295.383 -0.711 20 30 CBEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001326035106 884880678 /nfs/dbraw/zinc/88/06/78/884880678.db2.gz FGWWTIPBNFCKTP-ZDUSSCGKSA-N 1 0 284.335 -0.106 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CO[C@@H](C)C1 ZINC001326044717 884882910 /nfs/dbraw/zinc/88/29/10/884882910.db2.gz HEOIOACUHHQIET-NWDGAFQWSA-N 1 0 254.330 -0.545 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001326041954 884883960 /nfs/dbraw/zinc/88/39/60/884883960.db2.gz OUWGMDAXYNYWJR-CHWSQXEVSA-N 1 0 290.367 -0.053 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)c1ccc2nnnn2c1 ZINC001326064763 884893496 /nfs/dbraw/zinc/89/34/96/884893496.db2.gz YPQOWRAISOZUGF-UHFFFAOYSA-N 1 0 290.327 -0.666 20 30 CBEDRO C#Cc1ccc(C(=O)N(CCO)CC[NH2+]CCO)cc1 ZINC001326069658 884896942 /nfs/dbraw/zinc/89/69/42/884896942.db2.gz FMJBMYQFQBVELK-UHFFFAOYSA-N 1 0 276.336 -0.316 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1c(C)cnn1C ZINC001326073394 884897239 /nfs/dbraw/zinc/89/72/39/884897239.db2.gz LDDNZUVMJNAPKJ-UHFFFAOYSA-N 1 0 278.356 -0.224 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)n1C ZINC001326070181 884897276 /nfs/dbraw/zinc/89/72/76/884897276.db2.gz NQNQIKQJBUVBJG-UHFFFAOYSA-N 1 0 280.328 -0.827 20 30 CBEDRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNCC#N ZINC001326096542 884902818 /nfs/dbraw/zinc/90/28/18/884902818.db2.gz UMZFFLDRIDUQKZ-VXGBXAGGSA-N 1 0 291.355 -0.542 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001326091921 884903123 /nfs/dbraw/zinc/90/31/23/884903123.db2.gz ROQRLZPJSVAAMU-OLZOCXBDSA-N 1 0 295.383 -0.678 20 30 CBEDRO COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC12CC2 ZINC001326096559 884908437 /nfs/dbraw/zinc/90/84/37/884908437.db2.gz UUZDSICTCMSYMR-CYBMUJFWSA-N 1 0 280.368 -0.153 20 30 CBEDRO CC[C@@H](O)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001326156258 884923538 /nfs/dbraw/zinc/92/35/38/884923538.db2.gz NHBCNRUFTJFCNS-NPAAXYOMSA-N 1 0 253.302 -0.127 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC001326178976 884934846 /nfs/dbraw/zinc/93/48/46/884934846.db2.gz FRQWMXZIWZHNSF-ZDUSSCGKSA-N 1 0 282.319 -0.291 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001326208233 884947836 /nfs/dbraw/zinc/94/78/36/884947836.db2.gz VDYOWNFNLTXIIP-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO CC(C)([NH3+])CC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001326324739 884987820 /nfs/dbraw/zinc/98/78/20/884987820.db2.gz BQXSCAXFQKBMIC-VAWYXSNFSA-N 1 0 280.328 -0.244 20 30 CBEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001326328445 884990364 /nfs/dbraw/zinc/99/03/64/884990364.db2.gz BUYVVKXHOHSGAR-NWDGAFQWSA-N 1 0 295.299 -0.497 20 30 CBEDRO CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)S(C)(=O)=O ZINC001326339081 884992709 /nfs/dbraw/zinc/99/27/09/884992709.db2.gz JLIIFJLNKXEWTI-JGVFFNPUSA-N 1 0 259.331 -0.963 20 30 CBEDRO C=CCn1cc(CNC(=O)C[C@@H](C[NH3+])OC)nn1 ZINC001326346443 884996434 /nfs/dbraw/zinc/99/64/34/884996434.db2.gz GLJGHIJFRXRHQE-JTQLQIEISA-N 1 0 253.306 -0.556 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCCc2nc(N)n[nH]2)CC1 ZINC001326395973 885016469 /nfs/dbraw/zinc/01/64/69/885016469.db2.gz BLGMGEBYBZAVCD-UHFFFAOYSA-N 1 0 276.344 -0.609 20 30 CBEDRO C#C[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326431057 885026289 /nfs/dbraw/zinc/02/62/89/885026289.db2.gz RETBNUUBFXGKQD-JTQLQIEISA-N 1 0 277.328 -0.479 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001326457943 885033748 /nfs/dbraw/zinc/03/37/48/885033748.db2.gz PRNGDVLIQLXAEU-ZDUSSCGKSA-N 1 0 293.367 -0.647 20 30 CBEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC001326547707 885060766 /nfs/dbraw/zinc/06/07/66/885060766.db2.gz QLICTASMMHCJNH-QWRGUYRKSA-N 1 0 295.387 -0.667 20 30 CBEDRO C=C[C@@H](COC)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001326739283 885124099 /nfs/dbraw/zinc/12/40/99/885124099.db2.gz KTURLCRDIQDAPE-LBPRGKRZSA-N 1 0 298.387 -0.397 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001326805288 885156051 /nfs/dbraw/zinc/15/60/51/885156051.db2.gz YXQHANAPIPQPOG-WCQYABFASA-N 1 0 293.367 -0.649 20 30 CBEDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001326844124 885170754 /nfs/dbraw/zinc/17/07/54/885170754.db2.gz FGAGGLPZPGITRQ-VIFPVBQESA-N 1 0 272.308 -0.136 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc(C)cn2)CCO1 ZINC001326947518 885199016 /nfs/dbraw/zinc/19/90/16/885199016.db2.gz BJFAEUJJZDRROZ-ZDUSSCGKSA-N 1 0 276.340 -0.358 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)OCC)CCO1 ZINC001326947419 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C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001330544732 886476080 /nfs/dbraw/zinc/47/60/80/886476080.db2.gz VCNFFYNNSWLGQO-NSHDSACASA-N 1 0 288.351 -0.059 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC001330543413 886476081 /nfs/dbraw/zinc/47/60/81/886476081.db2.gz HRIZRODFCIKQFI-MNOVXSKESA-N 1 0 269.345 -0.486 20 30 CBEDRO CC(C)(F)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001330556823 886478690 /nfs/dbraw/zinc/47/86/90/886478690.db2.gz LGQCUDMDODMPLX-MGCOHNPYSA-N 1 0 284.335 -0.141 20 30 CBEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCO1 ZINC001330577200 886484036 /nfs/dbraw/zinc/48/40/36/886484036.db2.gz MUFQTZASTZTSSZ-WOPDTQHZSA-N 1 0 292.339 -0.910 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001330578784 886485983 /nfs/dbraw/zinc/48/59/83/886485983.db2.gz SOXGKSNGRUKQFW-VXGBXAGGSA-N 1 0 263.341 -0.179 20 30 CBEDRO C=CCOCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001330578641 886487856 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CC#CCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001330845319 886590979 /nfs/dbraw/zinc/59/09/79/886590979.db2.gz LRHLPXDGBMPJFB-NSHDSACASA-N 1 0 251.330 -0.192 20 30 CBEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001330850991 886594697 /nfs/dbraw/zinc/59/46/97/886594697.db2.gz KUPVPMADGPJEGP-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001330849312 886595892 /nfs/dbraw/zinc/59/58/92/886595892.db2.gz DGVQWYPQOLYREY-CYBMUJFWSA-N 1 0 294.399 -0.732 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC001330861178 886602028 /nfs/dbraw/zinc/60/20/28/886602028.db2.gz UDVQUIBILNAICP-HBNTYKKESA-N 1 0 267.329 -0.863 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001330870100 886608377 /nfs/dbraw/zinc/60/83/77/886608377.db2.gz KASYVVYJESCMNU-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CC[N@@H+](C)C1CCN(C(=O)C(=O)NCC(F)F)CC1 ZINC001331031162 886650042 /nfs/dbraw/zinc/65/00/42/886650042.db2.gz 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ZINC001331198107 886724131 /nfs/dbraw/zinc/72/41/31/886724131.db2.gz UJEFQCPOOGQQEW-HAQNSBGRSA-N 1 0 278.356 -0.008 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCN(C)C1=O ZINC001331237119 886745221 /nfs/dbraw/zinc/74/52/21/886745221.db2.gz MRJHSYPIPNDJSX-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001331267752 886758366 /nfs/dbraw/zinc/75/83/66/886758366.db2.gz IEWMNJOOFMIXMJ-GXSJLCMTSA-N 1 0 266.345 -0.281 20 30 CBEDRO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001331291565 886768649 /nfs/dbraw/zinc/76/86/49/886768649.db2.gz XVCCCUAWOFNTJC-WDEREUQCSA-N 1 0 294.355 -0.403 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cncn1 ZINC001331355416 886779239 /nfs/dbraw/zinc/77/92/39/886779239.db2.gz QIDUCNPHDBDTDV-GFCCVEGCSA-N 1 0 261.329 -0.262 20 30 CBEDRO Cc1cc(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)no1 ZINC001331377275 886786810 /nfs/dbraw/zinc/78/68/10/886786810.db2.gz PTUGTBZIFGGAEH-VIFPVBQESA-N 1 0 293.327 -0.327 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)OCC ZINC001331392613 886789275 /nfs/dbraw/zinc/78/92/75/886789275.db2.gz MNMFVHXWSKDCHW-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO CCNC(=O)CC(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001331425933 886803046 /nfs/dbraw/zinc/80/30/46/886803046.db2.gz DZEJBGWLPYBRIR-GFCCVEGCSA-N 1 0 283.372 -0.401 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCNC1=O ZINC001331449723 886809288 /nfs/dbraw/zinc/80/92/88/886809288.db2.gz NICHIHAGZVBJFH-MRVPVSSYSA-N 1 0 260.725 -0.402 20 30 CBEDRO CCn1nncc1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001331440929 886809335 /nfs/dbraw/zinc/80/93/35/886809335.db2.gz JXRNIOCJGSFQSV-LBPRGKRZSA-N 1 0 293.371 -0.002 20 30 CBEDRO CCn1nncc1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001331440928 886810624 /nfs/dbraw/zinc/81/06/24/886810624.db2.gz JXRNIOCJGSFQSV-GFCCVEGCSA-N 1 0 293.371 -0.002 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CCCO ZINC001331441255 886811130 /nfs/dbraw/zinc/81/11/30/886811130.db2.gz 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CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001331644562 886878891 /nfs/dbraw/zinc/87/88/91/886878891.db2.gz ONKGVWDVUHZLDP-QWRGUYRKSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC001331652100 886883718 /nfs/dbraw/zinc/88/37/18/886883718.db2.gz YZTKKSLPGACUIO-QWRGUYRKSA-N 1 0 274.386 -0.263 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ncoc1C ZINC001331685007 886903843 /nfs/dbraw/zinc/90/38/43/886903843.db2.gz QXNLLBBJEZPIHI-LLVKDONJSA-N 1 0 281.312 -0.687 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001331698195 886916786 /nfs/dbraw/zinc/91/67/86/886916786.db2.gz VGBHOMKJLOCDFY-ZJUUUORDSA-N 1 0 256.302 -0.808 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccoc1 ZINC001331707679 886925618 /nfs/dbraw/zinc/92/56/18/886925618.db2.gz OBGHPZRJXBJDOL-CYBMUJFWSA-N 1 0 280.324 -0.461 20 30 CBEDRO CC(C)OCC[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001331711678 886927631 /nfs/dbraw/zinc/92/76/31/886927631.db2.gz JILYZBHQJSRXHI-CYBMUJFWSA-N 1 0 268.357 -0.109 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001331711127 886927753 /nfs/dbraw/zinc/92/77/53/886927753.db2.gz FNHRGGVHZBXWFY-NSHDSACASA-N 1 0 293.371 -0.201 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001331713111 886929790 /nfs/dbraw/zinc/92/97/90/886929790.db2.gz WGXCXMCUWWJJFJ-RYUDHWBXSA-N 1 0 290.367 -0.080 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001331730877 886943363 /nfs/dbraw/zinc/94/33/63/886943363.db2.gz IKMMXEYWGXLSQJ-GASCZTMLSA-N 1 0 295.383 -0.237 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1ccnc2n[nH]nc21 ZINC001331740640 886949546 /nfs/dbraw/zinc/94/95/46/886949546.db2.gz RDYUSXBHASHILK-VIFPVBQESA-N 1 0 290.327 -0.391 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(CN(C)C)on1 ZINC001331739339 886949883 /nfs/dbraw/zinc/94/98/83/886949883.db2.gz IOFGZPKMWFZFJI-LLVKDONJSA-N 1 0 294.355 -0.560 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cncn1C ZINC001331739635 886950650 /nfs/dbraw/zinc/95/06/50/886950650.db2.gz KRUCJTLYYCRCRL-SNVBAGLBSA-N 1 0 252.318 -0.324 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(OC)ccn1 ZINC001331755579 886958351 /nfs/dbraw/zinc/95/83/51/886958351.db2.gz DPDQGFLCQBMCIU-NSHDSACASA-N 1 0 277.324 -0.206 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cncc(CC)c1 ZINC001331756471 886959738 /nfs/dbraw/zinc/95/97/38/886959738.db2.gz GZCWUYAHBHQJIO-ZDUSSCGKSA-N 1 0 261.325 -0.043 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(=C)C ZINC001331759853 886961364 /nfs/dbraw/zinc/96/13/64/886961364.db2.gz WIKYHGBKXKVOLT-LBPRGKRZSA-N 1 0 295.383 -0.595 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(OCC)no1 ZINC001331759358 886962433 /nfs/dbraw/zinc/96/24/33/886962433.db2.gz PRUCULPGZKKTEW-SNVBAGLBSA-N 1 0 281.312 -0.223 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC001331761709 886964133 /nfs/dbraw/zinc/96/41/33/886964133.db2.gz HCGZRQXYLRGLNZ-NWDGAFQWSA-N 1 0 253.346 -0.303 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001331770044 886966720 /nfs/dbraw/zinc/96/67/20/886966720.db2.gz FSEARVPQNWCXJC-RISCZKNCSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001331775914 886976067 /nfs/dbraw/zinc/97/60/67/886976067.db2.gz VVWXIZPDXTUPID-LLVKDONJSA-N 1 0 251.286 -0.693 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(Cl)[nH]1 ZINC001331788075 886980748 /nfs/dbraw/zinc/98/07/48/886980748.db2.gz PCLYUYYVYCNOQY-MRVPVSSYSA-N 1 0 255.705 -0.018 20 30 CBEDRO N#C[C@@]1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CCCOC1 ZINC001331788215 886982341 /nfs/dbraw/zinc/98/23/41/886982341.db2.gz UDSSXNPTIGAUCY-YPMHNXCESA-N 1 0 267.329 -0.510 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001331788781 886982694 /nfs/dbraw/zinc/98/26/94/886982694.db2.gz ABVCQTXJGQHOJA-AXFHLTTASA-N 1 0 260.309 -0.386 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001331788443 886983140 /nfs/dbraw/zinc/98/31/40/886983140.db2.gz VVFQULQEMPTBHM-VXGBXAGGSA-N 1 0 295.383 -0.312 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001331789121 886983224 /nfs/dbraw/zinc/98/32/24/886983224.db2.gz GOMFBZFBAZYNGX-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(=O)cc1OC ZINC001331790626 886986113 /nfs/dbraw/zinc/98/61/13/886986113.db2.gz QEXIXYFLSPFQPW-VIFPVBQESA-N 1 0 281.312 -0.338 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl)nn1 ZINC001331804317 886988891 /nfs/dbraw/zinc/98/88/91/886988891.db2.gz MDUZKBDBHXBOMU-XOULXFPDSA-N 1 0 299.762 -0.103 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1nnn(C(C)C)c1C ZINC001331803159 886989173 /nfs/dbraw/zinc/98/91/73/886989173.db2.gz BYZFBICUXKDRNN-GFCCVEGCSA-N 1 0 293.371 -0.129 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001331804518 886991772 /nfs/dbraw/zinc/99/17/72/886991772.db2.gz MWGWOYXFNSDCMT-ZDUSSCGKSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001331806200 886991875 /nfs/dbraw/zinc/99/18/75/886991875.db2.gz WMRUWOLTYQDGKT-NWDGAFQWSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH]cnc21 ZINC001331807015 886994104 /nfs/dbraw/zinc/99/41/04/886994104.db2.gz YLKBOMSERPIAFB-SNVBAGLBSA-N 1 0 272.308 -0.124 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCCOC)cn1 ZINC001331822465 886997151 /nfs/dbraw/zinc/99/71/51/886997151.db2.gz AYEKPNNAROCIMX-AWEZNQCLSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001331836203 887006144 /nfs/dbraw/zinc/00/61/44/887006144.db2.gz PYUTYWQOCZCBMM-LLVKDONJSA-N 1 0 289.335 -0.411 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccnc1N(C)C ZINC001331837537 887006807 /nfs/dbraw/zinc/00/68/07/887006807.db2.gz XSPMWMHUPWGBPH-LBPRGKRZSA-N 1 0 290.367 -0.149 20 30 CBEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)nc1 ZINC001331883516 887029440 /nfs/dbraw/zinc/02/94/40/887029440.db2.gz SZWKLUTWFDOKHT-UHFFFAOYSA-N 1 0 273.296 -0.159 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001331956442 887062735 /nfs/dbraw/zinc/06/27/35/887062735.db2.gz DEZIYJKYSZBFCJ-QWRGUYRKSA-N 1 0 267.329 -0.055 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001331969664 887070941 /nfs/dbraw/zinc/07/09/41/887070941.db2.gz CTECGFRYSMVCLA-LLVKDONJSA-N 1 0 272.370 -0.460 20 30 CBEDRO C=CCOCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)C[C@@H]1C ZINC001331971561 887071592 /nfs/dbraw/zinc/07/15/92/887071592.db2.gz PPXFQJRUTDOJGB-QWRGUYRKSA-N 1 0 269.345 -0.486 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001331970231 887071903 /nfs/dbraw/zinc/07/19/03/887071903.db2.gz HWMALULNNAIOFY-LBPRGKRZSA-N 1 0 258.281 -0.179 20 30 CBEDRO C[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 ZINC001331980180 887075337 /nfs/dbraw/zinc/07/53/37/887075337.db2.gz FZXDGVCHCCCBRW-LLVKDONJSA-N 1 0 278.356 -0.041 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC001331982026 887075426 /nfs/dbraw/zinc/07/54/26/887075426.db2.gz VAXOABASYMQUEJ-AVGNSLFASA-N 1 0 290.367 -0.041 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001331992710 887079342 /nfs/dbraw/zinc/07/93/42/887079342.db2.gz BYFLWUJODIYTRW-UWVGGRQHSA-N 1 0 252.318 -0.872 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC001331999937 887082452 /nfs/dbraw/zinc/08/24/52/887082452.db2.gz HHNHRSGSVNQDSK-JOYOIKCWSA-N 1 0 268.292 -0.600 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001332016236 887084958 /nfs/dbraw/zinc/08/49/58/887084958.db2.gz RYCDMAZNMYYHBF-NXEZZACHSA-N 1 0 262.317 -0.574 20 30 CBEDRO C=C(C)C[C@H](NC(=O)COCC[NH3+])C(=O)OCC ZINC001332032697 887088357 /nfs/dbraw/zinc/08/83/57/887088357.db2.gz NQLKOJNITRSVBI-JTQLQIEISA-N 1 0 258.318 -0.024 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046349 887094259 /nfs/dbraw/zinc/09/42/59/887094259.db2.gz GIIPWHVPWJQHIF-NEPJUHHUSA-N 1 0 291.351 -0.262 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001332102430 887110243 /nfs/dbraw/zinc/11/02/43/887110243.db2.gz GEYDSYAKWFLHFU-GFCCVEGCSA-N 1 0 290.385 -0.840 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC001332221209 887159453 /nfs/dbraw/zinc/15/94/53/887159453.db2.gz DUGZPDNYMXUUJT-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001332290539 887185927 /nfs/dbraw/zinc/18/59/27/887185927.db2.gz FBJABLHYDCZUKE-STQMWFEESA-N 1 0 294.399 -0.521 20 30 CBEDRO C[NH+]1CCC(OCC(=O)OCC(=O)NCC#N)CC1 ZINC001332343924 887214363 /nfs/dbraw/zinc/21/43/63/887214363.db2.gz LYHMTRNFRZTKHQ-UHFFFAOYSA-N 1 0 269.301 -0.720 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CNC(C)=O)CC1(C)C ZINC001332344915 887215267 /nfs/dbraw/zinc/21/52/67/887215267.db2.gz LPHAIXBHHDSCTN-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)Cc1cnn(C)c1 ZINC001332357615 887221343 /nfs/dbraw/zinc/22/13/43/887221343.db2.gz BDCGAJSMNQHYQA-LBPRGKRZSA-N 1 0 264.329 -0.947 20 30 CBEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COC1CCOCC1 ZINC001332360083 887224028 /nfs/dbraw/zinc/22/40/28/887224028.db2.gz QYWGGKLHLHPXQY-OLZOCXBDSA-N 1 0 271.357 -0.093 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC001332378143 887241960 /nfs/dbraw/zinc/24/19/60/887241960.db2.gz WQQOALWXLKPJRF-GFCCVEGCSA-N 1 0 295.383 -0.264 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC1(C)C ZINC001332404938 887262480 /nfs/dbraw/zinc/26/24/80/887262480.db2.gz NJWSQHXXUNVHAK-NEPJUHHUSA-N 1 0 292.383 -0.140 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC001332412964 887268843 /nfs/dbraw/zinc/26/88/43/887268843.db2.gz QWFWVIFZEAYHAM-MWLCHTKSSA-N 1 0 264.329 -0.446 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001332426011 887273303 /nfs/dbraw/zinc/27/33/03/887273303.db2.gz AIKNYCCYCXBNSZ-NSHDSACASA-N 1 0 251.330 -0.335 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1[NH3+] ZINC001332434096 887281981 /nfs/dbraw/zinc/28/19/81/887281981.db2.gz RLQCXYBZVAYWKR-LNLATYFQSA-N 1 0 268.292 -0.744 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC001332447211 887284861 /nfs/dbraw/zinc/28/48/61/887284861.db2.gz SIWLWGOBLXTZPK-NWDGAFQWSA-N 1 0 278.356 -0.054 20 30 CBEDRO O=C(NCCNC(=O)[C@H]1CCCC[NH2+]1)C1N=CC=CC1=O ZINC001332450221 887290145 /nfs/dbraw/zinc/29/01/45/887290145.db2.gz CXQQAAGMQXDDHB-NOHQBZTLSA-N 1 0 292.339 -0.229 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CCC ZINC001332472599 887301887 /nfs/dbraw/zinc/30/18/87/887301887.db2.gz UKAARAILKPWMAE-VXGBXAGGSA-N 1 0 283.372 -0.667 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CCC ZINC001332472596 887302306 /nfs/dbraw/zinc/30/23/06/887302306.db2.gz UKAARAILKPWMAE-NEPJUHHUSA-N 1 0 283.372 -0.667 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001332472247 887302452 /nfs/dbraw/zinc/30/24/52/887302452.db2.gz PHAGDPYVHDOKHS-LLVKDONJSA-N 1 0 257.334 -0.893 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CCC ZINC001332472598 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C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001332505020 887327156 /nfs/dbraw/zinc/32/71/56/887327156.db2.gz QGZXZXXXRMJNRN-VXGBXAGGSA-N 1 0 281.360 -0.176 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001332503781 887327707 /nfs/dbraw/zinc/32/77/07/887327707.db2.gz JDVYTMBIHKDBGW-NWDGAFQWSA-N 1 0 254.330 -0.547 20 30 CBEDRO C=C(C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001332517554 887333710 /nfs/dbraw/zinc/33/37/10/887333710.db2.gz LPOUHJZFFPUQKO-MNOVXSKESA-N 1 0 271.361 -0.375 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001332520301 887335295 /nfs/dbraw/zinc/33/52/95/887335295.db2.gz AFXFOAJDJTXIAB-LLVKDONJSA-N 1 0 266.345 -0.063 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccnc2ccnn21 ZINC001332520293 887335736 /nfs/dbraw/zinc/33/57/36/887335736.db2.gz ADJGZPORMSCJBC-LLVKDONJSA-N 1 0 287.323 -0.615 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC=C ZINC001332522654 887336276 /nfs/dbraw/zinc/33/62/76/887336276.db2.gz 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ZINC001333180504 887554951 /nfs/dbraw/zinc/55/49/51/887554951.db2.gz QYPBRVOAPWWEPE-UHFFFAOYSA-N 1 0 293.367 -0.518 20 30 CBEDRO COC(=O)[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333178965 887555971 /nfs/dbraw/zinc/55/59/71/887555971.db2.gz YCNSSULJBBWUEJ-PSHCNPEKSA-N 1 0 265.313 -0.197 20 30 CBEDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cnc(C#N)n1 ZINC001333235787 887567904 /nfs/dbraw/zinc/56/79/04/887567904.db2.gz JOCNDWVALFMRFL-SNVBAGLBSA-N 1 0 262.317 -0.250 20 30 CBEDRO C#CCC[NH+]1CCC(NC(=O)CCNC(=O)CO)CC1 ZINC001333254966 887572652 /nfs/dbraw/zinc/57/26/52/887572652.db2.gz YSNDVYLDAFGIJJ-UHFFFAOYSA-N 1 0 281.356 -0.911 20 30 CBEDRO C#C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C)C1 ZINC001333270890 887578158 /nfs/dbraw/zinc/57/81/58/887578158.db2.gz NNTMHRPQBAZKQX-RYUDHWBXSA-N 1 0 263.341 -0.322 20 30 CBEDRO CC1(C)CNC(=O)[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001333275590 887579118 /nfs/dbraw/zinc/57/91/18/887579118.db2.gz HICRBPKYVRRBJF-GFCCVEGCSA-N 1 0 263.341 -0.370 20 30 CBEDRO 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251.330 -0.322 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001353291537 891394519 /nfs/dbraw/zinc/39/45/19/891394519.db2.gz GWWVGQROZNYPQK-LLVKDONJSA-N 1 0 283.397 -0.191 20 30 CBEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001353299033 891396693 /nfs/dbraw/zinc/39/66/93/891396693.db2.gz BQVFVIRUWZIQOB-UTUOFQBUSA-N 1 0 268.361 -0.693 20 30 CBEDRO C#CC[NH2+]CC(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC001353342983 891407589 /nfs/dbraw/zinc/40/75/89/891407589.db2.gz ZTQFFBMLLCGNME-JTQLQIEISA-N 1 0 260.359 -0.509 20 30 CBEDRO C=C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353350534 891409546 /nfs/dbraw/zinc/40/95/46/891409546.db2.gz UURJGFASEIXIIA-QXEWZRGKSA-N 1 0 258.343 -0.689 20 30 CBEDRO C=C[C@](C)(O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001353948838 891491405 /nfs/dbraw/zinc/49/14/05/891491405.db2.gz MTQDZEJMTCVPNX-LOWVWBTDSA-N 1 0 264.329 -0.390 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC001353943113 891491782 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C[C@@H](C#N)C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001355870246 891712933 /nfs/dbraw/zinc/71/29/33/891712933.db2.gz WQCIKHYOURXBOB-NSHDSACASA-N 1 0 266.345 -0.184 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC[C@@H]1[NH3+] ZINC001356092805 891728054 /nfs/dbraw/zinc/72/80/54/891728054.db2.gz ZEQCHDBJKRSQRG-UHIISALHSA-N 1 0 294.355 -0.677 20 30 CBEDRO CCN(C(=O)C(=O)N1CCO[C@@](C)(C#N)C1)[C@@H]1CC[NH2+]C1 ZINC001356097978 891729077 /nfs/dbraw/zinc/72/90/77/891729077.db2.gz JGYNGLDHWTXOFA-RISCZKNCSA-N 1 0 294.355 -0.662 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001356423096 891756182 /nfs/dbraw/zinc/75/61/82/891756182.db2.gz JXMSGBSSMNDDQL-GHMZBOCLSA-N 1 0 269.345 -0.642 20 30 CBEDRO CNS(=O)(=O)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001356546863 891777700 /nfs/dbraw/zinc/77/77/00/891777700.db2.gz GDHQCTBEAQPBOC-LBPRGKRZSA-N 1 0 299.396 -0.861 20 30 CBEDRO Cc1nncn1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC001356610232 891783871 /nfs/dbraw/zinc/78/38/71/891783871.db2.gz KLBZVQWJWJCPGD-LBPRGKRZSA-N 1 0 266.349 -0.618 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC1CN(C(=O)C[NH+](CC)CC)C1 ZINC001356760990 891800976 /nfs/dbraw/zinc/80/09/76/891800976.db2.gz WOSRYVMBRSUGQU-LBPRGKRZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCCOc1ncccn1 ZINC001357167174 891854636 /nfs/dbraw/zinc/85/46/36/891854636.db2.gz SPANDGLOTLJGPR-UHFFFAOYSA-N 1 0 262.313 -0.025 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC001357366808 891875062 /nfs/dbraw/zinc/87/50/62/891875062.db2.gz JCSGCFYOUSYCMO-ZDUSSCGKSA-N 1 0 265.357 -0.468 20 30 CBEDRO COc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)sn1 ZINC001357446649 891894974 /nfs/dbraw/zinc/89/49/74/891894974.db2.gz TZYLRKYNTIYOIL-BQBZGAKWSA-N 1 0 252.299 -0.007 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](COC)C(N)=O ZINC001358040423 891961532 /nfs/dbraw/zinc/96/15/32/891961532.db2.gz ZUHVIEOGUOLHQD-UWVGGRQHSA-N 1 0 257.334 -0.371 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)CNS(C)(=O)=O ZINC001449790749 913614005 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N#CC1(C[C@@H](O)C[NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001363844009 894054192 /nfs/dbraw/zinc/05/41/92/894054192.db2.gz IFEYXAJCLKYDLK-NEPJUHHUSA-N 1 0 293.367 -0.074 20 30 CBEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001363853557 894062558 /nfs/dbraw/zinc/06/25/58/894062558.db2.gz JOCACDXPRLGOAE-QWHCGFSZSA-N 1 0 283.372 -0.329 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001451429991 913838128 /nfs/dbraw/zinc/83/81/28/913838128.db2.gz XYCNYLSTJGBPAR-GHMZBOCLSA-N 1 0 296.371 -0.776 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)cn1 ZINC001363970499 894121747 /nfs/dbraw/zinc/12/17/47/894121747.db2.gz KDXHJVKDFJJIDG-GFCCVEGCSA-N 1 0 298.368 -0.456 20 30 CBEDRO C=C(CO)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001451454057 913847497 /nfs/dbraw/zinc/84/74/97/913847497.db2.gz DPQQETALLVHBBB-UHFFFAOYSA-N 1 0 297.399 -0.552 20 30 CBEDRO C[NH+](C)C[C@@]1(O)CCN(c2cnc(C#N)c(C#N)n2)C1 ZINC001365233625 894834846 /nfs/dbraw/zinc/83/48/46/894834846.db2.gz GOSBWBVBIHIASB-ZDUSSCGKSA-N 1 0 272.312 -0.277 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC001366520121 895351001 /nfs/dbraw/zinc/35/10/01/895351001.db2.gz OOUKTQYVSPFUEX-RYUDHWBXSA-N 1 0 279.344 -0.548 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCN(C)CC(=O)N1CCO[C@H](C)C1 ZINC001366522451 895351390 /nfs/dbraw/zinc/35/13/90/895351390.db2.gz YBMURTWDWPHHCH-NWDGAFQWSA-N 1 0 296.371 -0.559 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001367236030 895590504 /nfs/dbraw/zinc/59/05/04/895590504.db2.gz FNGCHSHKEZEADB-VIFPVBQESA-N 1 0 277.328 -0.412 20 30 CBEDRO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+][C@@H]1CCNC1=O ZINC001367250174 895596342 /nfs/dbraw/zinc/59/63/42/895596342.db2.gz VGIHIGMOYAEYBC-GXSJLCMTSA-N 1 0 289.339 -0.270 20 30 CBEDRO CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C)C#N ZINC001367421428 895635093 /nfs/dbraw/zinc/63/50/93/895635093.db2.gz YRALSIZLSMAKDA-VHSXEESVSA-N 1 0 297.359 -0.539 20 30 CBEDRO COc1cncc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)n1 ZINC001367577669 895678228 /nfs/dbraw/zinc/67/82/28/895678228.db2.gz IHHJOMUIKMFLGK-KOLCDFICSA-N 1 0 293.327 -0.788 20 30 CBEDRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)ncn1 ZINC001367588514 895687597 /nfs/dbraw/zinc/68/75/97/895687597.db2.gz XQJGGKKSEUXUIJ-SKDRFNHKSA-N 1 0 277.328 -0.489 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001367619132 895708236 /nfs/dbraw/zinc/70/82/36/895708236.db2.gz YRXWTRFXEROZOF-SNVBAGLBSA-N 1 0 272.736 -0.229 20 30 CBEDRO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001368329303 895983036 /nfs/dbraw/zinc/98/30/36/895983036.db2.gz FFDATDBMJZXRRN-ZJUUUORDSA-N 1 0 289.339 -0.188 20 30 CBEDRO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001368507844 896021993 /nfs/dbraw/zinc/02/19/93/896021993.db2.gz BDUBUAWWGPGWER-ZYHUDNBSSA-N 1 0 292.339 -0.302 20 30 CBEDRO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)[NH2+][C@H]1CCNC1=O ZINC001368716542 896065031 /nfs/dbraw/zinc/06/50/31/896065031.db2.gz JDWSPMICJUDJCJ-CABZTGNLSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@H](CN(C)C(=O)[C@@H](C)C#N)[NH2+]CCN1CCNC1=O ZINC001369231298 896174893 /nfs/dbraw/zinc/17/48/93/896174893.db2.gz DUSWPEMYIJWPEY-WDEREUQCSA-N 1 0 281.360 -0.392 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCc1ccns1 ZINC001369318489 896212809 /nfs/dbraw/zinc/21/28/09/896212809.db2.gz GOSVGQDKMSEVOQ-ZJUUUORDSA-N 1 0 282.369 -0.088 20 30 CBEDRO CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001369328491 896217027 /nfs/dbraw/zinc/21/70/27/896217027.db2.gz ZFZMWKUCSZPONU-MWLCHTKSSA-N 1 0 280.328 -0.398 20 30 CBEDRO CCn1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001369454668 896278892 /nfs/dbraw/zinc/27/88/92/896278892.db2.gz XFTGYXJOFAWHGQ-WCQYABFASA-N 1 0 293.371 -0.028 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001369455778 896279895 /nfs/dbraw/zinc/27/98/95/896279895.db2.gz QQIYXSPFGWDNJD-KOLCDFICSA-N 1 0 291.779 -0.328 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC001370626748 896449535 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C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001372593653 896818667 /nfs/dbraw/zinc/81/86/67/896818667.db2.gz JQYMYNYQWFCGFO-NEPJUHHUSA-N 1 0 293.371 -0.391 20 30 CBEDRO CC[C@@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)OC ZINC001374591979 897290280 /nfs/dbraw/zinc/29/02/80/897290280.db2.gz DFETVCJDSWTGTP-RYUDHWBXSA-N 1 0 294.355 -0.008 20 30 CBEDRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N)nn1C ZINC001374591396 897291071 /nfs/dbraw/zinc/29/10/71/897291071.db2.gz QRAFFQPZQYFHSS-BXKDBHETSA-N 1 0 279.344 -0.545 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001374598126 897295941 /nfs/dbraw/zinc/29/59/41/897295941.db2.gz IGDVPAZOMJCXIL-SNVBAGLBSA-N 1 0 292.763 -0.041 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001374631703 897318834 /nfs/dbraw/zinc/31/88/34/897318834.db2.gz FOCGUUWPYMROLQ-UWVGGRQHSA-N 1 0 289.763 -0.574 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001374736363 897361918 /nfs/dbraw/zinc/36/19/18/897361918.db2.gz 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C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+][C@@H]1CCNC1=O ZINC001376706666 897815276 /nfs/dbraw/zinc/81/52/76/897815276.db2.gz BTUVJKCMYGVJNF-GZMMTYOYSA-N 1 0 275.312 -0.517 20 30 CBEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CC(=O)N1CCC1 ZINC001376710416 897818744 /nfs/dbraw/zinc/81/87/44/897818744.db2.gz JALJXBSLIJBGES-SNVBAGLBSA-N 1 0 289.339 -0.173 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001378681318 898389410 /nfs/dbraw/zinc/38/94/10/898389410.db2.gz CEHYCXHDPWCEMB-FIQHERPVSA-N 1 0 278.356 -0.472 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001378828351 898419294 /nfs/dbraw/zinc/41/92/94/898419294.db2.gz JFPUMDHHCWZKRX-GMTAPVOTSA-N 1 0 276.344 -0.041 20 30 CBEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001379164318 898482703 /nfs/dbraw/zinc/48/27/03/898482703.db2.gz GLRQKEHHDODFRP-KOLCDFICSA-N 1 0 289.339 -0.140 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001379355617 898573867 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C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001380912274 898969500 /nfs/dbraw/zinc/96/95/00/898969500.db2.gz NFDDJCOGEGRVHX-SNVBAGLBSA-N 1 0 299.762 -0.083 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001380904861 898969789 /nfs/dbraw/zinc/96/97/89/898969789.db2.gz PAUQDZCQZGROAT-WDEREUQCSA-N 1 0 282.344 -0.901 20 30 CBEDRO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001381044259 898989115 /nfs/dbraw/zinc/98/91/15/898989115.db2.gz JSUIOMYZWMPVGW-FZMZJTMJSA-N 1 0 296.371 -0.775 20 30 CBEDRO CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)C#N)C1 ZINC001381044262 898990099 /nfs/dbraw/zinc/99/00/99/898990099.db2.gz JSUIOMYZWMPVGW-RISCZKNCSA-N 1 0 296.371 -0.775 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001381383023 899041417 /nfs/dbraw/zinc/04/14/17/899041417.db2.gz RHMKGMYMLQSVAR-IUCAKERBSA-N 1 0 272.740 -0.092 20 30 CBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)CCN1CCNC1=O ZINC001381508300 899063593 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C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cncn1C ZINC001382386219 899271386 /nfs/dbraw/zinc/27/13/86/899271386.db2.gz IQSVKLGYSMJUAR-ZYHUDNBSSA-N 1 0 279.344 -0.511 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)CCC[NH+](C)C ZINC001382588824 899334849 /nfs/dbraw/zinc/33/48/49/899334849.db2.gz IQIYYLOTRYOJKQ-WDEREUQCSA-N 1 0 284.360 -0.919 20 30 CBEDRO CC[NH+](CC)CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001382995182 899376606 /nfs/dbraw/zinc/37/66/06/899376606.db2.gz FEMNCTSEQRMWMK-NWDGAFQWSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[N@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001384258661 899503132 /nfs/dbraw/zinc/50/31/32/899503132.db2.gz ZGHUDCFMPBQBCV-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001385612001 899583819 /nfs/dbraw/zinc/58/38/19/899583819.db2.gz KRBSTHASRALRDE-RYUDHWBXSA-N 1 0 290.367 -0.041 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001455492101 914369637 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COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001392059556 900501498 /nfs/dbraw/zinc/50/14/98/900501498.db2.gz LFRCWRATJCMFOJ-ZYHUDNBSSA-N 1 0 294.355 -0.056 20 30 CBEDRO C[NH+](C)CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001456248445 914450692 /nfs/dbraw/zinc/45/06/92/914450692.db2.gz DZMUNJYFAGIQTN-UHFFFAOYSA-N 1 0 289.339 -0.221 20 30 CBEDRO CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001392104198 900512626 /nfs/dbraw/zinc/51/26/26/900512626.db2.gz HWKNFUXXZUILRT-WDEREUQCSA-N 1 0 284.360 -0.919 20 30 CBEDRO CC[NH+](CC)CC(=O)NC[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001392104189 900513782 /nfs/dbraw/zinc/51/37/82/900513782.db2.gz HWKNFUXXZUILRT-GHMZBOCLSA-N 1 0 284.360 -0.919 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC1CCC1 ZINC001392364731 900588529 /nfs/dbraw/zinc/58/85/29/900588529.db2.gz MTNKSSSRJYBFGN-PWSUYJOCSA-N 1 0 296.371 -0.871 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)NC(N)=O ZINC001392377020 900594809 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CNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)C#N)CC1 ZINC001398351511 901527817 /nfs/dbraw/zinc/52/78/17/901527817.db2.gz KRHTZZKSAMURQF-WDEREUQCSA-N 1 0 278.356 -0.137 20 30 CBEDRO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001398896538 901625014 /nfs/dbraw/zinc/62/50/14/901625014.db2.gz VOAZOKKBBQESLD-GXSJLCMTSA-N 1 0 289.339 -0.175 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(C)C[C@H](C)CS(C)(=O)=O ZINC001399437669 901720103 /nfs/dbraw/zinc/72/01/03/901720103.db2.gz MVGPFBBMUKKBPR-WDEREUQCSA-N 1 0 289.401 -0.125 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001400481434 901948947 /nfs/dbraw/zinc/94/89/47/901948947.db2.gz YCOVDBXKWVZPME-ZYHUDNBSSA-N 1 0 288.355 -0.027 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001401004825 902041148 /nfs/dbraw/zinc/04/11/48/902041148.db2.gz SFAWRHZNXSQEJV-AMIZOPFISA-N 1 0 295.343 -0.785 20 30 CBEDRO COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001401496524 902141393 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N#Cc1cc(C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)c[nH]1 ZINC001402583353 902484727 /nfs/dbraw/zinc/48/47/27/902484727.db2.gz ZLLDAWJZSKJJIK-AWEZNQCLSA-N 1 0 292.339 -0.565 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001402801065 902521762 /nfs/dbraw/zinc/52/17/62/902521762.db2.gz HKKYYKHTFLQPFK-WDEREUQCSA-N 1 0 296.371 -0.776 20 30 CBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@H]1CCNC1=O ZINC001402859503 902542236 /nfs/dbraw/zinc/54/22/36/902542236.db2.gz CYTGYIHDNBFICZ-KWQFWETISA-N 1 0 275.312 -0.517 20 30 CBEDRO N#Cc1cc(C(=O)NC2(CO)CC[NH+](CCO)CC2)c[nH]1 ZINC001402866999 902544792 /nfs/dbraw/zinc/54/47/92/902544792.db2.gz WXPCEECXZYMLAU-UHFFFAOYSA-N 1 0 292.339 -0.565 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001402870489 902547274 /nfs/dbraw/zinc/54/72/74/902547274.db2.gz PJZRNBMPVICUCS-ONGXEEELSA-N 1 0 280.328 -0.398 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001403743246 902831486 /nfs/dbraw/zinc/83/14/86/902831486.db2.gz KMXQUPOYMXYIRW-GXSJLCMTSA-N 1 0 289.339 -0.175 20 30 CBEDRO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001403824203 902862136 /nfs/dbraw/zinc/86/21/36/902862136.db2.gz KHLICDTUKUNHMW-CMPLNLGQSA-N 1 0 294.355 -0.056 20 30 CBEDRO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001405830186 903232954 /nfs/dbraw/zinc/23/29/54/903232954.db2.gz XVSLTADWJCNLHX-MWLCHTKSSA-N 1 0 289.339 -0.175 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001406206008 903300646 /nfs/dbraw/zinc/30/06/46/903300646.db2.gz GACWLKVCBSLXAR-NXEZZACHSA-N 1 0 290.747 -0.241 20 30 CBEDRO COc1cccc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N)n1 ZINC001406221097 903309542 /nfs/dbraw/zinc/30/95/42/903309542.db2.gz PBLGVYOYHMZQSD-PWSUYJOCSA-N 1 0 292.339 -0.183 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CNC(=O)CC ZINC001406221075 903311559 /nfs/dbraw/zinc/31/15/59/903311559.db2.gz OYXIYCUNBIYNDE-VIFPVBQESA-N 1 0 277.752 -0.668 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001406459912 903405972 /nfs/dbraw/zinc/40/59/72/903405972.db2.gz IBPPSZILUUMMAQ-ONGXEEELSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001406459019 903408409 /nfs/dbraw/zinc/40/84/09/903408409.db2.gz FGYKSMFFJQPOTM-JOYOIKCWSA-N 1 0 289.339 -0.175 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001460107119 914760525 /nfs/dbraw/zinc/76/05/25/914760525.db2.gz AQNQDPBXVZHORD-ZJUUUORDSA-N 1 0 253.302 -0.139 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncnn2C)C1 ZINC001410191011 904038382 /nfs/dbraw/zinc/03/83/82/904038382.db2.gz UHCOMMNVYSMJSW-GMTAPVOTSA-N 1 0 276.344 -0.041 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)C2)c1 ZINC001410942204 904209846 /nfs/dbraw/zinc/20/98/46/904209846.db2.gz NHJDKXPBZJNLFG-ONGXEEELSA-N 1 0 289.339 -0.140 20 30 CBEDRO CC(C)CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001410999416 904221543 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COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](O)CC#N)C2)nn1 ZINC001413981804 905300595 /nfs/dbraw/zinc/30/05/95/905300595.db2.gz MNFXOUSPCYQVMG-NXEZZACHSA-N 1 0 279.300 -0.414 20 30 CBEDRO N#Cc1ccc(CNC(=O)CN2C[C@H](O)[C@H](CO)C2)cc1 ZINC001414008882 905316330 /nfs/dbraw/zinc/31/63/30/905316330.db2.gz QQFZKJBCLTZXPR-KBPBESRZSA-N 1 0 289.335 -0.541 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC001415080782 905543850 /nfs/dbraw/zinc/54/38/50/905543850.db2.gz QJBTWMGQLSNEOM-BNDIWNMDSA-N 1 0 290.367 -0.187 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001417761820 906041549 /nfs/dbraw/zinc/04/15/49/906041549.db2.gz PBFOXDCQEDCLGQ-KYXWUPHJSA-N 1 0 295.343 -0.786 20 30 CBEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCn2cnc(C#N)n2)C1 ZINC001417793266 906054875 /nfs/dbraw/zinc/05/48/75/906054875.db2.gz IVDCOGWWQPGOAW-CYBMUJFWSA-N 1 0 292.343 -0.887 20 30 CBEDRO C[C@H](O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001417815374 906058298 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CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+][C@@H](C)C(N)=O ZINC001419181738 906630063 /nfs/dbraw/zinc/63/00/63/906630063.db2.gz JLZDKLCFKQSVJG-WCBMZHEXSA-N 1 0 277.328 -0.142 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001507466079 921833016 /nfs/dbraw/zinc/83/30/16/921833016.db2.gz NDWJXRNOIXYLSM-MRVPVSSYSA-N 1 0 254.315 -0.806 20 30 CBEDRO N#Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)c[nH]1 ZINC001420076480 906919061 /nfs/dbraw/zinc/91/90/61/906919061.db2.gz FSJWOIMECSPTFD-SKDRFNHKSA-N 1 0 289.339 -0.140 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C(C)C)C1=O ZINC001507467960 921834707 /nfs/dbraw/zinc/83/47/07/921834707.db2.gz WWTKEZAFSPTBQB-OLZOCXBDSA-N 1 0 297.399 -0.162 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)[C@H](C)C#N ZINC001420230179 907033570 /nfs/dbraw/zinc/03/35/70/907033570.db2.gz APFADFZHILWSMM-NXEZZACHSA-N 1 0 297.359 -0.572 20 30 CBEDRO CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(=O)[C@H](C)C#N ZINC001420230188 907034465 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C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC)CCO1 ZINC001502034465 921322257 /nfs/dbraw/zinc/32/22/57/921322257.db2.gz ZBLFXJKAPLQXNL-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC)CCO1 ZINC001502034398 921322928 /nfs/dbraw/zinc/32/29/28/921322928.db2.gz XPUCRZMIUACYKZ-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CSCC#N)CCO1 ZINC001502038146 921323205 /nfs/dbraw/zinc/32/32/05/921323205.db2.gz HALSEMJORSSGQN-QWRGUYRKSA-N 1 0 287.385 -0.559 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001502041757 921324489 /nfs/dbraw/zinc/32/44/89/921324489.db2.gz QYSFLJHLQMPKLM-JTQLQIEISA-N 1 0 280.353 -0.008 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCOCC)CCO1 ZINC001502043822 921325607 /nfs/dbraw/zinc/32/56/07/921325607.db2.gz NOXPPUCXNLSYAO-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001502051434 921327359 /nfs/dbraw/zinc/32/73/59/921327359.db2.gz PGDQQWLZMNNLQK-LBPRGKRZSA-N 1 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KCTMHEVHAOJJQG-GHMZBOCLSA-N 1 0 272.370 -0.604 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001482142267 917064194 /nfs/dbraw/zinc/06/41/94/917064194.db2.gz JAHGCBXEEXHNAP-DOMZBBRYSA-N 1 0 295.383 -0.496 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001482153794 917067046 /nfs/dbraw/zinc/06/70/46/917067046.db2.gz BCLDHGCCRGAVPX-GFCCVEGCSA-N 1 0 278.356 -0.056 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)Cc1nonc1C ZINC001482155688 917068262 /nfs/dbraw/zinc/06/82/62/917068262.db2.gz HXEDYOJTGDXMRA-VIFPVBQESA-N 1 0 250.302 -0.104 20 30 CBEDRO CC(C)[C@H](C(=O)NC[C@@H]1CN(CC#N)CCO1)[NH+](C)C ZINC001482197747 917087499 /nfs/dbraw/zinc/08/74/99/917087499.db2.gz AVQUYJBAHBDKCS-CHWSQXEVSA-N 1 0 282.388 -0.087 20 30 CBEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)CCNC(=O)NC)CC2 ZINC001482241733 917096455 /nfs/dbraw/zinc/09/64/55/917096455.db2.gz UTRMCBGGFGWTIG-UHFFFAOYSA-N 1 0 292.383 -0.137 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnccn1 ZINC001482250285 917096909 /nfs/dbraw/zinc/09/69/09/917096909.db2.gz DPPFYUUDTJFBIG-LLVKDONJSA-N 1 0 289.339 -0.724 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCOC ZINC001482248735 917097401 /nfs/dbraw/zinc/09/74/01/917097401.db2.gz VHSGWWTXGJEPCA-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccoc1 ZINC001482256270 917098978 /nfs/dbraw/zinc/09/89/78/917098978.db2.gz STZMIHDENZGTQT-JTQLQIEISA-N 1 0 278.312 -0.031 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CSCC#N ZINC001482257469 917099072 /nfs/dbraw/zinc/09/90/72/917099072.db2.gz OXIXLABAKSJITP-JTQLQIEISA-N 1 0 298.412 -0.042 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001482264761 917104795 /nfs/dbraw/zinc/10/47/95/917104795.db2.gz BNVKHOORPKUGEA-DTWKUNHWSA-N 1 0 283.332 -0.962 20 30 CBEDRO C#CCCCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001482274889 917108266 /nfs/dbraw/zinc/10/82/66/917108266.db2.gz CYHGIBFPLGHHMT-MNOVXSKESA-N 1 0 296.371 -0.190 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482269503 917110384 /nfs/dbraw/zinc/11/03/84/917110384.db2.gz PFIMKAWGHGPNAW-STQMWFEESA-N 1 0 267.373 -0.223 20 30 CBEDRO CO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001482278675 917112761 /nfs/dbraw/zinc/11/27/61/917112761.db2.gz YYFXKXNBRQESPQ-MFKMUULPSA-N 1 0 296.371 -0.512 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C#CC1CC1 ZINC001482280636 917114715 /nfs/dbraw/zinc/11/47/15/917114715.db2.gz ILAFXEDUPOUZHC-LBPRGKRZSA-N 1 0 275.352 -0.414 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001482289217 917118904 /nfs/dbraw/zinc/11/89/04/917118904.db2.gz RDKSTFOPMJHGEB-QWRGUYRKSA-N 1 0 291.417 -0.063 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cn[nH]n1 ZINC001482303502 917121504 /nfs/dbraw/zinc/12/15/04/917121504.db2.gz DBPUGJHYEOTBSZ-VIFPVBQESA-N 1 0 280.332 -0.843 20 30 CBEDRO C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C(N)=O ZINC001482325817 917125289 /nfs/dbraw/zinc/12/52/89/917125289.db2.gz MMOAVSMIFJZYLS-LBPRGKRZSA-N 1 0 273.336 -0.040 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001482352308 917136094 /nfs/dbraw/zinc/13/60/94/917136094.db2.gz OFSFGKHOXKVMLZ-RYUDHWBXSA-N 1 0 280.372 -0.011 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001482362860 917139775 /nfs/dbraw/zinc/13/97/75/917139775.db2.gz SCIHPIDEKTXUJB-NSHDSACASA-N 1 0 291.417 -0.110 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(N)=O ZINC001482394938 917144497 /nfs/dbraw/zinc/14/44/97/917144497.db2.gz YVVHNCLMFUTYJD-LLVKDONJSA-N 1 0 269.345 -0.758 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C(C)C ZINC001482549040 917159060 /nfs/dbraw/zinc/15/90/60/917159060.db2.gz YDZXLOZRUQFJMC-NWDGAFQWSA-N 1 0 265.357 -0.172 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)C(C)C ZINC001482535661 917159153 /nfs/dbraw/zinc/15/91/53/917159153.db2.gz CEIGPTNVHBMIOJ-WDEREUQCSA-N 1 0 294.355 -0.662 20 30 CBEDRO C=CCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482585446 917167093 /nfs/dbraw/zinc/16/70/93/917167093.db2.gz TXQFXJXXIVGXMW-ZDUSSCGKSA-N 1 0 296.415 -0.227 20 30 CBEDRO CN(CC[N@H+](C)CCOCCO)C(=O)c1ccc(C#N)[nH]1 ZINC001482590311 917167503 /nfs/dbraw/zinc/16/75/03/917167503.db2.gz PWGGGGKWBFQIHQ-UHFFFAOYSA-N 1 0 294.355 -0.101 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001482619525 917186686 /nfs/dbraw/zinc/18/66/86/917186686.db2.gz SVDIPKDMRRXAAC-GFCCVEGCSA-N 1 0 281.356 -0.838 20 30 CBEDRO C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001482624996 917187189 /nfs/dbraw/zinc/18/71/89/917187189.db2.gz FEXKCYAUGYVBIN-ZDUSSCGKSA-N 1 0 296.415 -0.534 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CCc1cnn(C)n1 ZINC001482628179 917189150 /nfs/dbraw/zinc/18/91/50/917189150.db2.gz GZSHSCNAXVSHRI-UHFFFAOYSA-N 1 0 263.345 -0.229 20 30 CBEDRO N#CCSCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001482657107 917194572 /nfs/dbraw/zinc/19/45/72/917194572.db2.gz IESTVKATGPYPII-MNOVXSKESA-N 1 0 296.396 -0.349 20 30 CBEDRO N#CCSCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001482657108 917195116 /nfs/dbraw/zinc/19/51/16/917195116.db2.gz IESTVKATGPYPII-QWRGUYRKSA-N 1 0 296.396 -0.349 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(C)=O ZINC001482666382 917202443 /nfs/dbraw/zinc/20/24/43/917202443.db2.gz KKBMQKVIRXOWHH-VXGBXAGGSA-N 1 0 296.371 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC(F)F ZINC001482682042 917206342 /nfs/dbraw/zinc/20/63/42/917206342.db2.gz MIKPKNYZXRGVLD-VHSXEESVSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC(C)(C)C ZINC001482709428 917210022 /nfs/dbraw/zinc/21/00/22/917210022.db2.gz QOLJSWZABUGCQS-RYUDHWBXSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC(C)(C)C ZINC001482709426 917210863 /nfs/dbraw/zinc/21/08/63/917210863.db2.gz QOLJSWZABUGCQS-NEPJUHHUSA-N 1 0 297.399 -0.373 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC)c1 ZINC001482713811 917219883 /nfs/dbraw/zinc/21/98/83/917219883.db2.gz AVMKEHFLRGKOMM-LBPRGKRZSA-N 1 0 264.329 -0.393 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001482716872 917223627 /nfs/dbraw/zinc/22/36/27/917223627.db2.gz SKCWGVBPDWSHSJ-CMPLNLGQSA-N 1 0 279.344 -0.811 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001482723932 917229465 /nfs/dbraw/zinc/22/94/65/917229465.db2.gz AFSBXQKFWOCURJ-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)o1 ZINC001482725654 917230086 /nfs/dbraw/zinc/23/00/86/917230086.db2.gz LPZFDUZZTMQAMC-SMDDNHRTSA-N 1 0 297.355 -0.123 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001482725394 917231134 /nfs/dbraw/zinc/23/11/34/917231134.db2.gz IUEXYJLIJOSEFY-JSGCOSHPSA-N 1 0 296.371 -0.686 20 30 CBEDRO C#CCOCCC(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001482727582 917234763 /nfs/dbraw/zinc/23/47/63/917234763.db2.gz BSYZJCSKDDLPJZ-LBPRGKRZSA-N 1 0 252.314 -0.884 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001482726113 917235518 /nfs/dbraw/zinc/23/55/18/917235518.db2.gz BOVFMPZDWNAJNY-RKDXNWHRSA-N 1 0 291.298 -0.990 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001482727559 917236285 /nfs/dbraw/zinc/23/62/85/917236285.db2.gz BMTSNUKUXDZLTJ-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001482726018 917236534 /nfs/dbraw/zinc/23/65/34/917236534.db2.gz ARHBBKVMZPDQIY-JTQLQIEISA-N 1 0 267.333 -0.446 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001482736830 917241747 /nfs/dbraw/zinc/24/17/47/917241747.db2.gz ZWLLSVCADDQYMO-CYBMUJFWSA-N 1 0 278.356 -0.639 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1C(F)F ZINC001482737153 917242358 /nfs/dbraw/zinc/24/23/58/917242358.db2.gz GNCFWVBLYCXJRV-QMMMGPOBSA-N 1 0 286.282 -0.329 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001482737052 917243948 /nfs/dbraw/zinc/24/39/48/917243948.db2.gz DUIOEBVQKWBFOJ-SECBINFHSA-N 1 0 276.300 -0.781 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001482743686 917246442 /nfs/dbraw/zinc/24/64/42/917246442.db2.gz HFOXKGVRIBUJOA-CYBMUJFWSA-N 1 0 279.315 -0.147 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001482743829 917248039 /nfs/dbraw/zinc/24/80/39/917248039.db2.gz JYESIQMWYJKTGW-YPMHNXCESA-N 1 0 276.340 -0.855 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001482744041 917248140 /nfs/dbraw/zinc/24/81/40/917248140.db2.gz OPABSLLWIUSCKQ-YPMHNXCESA-N 1 0 278.356 -0.302 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001482756466 917254680 /nfs/dbraw/zinc/25/46/80/917254680.db2.gz SETDJUKXPFWJQA-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C ZINC001482757876 917256072 /nfs/dbraw/zinc/25/60/72/917256072.db2.gz RYPXRPYPTFFBNW-GMTAPVOTSA-N 1 0 269.345 -0.989 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001482759899 917260409 /nfs/dbraw/zinc/26/04/09/917260409.db2.gz DGNKGEXFJQZRAF-WDEREUQCSA-N 1 0 269.345 -0.893 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001482759898 917260865 /nfs/dbraw/zinc/26/08/65/917260865.db2.gz DGNKGEXFJQZRAF-QWRGUYRKSA-N 1 0 269.345 -0.893 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC(C)(F)F ZINC001482764953 917265043 /nfs/dbraw/zinc/26/50/43/917265043.db2.gz ZMUHRTMJJCHXIX-SNVBAGLBSA-N 1 0 278.299 -0.252 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001482773084 917266418 /nfs/dbraw/zinc/26/64/18/917266418.db2.gz LVJBDRZIYXQUTK-NWDGAFQWSA-N 1 0 264.329 -0.466 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001482774897 917272012 /nfs/dbraw/zinc/27/20/12/917272012.db2.gz HQCUCECPSMWRJE-QMMMGPOBSA-N 1 0 273.724 -0.752 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(N(C)C)c1 ZINC001482776259 917272735 /nfs/dbraw/zinc/27/27/35/917272735.db2.gz WOZVLYLEAGVHEX-ZDUSSCGKSA-N 1 0 290.367 -0.149 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)COc1cccnc1 ZINC001482778829 917274672 /nfs/dbraw/zinc/27/46/72/917274672.db2.gz SNOXHQVROWLECZ-LLVKDONJSA-N 1 0 263.297 -0.840 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001482778600 917274995 /nfs/dbraw/zinc/27/49/95/917274995.db2.gz PTOMOETZFPOZDL-CYBMUJFWSA-N 1 0 299.415 -0.260 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)nn1C ZINC001482781941 917278194 /nfs/dbraw/zinc/27/81/94/917278194.db2.gz LQRHGESXIMSBIJ-LBPRGKRZSA-N 1 0 278.356 -0.314 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001482780460 917279166 /nfs/dbraw/zinc/27/91/66/917279166.db2.gz AVPGVGURTRMCDC-JSGCOSHPSA-N 1 0 268.357 -0.107 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1F ZINC001482781008 917280430 /nfs/dbraw/zinc/28/04/30/917280430.db2.gz FPFTWBLYWGSIGT-LLVKDONJSA-N 1 0 295.314 -0.449 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CNC(=O)c1ccccc1 ZINC001482789104 917283173 /nfs/dbraw/zinc/28/31/73/917283173.db2.gz WDDOPCOLZAMUET-CYBMUJFWSA-N 1 0 291.351 -0.331 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482793126 917286241 /nfs/dbraw/zinc/28/62/41/917286241.db2.gz CJUJRUNQHMFSBK-LLVKDONJSA-N 1 0 263.297 -0.509 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cccnc1N(C)C ZINC001482790963 917286870 /nfs/dbraw/zinc/28/68/70/917286870.db2.gz MRLYYDRQULKBGN-LBPRGKRZSA-N 1 0 290.367 -0.149 20 30 CBEDRO C=C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001482796804 917288045 /nfs/dbraw/zinc/28/80/45/917288045.db2.gz DRHSFNIFCLPPHY-CHWSQXEVSA-N 1 0 291.351 -0.492 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCn1cc(Cl)cn1 ZINC001482799587 917289948 /nfs/dbraw/zinc/28/99/48/917289948.db2.gz QMWXGFGKMNZHGS-NSHDSACASA-N 1 0 284.747 -0.374 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001482799206 917292793 /nfs/dbraw/zinc/29/27/93/917292793.db2.gz METTULRMFHKJQX-QWHCGFSZSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001482803310 917296222 /nfs/dbraw/zinc/29/62/22/917296222.db2.gz DIPHNWPOKKVENK-CMPLNLGQSA-N 1 0 264.329 -0.777 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC1 ZINC001482804902 917296681 /nfs/dbraw/zinc/29/66/81/917296681.db2.gz POMJQORGNVLNLK-JTQLQIEISA-N 1 0 296.371 -0.107 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)CC[NH2+]Cc1ncnn1C ZINC001482818282 917303908 /nfs/dbraw/zinc/30/39/08/917303908.db2.gz MPFPOXCBKPCAOG-NXEZZACHSA-N 1 0 264.333 -0.041 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001482830393 917306388 /nfs/dbraw/zinc/30/63/88/917306388.db2.gz REKLSRPTCLQJCY-WDEREUQCSA-N 1 0 291.355 -0.354 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001482832010 917306570 /nfs/dbraw/zinc/30/65/70/917306570.db2.gz RPXBPJMWAGQFDW-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO Cc1c[nH]nc1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N ZINC001482831477 917307487 /nfs/dbraw/zinc/30/74/87/917307487.db2.gz NHNDVCBAORYBMG-SNVBAGLBSA-N 1 0 292.343 -0.544 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482838953 917308214 /nfs/dbraw/zinc/30/82/14/917308214.db2.gz VWZKBEZBVQFDHF-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001482838954 917310695 /nfs/dbraw/zinc/31/06/95/917310695.db2.gz VWZKBEZBVQFDHF-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001482860985 917312006 /nfs/dbraw/zinc/31/20/06/917312006.db2.gz QNNJFPXFXCZEOS-SNVBAGLBSA-N 1 0 272.312 -0.145 20 30 CBEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001482879503 917319760 /nfs/dbraw/zinc/31/97/60/917319760.db2.gz VUPWHTREIWTHBD-IUCAKERBSA-N 1 0 268.317 -0.745 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001482902961 917330315 /nfs/dbraw/zinc/33/03/15/917330315.db2.gz KFLKKJAEGUBLPR-SNVBAGLBSA-N 1 0 274.324 -0.088 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001482929769 917340912 /nfs/dbraw/zinc/34/09/12/917340912.db2.gz JLFSRLMCVYUSGT-JTQLQIEISA-N 1 0 282.344 -0.401 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)CN1CCNC(=O)C1 ZINC001482944023 917347933 /nfs/dbraw/zinc/34/79/33/917347933.db2.gz RZSHKHJHUJTAIY-UHFFFAOYSA-N 1 0 282.388 -0.568 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001482981667 917354294 /nfs/dbraw/zinc/35/42/94/917354294.db2.gz SRPZOSOVVGTALY-RXNFCKPNSA-N 1 0 252.314 -0.313 20 30 CBEDRO CCOCC(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001482978036 917355964 /nfs/dbraw/zinc/35/59/64/917355964.db2.gz YMMQLEHIYLLFKT-SNAWJCMRSA-N 1 0 254.330 -0.065 20 30 CBEDRO CC(C)CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001482978364 917356786 /nfs/dbraw/zinc/35/67/86/917356786.db2.gz KMLVRZDEPJEQNH-ONEGZZNKSA-N 1 0 266.345 -0.066 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCO1 ZINC001482982634 917357424 /nfs/dbraw/zinc/35/74/24/917357424.db2.gz PMFJBJGESSUXLJ-GXFZAYBSSA-N 1 0 280.328 -0.933 20 30 CBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H](C)C#N ZINC001482990872 917363921 /nfs/dbraw/zinc/36/39/21/917363921.db2.gz IYMJYCCQFXPWCJ-OOMSKYPHSA-N 1 0 295.343 -0.748 20 30 CBEDRO C#CCCCC(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483005379 917367793 /nfs/dbraw/zinc/36/77/93/917367793.db2.gz YMKQILQYURBSDM-FOQNGQEVSA-N 1 0 291.351 -0.143 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001483015555 917376974 /nfs/dbraw/zinc/37/69/74/917376974.db2.gz MJJYNGQPFKUMLH-MUBLQREKSA-N 1 0 293.367 -0.624 20 30 CBEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)CN1CCNC(=O)C1 ZINC001483043782 917387735 /nfs/dbraw/zinc/38/77/35/917387735.db2.gz LKXSOYKGVRZCQR-ARJAWSKDSA-N 1 0 294.399 -0.354 20 30 CBEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CNC(=O)N1 ZINC001483052082 917389600 /nfs/dbraw/zinc/38/96/00/917389600.db2.gz HXQXUTJJPXCYTM-HMDXOVGESA-N 1 0 252.318 -0.494 20 30 CBEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CNC(=O)N1 ZINC001483052084 917391572 /nfs/dbraw/zinc/39/15/72/917391572.db2.gz HXQXUTJJPXCYTM-XOULXFPDSA-N 1 0 252.318 -0.494 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCOC1 ZINC001483051683 917393918 /nfs/dbraw/zinc/39/39/18/917393918.db2.gz WWJFPXHAQXEOEU-RDFMZFSFSA-N 1 0 299.346 -0.321 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001483065008 917395396 /nfs/dbraw/zinc/39/53/96/917395396.db2.gz OGOJWWUCBLTIQA-ZADCQDASSA-N 1 0 287.385 -0.791 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)CCn1cnccc1=O ZINC001483077055 917399308 /nfs/dbraw/zinc/39/93/08/917399308.db2.gz POCASSDLUXDVEA-SNAWJCMRSA-N 1 0 288.351 -0.081 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@]1(C)CCOC1 ZINC001483078431 917401203 /nfs/dbraw/zinc/40/12/03/917401203.db2.gz QZNWFDQEENFNQH-RGDDUWESSA-N 1 0 295.383 -0.023 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)nc1 ZINC001483083301 917404364 /nfs/dbraw/zinc/40/43/64/917404364.db2.gz HDVWDMOCXFSINE-NQHOJNORSA-N 1 0 298.346 -0.173 20 30 CBEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001483092449 917405079 /nfs/dbraw/zinc/40/50/79/917405079.db2.gz FHAFNUADTUSBRP-PLNGDYQASA-N 1 0 292.339 -0.062 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(C)=O ZINC001483101572 917408048 /nfs/dbraw/zinc/40/80/48/917408048.db2.gz FSIJZNUXGMDREG-BDAKNGLRSA-N 1 0 270.333 -0.499 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1CCOCC1 ZINC001483103722 917408217 /nfs/dbraw/zinc/40/82/17/917408217.db2.gz RLZKICSXUZTGAL-SNVBAGLBSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CCOC1 ZINC001483116762 917418268 /nfs/dbraw/zinc/41/82/68/917418268.db2.gz TWHYYNQVABYIRC-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ncccc1C ZINC001483118200 917418489 /nfs/dbraw/zinc/41/84/89/917418489.db2.gz NEPBHODRLMLOBP-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001483123045 917421299 /nfs/dbraw/zinc/42/12/99/917421299.db2.gz SHEPWPREYHUOLS-RISCZKNCSA-N 1 0 298.387 -0.567 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CCNC(=O)NC ZINC001483125830 917425536 /nfs/dbraw/zinc/42/55/36/917425536.db2.gz UXPCGMGVFNJEFX-SNVBAGLBSA-N 1 0 256.350 -0.024 20 30 CBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C#CC(C)C ZINC001483125944 917425737 /nfs/dbraw/zinc/42/57/37/917425737.db2.gz HGGGWYMOCUQEIM-MNOVXSKESA-N 1 0 296.371 -0.416 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001483154376 917437730 /nfs/dbraw/zinc/43/77/30/917437730.db2.gz WHMQJCXUZPAIOA-ZYHUDNBSSA-N 1 0 264.329 -0.165 20 30 CBEDRO Cc1c[nH]c(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)n1 ZINC001483174838 917447437 /nfs/dbraw/zinc/44/74/37/917447437.db2.gz LYMHCFFZQSUJFV-MRVPVSSYSA-N 1 0 278.316 -0.934 20 30 CBEDRO CCn1ccc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)n1 ZINC001483172958 917447878 /nfs/dbraw/zinc/44/78/78/917447878.db2.gz ZFUBYHFUMFSXNT-SNVBAGLBSA-N 1 0 292.343 -0.749 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001483169108 917448459 /nfs/dbraw/zinc/44/84/59/917448459.db2.gz QHZXXLDJXUBVIU-NXEZZACHSA-N 1 0 277.390 -0.406 20 30 CBEDRO Cc1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)c(C)[nH]1 ZINC001483170879 917449815 /nfs/dbraw/zinc/44/98/15/917449815.db2.gz WTHPBQXSAYYZRO-SNVBAGLBSA-N 1 0 291.355 -0.021 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001483194853 917460289 /nfs/dbraw/zinc/46/02/89/917460289.db2.gz OVFQTEYRTCLNOQ-SECBINFHSA-N 1 0 262.313 -0.155 20 30 CBEDRO C=CCCOCC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001483199949 917463035 /nfs/dbraw/zinc/46/30/35/917463035.db2.gz BIFZQBLVVAUTHB-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCCC(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483212768 917467973 /nfs/dbraw/zinc/46/79/73/917467973.db2.gz CLDYTFXQHJADKZ-UWVGGRQHSA-N 1 0 267.329 -0.148 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ncccc1C ZINC001483218056 917472661 /nfs/dbraw/zinc/47/26/61/917472661.db2.gz NEPBHODRLMLOBP-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001483218840 917474884 /nfs/dbraw/zinc/47/48/84/917474884.db2.gz OAIGRHUVJNCBMK-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001483226979 917481663 /nfs/dbraw/zinc/48/16/63/917481663.db2.gz 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CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(CC2CC2)c1 ZINC001486051948 918343633 /nfs/dbraw/zinc/34/36/33/918343633.db2.gz XDPZLHKPLSUUQT-AWEZNQCLSA-N 1 0 290.367 -0.003 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(CC2CC2)c1 ZINC001486051950 918345401 /nfs/dbraw/zinc/34/54/01/918345401.db2.gz XDPZLHKPLSUUQT-CQSZACIVSA-N 1 0 290.367 -0.003 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001486049613 918345786 /nfs/dbraw/zinc/34/57/86/918345786.db2.gz XYOJHBFHFOMLAC-JTQLQIEISA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(CC)c[nH]c1=O ZINC001486049181 918347195 /nfs/dbraw/zinc/34/71/95/918347195.db2.gz UUHWOQMXRCOXAS-NSHDSACASA-N 1 0 277.324 -0.337 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1ccc(=O)n(C)n1 ZINC001486059393 918348721 /nfs/dbraw/zinc/34/87/21/918348721.db2.gz QDYQDDXMOZMERC-JTQLQIEISA-N 1 0 280.328 -0.963 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)OC)nc1 ZINC001486055884 918350137 /nfs/dbraw/zinc/35/01/37/918350137.db2.gz PTRNVISVZFYORN-WCQYABFASA-N 1 0 291.351 -0.222 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC001486098017 918362028 /nfs/dbraw/zinc/36/20/28/918362028.db2.gz ZTJUDXQNZDTQMR-GHMZBOCLSA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001486097857 918362827 /nfs/dbraw/zinc/36/28/27/918362827.db2.gz WFNFBKKTRXZUGM-VXGBXAGGSA-N 1 0 261.329 -0.120 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC)C1 ZINC001486098841 918364588 /nfs/dbraw/zinc/36/45/88/918364588.db2.gz SQGQEGYTKBFGJS-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001486112740 918367525 /nfs/dbraw/zinc/36/75/25/918367525.db2.gz SVIVCZWLUVIQGD-QWRGUYRKSA-N 1 0 262.317 -0.725 20 30 CBEDRO C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001486131222 918371386 /nfs/dbraw/zinc/37/13/86/918371386.db2.gz SOLRGEDSVLVCEW-CMPLNLGQSA-N 1 0 291.351 -0.359 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001486129170 918374043 /nfs/dbraw/zinc/37/40/43/918374043.db2.gz OLBSSXIWTYDWEK-GHMZBOCLSA-N 1 0 292.339 -0.860 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CNC2=O)C1 ZINC001486129171 918374124 /nfs/dbraw/zinc/37/41/24/918374124.db2.gz OLBSSXIWTYDWEK-MNOVXSKESA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001486218552 918386766 /nfs/dbraw/zinc/38/67/66/918386766.db2.gz MTXGQQMJALGYSN-NEPJUHHUSA-N 1 0 288.351 -0.098 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001486258705 918393170 /nfs/dbraw/zinc/39/31/70/918393170.db2.gz AXYZLQNWQMYDFB-LBPRGKRZSA-N 1 0 264.329 -0.685 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(C)C ZINC001486261911 918396172 /nfs/dbraw/zinc/39/61/72/918396172.db2.gz OMNLFRCSFGWQSW-NWDGAFQWSA-N 1 0 283.372 -0.811 20 30 CBEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001486263982 918397731 /nfs/dbraw/zinc/39/77/31/918397731.db2.gz AXGFENRXJOWNHW-WDEREUQCSA-N 1 0 284.360 -0.967 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ncccc1O ZINC001486271353 918400636 /nfs/dbraw/zinc/40/06/36/918400636.db2.gz BVKNDXSPBFFFJE-SNVBAGLBSA-N 1 0 265.313 -0.004 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001486271583 918400779 /nfs/dbraw/zinc/40/07/79/918400779.db2.gz CILKQDBAVBMECQ-LBPRGKRZSA-N 1 0 281.360 -0.347 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001486272027 918400914 /nfs/dbraw/zinc/40/09/14/918400914.db2.gz TYKPJOAOLRBUOT-GHMZBOCLSA-N 1 0 270.329 -0.466 20 30 CBEDRO CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486272105 918401434 /nfs/dbraw/zinc/40/14/34/918401434.db2.gz UITPAYCTEQPNQI-ZYHUDNBSSA-N 1 0 294.355 -0.056 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001486272032 918402234 /nfs/dbraw/zinc/40/22/34/918402234.db2.gz TYKPJOAOLRBUOT-WDEREUQCSA-N 1 0 270.329 -0.466 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001486273502 918405107 /nfs/dbraw/zinc/40/51/07/918405107.db2.gz ZNDZYPULAWXZLD-LLVKDONJSA-N 1 0 270.329 -0.818 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001486275458 918406422 /nfs/dbraw/zinc/40/64/22/918406422.db2.gz PUFSODABPKEHKA-SNVBAGLBSA-N 1 0 267.333 -0.586 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001486278327 918407849 /nfs/dbraw/zinc/40/78/49/918407849.db2.gz ICHQBPNPRFMWOP-VXGBXAGGSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C1CS(=O)(=O)C1 ZINC001486281370 918409089 /nfs/dbraw/zinc/40/90/89/918409089.db2.gz QCFXYJGCAKGPSN-NSHDSACASA-N 1 0 290.385 -0.984 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cnc(C)o1 ZINC001486282055 918409258 /nfs/dbraw/zinc/40/92/58/918409258.db2.gz YCAHHEJFRALQJN-NSHDSACASA-N 1 0 265.313 -0.432 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1COCCN1CC ZINC001486286495 918410476 /nfs/dbraw/zinc/41/04/76/918410476.db2.gz VCHOMRUGWHVXII-KBPBESRZSA-N 1 0 297.399 -0.861 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001486285481 918410938 /nfs/dbraw/zinc/41/09/38/918410938.db2.gz HONCTKWVLFYNJZ-SNVBAGLBSA-N 1 0 293.323 -0.576 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001486285159 918411486 /nfs/dbraw/zinc/41/14/86/918411486.db2.gz FGWCDHHOFKHMSI-WDEREUQCSA-N 1 0 290.385 -0.984 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001486286955 918412962 /nfs/dbraw/zinc/41/29/62/918412962.db2.gz AUBAJGKPQCEUPK-NSHDSACASA-N 1 0 290.367 -0.056 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001486296823 918415689 /nfs/dbraw/zinc/41/56/89/918415689.db2.gz XULRZVVDASRDTE-YPMHNXCESA-N 1 0 272.320 -0.453 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccco1 ZINC001486307095 918419305 /nfs/dbraw/zinc/41/93/05/918419305.db2.gz LUTFIEKSBQMGKJ-ZDUSSCGKSA-N 1 0 294.351 -0.119 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001486310420 918420112 /nfs/dbraw/zinc/42/01/12/918420112.db2.gz WKTGIWRWTGPCCF-QWHCGFSZSA-N 1 0 297.399 -0.160 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001486310418 918420609 /nfs/dbraw/zinc/42/06/09/918420609.db2.gz WKTGIWRWTGPCCF-CHWSQXEVSA-N 1 0 297.399 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c(C)noc1C ZINC001486316170 918422386 /nfs/dbraw/zinc/42/23/86/918422386.db2.gz VLMCRCOECOCCMQ-GFCCVEGCSA-N 1 0 279.340 -0.124 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001486314838 918422547 /nfs/dbraw/zinc/42/25/47/918422547.db2.gz ZCDBUWUJIHLIHN-CHWSQXEVSA-N 1 0 295.383 -0.571 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccc[nH]1 ZINC001486318331 918423521 /nfs/dbraw/zinc/42/35/21/918423521.db2.gz RJYKMPMTRVPHRP-CQSZACIVSA-N 1 0 293.367 -0.384 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001486311390 918423808 /nfs/dbraw/zinc/42/38/08/918423808.db2.gz IINAGGKMIYBYOT-LBPRGKRZSA-N 1 0 293.367 -0.016 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001486322663 918425789 /nfs/dbraw/zinc/42/57/89/918425789.db2.gz YIJHGRDLVLOKAA-ZDUSSCGKSA-N 1 0 293.371 -0.820 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001486328769 918431013 /nfs/dbraw/zinc/43/10/13/918431013.db2.gz NRAOEKWRNLSZKI-QWHCGFSZSA-N 1 0 297.399 -0.018 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001486324870 918433663 /nfs/dbraw/zinc/43/36/63/918433663.db2.gz UELRQEAYWPOQTE-GFCCVEGCSA-N 1 0 271.361 -0.550 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001486329822 918436174 /nfs/dbraw/zinc/43/61/74/918436174.db2.gz FQVFAMPQOLQKSP-NEPJUHHUSA-N 1 0 281.360 -0.224 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001486332171 918438110 /nfs/dbraw/zinc/43/81/10/918438110.db2.gz FLHXXFFDLIJSRR-LBPRGKRZSA-N 1 0 294.355 -0.305 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001486345498 918441879 /nfs/dbraw/zinc/44/18/79/918441879.db2.gz RTKYUIZMRMBLLV-JTQLQIEISA-N 1 0 280.328 -0.876 20 30 CBEDRO C#Cc1cncc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)c1 ZINC001486350534 918444015 /nfs/dbraw/zinc/44/40/15/918444015.db2.gz ZJHWLKKRNKZKNM-AWEZNQCLSA-N 1 0 291.351 -0.580 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486347158 918444691 /nfs/dbraw/zinc/44/46/91/918444691.db2.gz LUGGXMMZENWOFL-SNVBAGLBSA-N 1 0 257.334 -0.811 20 30 CBEDRO CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001486352050 918445807 /nfs/dbraw/zinc/44/58/07/918445807.db2.gz XZILGIZYHRQLGE-UONOGXRCSA-N 1 0 297.399 -0.325 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](COC)OC ZINC001486348476 918445993 /nfs/dbraw/zinc/44/59/93/918445993.db2.gz CPPZAMABUXPKPC-RYUDHWBXSA-N 1 0 272.345 -0.968 20 30 CBEDRO CN(CC#N)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001486354931 918447099 /nfs/dbraw/zinc/44/70/99/918447099.db2.gz DDZVYVKHDMNMHX-LBPRGKRZSA-N 1 0 268.361 -0.643 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1cnn(CC)c1 ZINC001486355032 918447393 /nfs/dbraw/zinc/44/73/93/918447393.db2.gz 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IIPDWGVOBQNOGB-ZJUUUORDSA-N 1 0 286.401 -0.186 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)SC ZINC001491400058 919138246 /nfs/dbraw/zinc/13/82/46/919138246.db2.gz YEEMKJIMMUTAJC-NXEZZACHSA-N 1 0 271.386 -0.418 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CNC(=O)OC ZINC001491406232 919140043 /nfs/dbraw/zinc/14/00/43/919140043.db2.gz ZPDKJIIYOLZBPP-SNVBAGLBSA-N 1 0 271.317 -0.914 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1nccnc1N ZINC001491414454 919144749 /nfs/dbraw/zinc/14/47/49/919144749.db2.gz ULKIYQUDXQRRMC-VIFPVBQESA-N 1 0 292.343 -0.931 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001491431869 919155549 /nfs/dbraw/zinc/15/55/49/919155549.db2.gz OEPUTIQFPSKJNT-NWDGAFQWSA-N 1 0 281.356 -0.743 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1cn(C)cn1 ZINC001491430850 919156532 /nfs/dbraw/zinc/15/65/32/919156532.db2.gz JEIOREVFCJFKOP-LLVKDONJSA-N 1 0 264.329 -0.222 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)CN1CCOCC1 ZINC001491433373 919157536 /nfs/dbraw/zinc/15/75/36/919157536.db2.gz CKQKVESHETWLQZ-LBPRGKRZSA-N 1 0 253.346 -0.564 20 30 CBEDRO CCc1[nH]ccc1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001491444604 919164830 /nfs/dbraw/zinc/16/48/30/919164830.db2.gz KLCCXYHQQYSZKM-SNVBAGLBSA-N 1 0 291.355 -0.075 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cn(C)nn1 ZINC001491444403 919165017 /nfs/dbraw/zinc/16/50/17/919165017.db2.gz IYHYNDLIKLTVGE-NXEZZACHSA-N 1 0 294.359 -0.786 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001491444405 919166354 /nfs/dbraw/zinc/16/63/54/919166354.db2.gz IYHYNDLIKLTVGE-VHSXEESVSA-N 1 0 294.359 -0.786 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1c(C)ccn1C ZINC001491443219 919166688 /nfs/dbraw/zinc/16/66/88/919166688.db2.gz XMETUUWSAUCPHB-LBPRGKRZSA-N 1 0 290.367 -0.209 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001491456226 919168639 /nfs/dbraw/zinc/16/86/39/919168639.db2.gz XGLNOQOKSVIYEI-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001491455197 919170334 /nfs/dbraw/zinc/17/03/34/919170334.db2.gz OZYRINUGSQPUHC-STQMWFEESA-N 1 0 297.399 -0.014 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001491473147 919172515 /nfs/dbraw/zinc/17/25/15/919172515.db2.gz HUCYXHOTNIAEKU-NSHDSACASA-N 1 0 294.355 -0.783 20 30 CBEDRO C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001491463576 919174614 /nfs/dbraw/zinc/17/46/14/919174614.db2.gz VIPIUMLUMOYPNB-GHMZBOCLSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001491477826 919179330 /nfs/dbraw/zinc/17/93/30/919179330.db2.gz MKPWBPREKDFNHJ-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001491510608 919188372 /nfs/dbraw/zinc/18/83/72/919188372.db2.gz VSCAAFXPZOZDOV-LBPRGKRZSA-N 1 0 291.351 -0.164 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)c1csnn1 ZINC001491540528 919194983 /nfs/dbraw/zinc/19/49/83/919194983.db2.gz WWWMJOMIIBKTAA-VIFPVBQESA-N 1 0 268.342 -0.104 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001491567902 919208233 /nfs/dbraw/zinc/20/82/33/919208233.db2.gz IIPZQBIELOVPEO-VIFPVBQESA-N 1 0 250.302 -0.143 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cncc(C#C)c1 ZINC001491576936 919215273 /nfs/dbraw/zinc/21/52/73/919215273.db2.gz GKUHYCLFSIQKBR-GFCCVEGCSA-N 1 0 298.346 -0.480 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cncc(C#C)c1 ZINC001491576938 919216232 /nfs/dbraw/zinc/21/62/32/919216232.db2.gz GKUHYCLFSIQKBR-LBPRGKRZSA-N 1 0 298.346 -0.480 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001491590489 919219469 /nfs/dbraw/zinc/21/94/69/919219469.db2.gz PEPQUIVROWQSAK-DTWKUNHWSA-N 1 0 297.808 -0.229 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O)nn1 ZINC001491606226 919222125 /nfs/dbraw/zinc/22/21/25/919222125.db2.gz RUQGKXBRCGVSOA-NXEZZACHSA-N 1 0 294.359 -0.564 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)CNC(C)=O ZINC001491603900 919222500 /nfs/dbraw/zinc/22/25/00/919222500.db2.gz BKEUVTQZYYUGIJ-GFCCVEGCSA-N 1 0 297.399 -0.107 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001491605798 919223455 /nfs/dbraw/zinc/22/34/55/919223455.db2.gz PFIBUPZOEXXZHE-MDZLAQPJSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001491605796 919223600 /nfs/dbraw/zinc/22/36/00/919223600.db2.gz PFIBUPZOEXXZHE-GVXVVHGQSA-N 1 0 283.372 -0.192 20 30 CBEDRO C#CCC[NH2+][C@H](C)CNC(=O)C1CCS(=O)(=O)CC1 ZINC001491596180 919224256 /nfs/dbraw/zinc/22/42/56/919224256.db2.gz CHCSUHREAGJOOF-LLVKDONJSA-N 1 0 286.397 -0.071 20 30 CBEDRO Cc1cc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)ccn1 ZINC001491615322 919231783 /nfs/dbraw/zinc/23/17/83/919231783.db2.gz RZMUSKVEIVDQEM-LLVKDONJSA-N 1 0 289.339 -0.262 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)CCn1cnccc1=O ZINC001491626686 919235628 /nfs/dbraw/zinc/23/56/28/919235628.db2.gz WVGYNPOXTPIDMJ-NSHDSACASA-N 1 0 264.329 -0.086 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1ccnc1C ZINC001491675488 919251268 /nfs/dbraw/zinc/25/12/68/919251268.db2.gz UKMROHIJBIXDNT-NSHDSACASA-N 1 0 293.371 -0.412 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001491685533 919257055 /nfs/dbraw/zinc/25/70/55/919257055.db2.gz FHFYYYTVOLMHDH-WDEREUQCSA-N 1 0 261.329 -0.432 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC001491715776 919258729 /nfs/dbraw/zinc/25/87/29/919258729.db2.gz SOJQOQFVEPQTNR-QMMMGPOBSA-N 1 0 292.261 -0.231 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CSCC#N)C1 ZINC001491712713 919259879 /nfs/dbraw/zinc/25/98/79/919259879.db2.gz PVPVWSODIKDPGS-WDEREUQCSA-N 1 0 287.385 -0.559 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001491748314 919269446 /nfs/dbraw/zinc/26/94/46/919269446.db2.gz IXACIXUFAFLLEB-JTQLQIEISA-N 1 0 275.374 -0.568 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001491777915 919275676 /nfs/dbraw/zinc/27/56/76/919275676.db2.gz LXGCBQDHURFCES-NXEZZACHSA-N 1 0 287.310 -0.173 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccco2)C1 ZINC001491780788 919275777 /nfs/dbraw/zinc/27/57/77/919275777.db2.gz OBDWDAXZEVXLEA-LLVKDONJSA-N 1 0 290.323 -0.029 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001491791359 919277684 /nfs/dbraw/zinc/27/76/84/919277684.db2.gz MLFLDDRBWIGDRQ-CYBMUJFWSA-N 1 0 295.383 -0.141 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001491795511 919280797 /nfs/dbraw/zinc/28/07/97/919280797.db2.gz QXTDOXNMYVZKEY-QWHCGFSZSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001491814969 919284929 /nfs/dbraw/zinc/28/49/29/919284929.db2.gz WSMADLCHFMRXKW-IUODEOHRSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001491808907 919286087 /nfs/dbraw/zinc/28/60/87/919286087.db2.gz QBJYOTZNASKRRR-NSHDSACASA-N 1 0 266.345 -0.623 20 30 CBEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001491965073 919304653 /nfs/dbraw/zinc/30/46/53/919304653.db2.gz FZERHKSWATYAMQ-NSHDSACASA-N 1 0 289.401 -0.356 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCCO1 ZINC001491985240 919307071 /nfs/dbraw/zinc/30/70/71/919307071.db2.gz MTDNHIIFPFMCCJ-RYUDHWBXSA-N 1 0 254.330 -0.091 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001491992421 919307528 /nfs/dbraw/zinc/30/75/28/919307528.db2.gz UDYJTNUSJKCYRF-GHMZBOCLSA-N 1 0 296.371 -0.948 20 30 CBEDRO CC[C@@H](F)C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001492067412 919319058 /nfs/dbraw/zinc/31/90/58/919319058.db2.gz GLQHKMOVCFXZIF-NXEZZACHSA-N 1 0 272.324 -0.141 20 30 CBEDRO CC[C@@H](F)C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001492067414 919320093 /nfs/dbraw/zinc/32/00/93/919320093.db2.gz GLQHKMOVCFXZIF-VHSXEESVSA-N 1 0 272.324 -0.141 20 30 CBEDRO C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001492071809 919320926 /nfs/dbraw/zinc/32/09/26/919320926.db2.gz DTZQWSWNIUYGTL-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492075375 919321012 /nfs/dbraw/zinc/32/10/12/919321012.db2.gz KVKKLDWXDDIZIG-JTQLQIEISA-N 1 0 262.313 -0.109 20 30 CBEDRO C[C@@H](CCNC(=O)c1ccncn1)[NH2+]CC(=O)NCC#N ZINC001492102300 919322756 /nfs/dbraw/zinc/32/27/56/919322756.db2.gz VRPSBCHTMSAJCJ-JTQLQIEISA-N 1 0 290.327 -0.786 20 30 CBEDRO C=CC[NH2+][C@H](C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001492091667 919322900 /nfs/dbraw/zinc/32/29/00/919322900.db2.gz FWHXSGYNWDMWQO-SECBINFHSA-N 1 0 296.327 -0.923 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)c1n[nH]cc1F ZINC001492081233 919324766 /nfs/dbraw/zinc/32/47/66/919324766.db2.gz PUDKKXWTJJXXBP-SECBINFHSA-N 1 0 297.334 -0.051 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001492085357 919324798 /nfs/dbraw/zinc/32/47/98/919324798.db2.gz RIFRUYOOKGSQFD-UTUOFQBUSA-N 1 0 281.356 -0.758 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[C@H](C)[NH2+]CC(=O)NC)nc1 ZINC001492113662 919325666 /nfs/dbraw/zinc/32/56/66/919325666.db2.gz 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C[C@@H](CNC(=O)[C@@H](C)C#N)C[NH2+]CC(=O)NCC#N ZINC001495634076 919915837 /nfs/dbraw/zinc/91/58/37/919915837.db2.gz UHUYNUYIKACKSC-ZJUUUORDSA-N 1 0 265.317 -0.872 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CO[C@H]1CCOC1 ZINC001495670152 919923486 /nfs/dbraw/zinc/92/34/86/919923486.db2.gz YDWWRTMBHBBQNV-NEPJUHHUSA-N 1 0 254.330 -0.233 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001495669638 919924182 /nfs/dbraw/zinc/92/41/82/919924182.db2.gz BZAJBLNAYSEKRA-SNVBAGLBSA-N 1 0 274.386 -0.051 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001495736280 919939162 /nfs/dbraw/zinc/93/91/62/919939162.db2.gz ZGRYYLVQDHIUMY-SECBINFHSA-N 1 0 250.302 -0.286 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cnon1 ZINC001495770327 919942064 /nfs/dbraw/zinc/94/20/64/919942064.db2.gz NNMWXYBBUFNCHC-UWVGGRQHSA-N 1 0 295.343 -0.284 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001495798537 919946029 /nfs/dbraw/zinc/94/60/29/919946029.db2.gz 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COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001496158151 920036060 /nfs/dbraw/zinc/03/60/60/920036060.db2.gz PUHBCBDRJHKTBF-DOMZBBRYSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)NC(C)=O ZINC001496167407 920036111 /nfs/dbraw/zinc/03/61/11/920036111.db2.gz OBNGOVOJOKTBQE-CMPLNLGQSA-N 1 0 253.346 -0.029 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001496181854 920038858 /nfs/dbraw/zinc/03/88/58/920038858.db2.gz SJESEIZPRMSJBG-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1ccccc1=O ZINC001496235701 920046770 /nfs/dbraw/zinc/04/67/70/920046770.db2.gz VNUSKFONXGIBPM-GFCCVEGCSA-N 1 0 261.325 -0.082 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001496224455 920047148 /nfs/dbraw/zinc/04/71/48/920047148.db2.gz BDQAVQZQNACQCY-NXEZZACHSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC)C[C@H]1C ZINC001496332001 920057970 /nfs/dbraw/zinc/05/79/70/920057970.db2.gz HGJPFEMMZMKDOO-VXGBXAGGSA-N 1 0 281.356 -0.791 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001496349428 920063120 /nfs/dbraw/zinc/06/31/20/920063120.db2.gz CAVRHLXFPSKRGX-RYUDHWBXSA-N 1 0 291.355 -0.105 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)CN(C)C(=O)COC)C(C)C ZINC001496564337 920088186 /nfs/dbraw/zinc/08/81/86/920088186.db2.gz DDXORUOMALKLJA-CYBMUJFWSA-N 1 0 297.399 -0.155 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)C(=O)NCC(F)F)C(C)C ZINC001496576647 920091621 /nfs/dbraw/zinc/09/16/21/920091621.db2.gz XJCLURGHYATSBG-VIFPVBQESA-N 1 0 275.299 -0.269 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001496598290 920093139 /nfs/dbraw/zinc/09/31/39/920093139.db2.gz KLXIYONTAVVRNW-VHSXEESVSA-N 1 0 252.318 -0.969 20 30 CBEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)C[C@@](C)(O)C=C ZINC001496693021 920114085 /nfs/dbraw/zinc/11/40/85/920114085.db2.gz OZMRAUGJAYKAQJ-HNNXBMFYSA-N 1 0 295.383 -0.547 20 30 CBEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)C[C@](C)(O)C=C ZINC001496693023 920116569 /nfs/dbraw/zinc/11/65/69/920116569.db2.gz OZMRAUGJAYKAQJ-OAHLLOKOSA-N 1 0 295.383 -0.547 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001496713003 920119989 /nfs/dbraw/zinc/11/99/89/920119989.db2.gz BNSTYBZMVRIXDL-UHFFFAOYSA-N 1 0 289.401 -0.661 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496712926 920120580 /nfs/dbraw/zinc/12/05/80/920120580.db2.gz AYFYWHCJSFWXSO-LLVKDONJSA-N 1 0 251.330 -0.512 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001496758106 920129136 /nfs/dbraw/zinc/12/91/36/920129136.db2.gz KINABOAYDUAIAJ-LBPRGKRZSA-N 1 0 296.371 -0.950 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001496816052 920134157 /nfs/dbraw/zinc/13/41/57/920134157.db2.gz BLKKPYQFZLBPKY-UHFFFAOYSA-N 1 0 294.355 -0.706 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CS(C)(=O)=O ZINC001496874780 920143895 /nfs/dbraw/zinc/14/38/95/920143895.db2.gz NFAUYHHTVGRZBK-MNOVXSKESA-N 1 0 272.370 -0.461 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CCCC1 ZINC001496930511 920154897 /nfs/dbraw/zinc/15/48/97/920154897.db2.gz AYENWPGOPMEFBC-YPMHNXCESA-N 1 0 297.399 -0.066 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496944220 920165886 /nfs/dbraw/zinc/16/58/86/920165886.db2.gz HXJLHITVPXIQHF-RYUDHWBXSA-N 1 0 272.345 -0.565 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC1CCC1 ZINC001496962256 920180168 /nfs/dbraw/zinc/18/01/68/920180168.db2.gz VIFQMQAORVCRFA-AAEUAGOBSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001496966704 920182736 /nfs/dbraw/zinc/18/27/36/920182736.db2.gz VVGOBDGIDNXKKQ-ZDUSSCGKSA-N 1 0 285.388 -0.649 20 30 CBEDRO CCC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496967823 920183127 /nfs/dbraw/zinc/18/31/27/920183127.db2.gz CHKSULSNELMXEB-NSHDSACASA-N 1 0 250.302 -0.023 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1CC(OCC)C1 ZINC001496975975 920187245 /nfs/dbraw/zinc/18/72/45/920187245.db2.gz KASJSXJPLRFQHU-CPCZMJQVSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1ccoc1 ZINC001496970848 920187518 /nfs/dbraw/zinc/18/75/18/920187518.db2.gz YRBAMLQVUIJCGP-LBPRGKRZSA-N 1 0 250.298 -0.088 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001496978680 920189432 /nfs/dbraw/zinc/18/94/32/920189432.db2.gz INAJUSYIIRIGRR-GFCCVEGCSA-N 1 0 291.355 -0.293 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001496978749 920191311 /nfs/dbraw/zinc/19/13/11/920191311.db2.gz JXHXERAGHADKDV-NSHDSACASA-N 1 0 279.344 -0.131 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=C)C ZINC001496999584 920201307 /nfs/dbraw/zinc/20/13/07/920201307.db2.gz VZLGXXNXDGPFSS-KBPBESRZSA-N 1 0 279.384 -0.273 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1(COC)CC1 ZINC001497017474 920207867 /nfs/dbraw/zinc/20/78/67/920207867.db2.gz JONPRIKSPYOCMX-LLVKDONJSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001497031982 920216181 /nfs/dbraw/zinc/21/61/81/920216181.db2.gz GLAWMZGEXBRHCS-JTQLQIEISA-N 1 0 280.328 -0.868 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001497038282 920220894 /nfs/dbraw/zinc/22/08/94/920220894.db2.gz RLPMMXVZVCMXTI-VXGBXAGGSA-N 1 0 281.356 -0.865 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001497039801 920223734 /nfs/dbraw/zinc/22/37/34/920223734.db2.gz ZBKHELSOIZVYLK-MROQNXINSA-N 1 0 295.383 -0.599 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001497047854 920226423 /nfs/dbraw/zinc/22/64/23/920226423.db2.gz AQHVHLTXZNGCAT-QWRGUYRKSA-N 1 0 291.355 -0.685 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001497048131 920228985 /nfs/dbraw/zinc/22/89/85/920228985.db2.gz PXJIREOOHYFXGT-SNVBAGLBSA-N 1 0 269.345 -0.715 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001497055339 920230395 /nfs/dbraw/zinc/23/03/95/920230395.db2.gz XUFGRLBUJNEFFI-NSHDSACASA-N 1 0 293.371 -0.263 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001497056405 920232161 /nfs/dbraw/zinc/23/21/61/920232161.db2.gz GYXDPSFFFBTRRG-NWDGAFQWSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001497063831 920237367 /nfs/dbraw/zinc/23/73/67/920237367.db2.gz KGNUKLXKLRFDEB-WDEREUQCSA-N 1 0 285.388 -0.210 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ncc2ccccc21 ZINC001497077655 920240562 /nfs/dbraw/zinc/24/05/62/920240562.db2.gz SPGFJJRKYXMOJD-ZDUSSCGKSA-N 1 0 286.335 -0.264 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1cnn(CC)c1 ZINC001497090557 920245794 /nfs/dbraw/zinc/24/57/94/920245794.db2.gz ITTNTONQZUYOGH-LBPRGKRZSA-N 1 0 264.329 -0.855 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001497109024 920249449 /nfs/dbraw/zinc/24/94/49/920249449.db2.gz DCYVYNCKJSJVOU-QWHCGFSZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)OC ZINC001497117951 920254190 /nfs/dbraw/zinc/25/41/90/920254190.db2.gz LKJVDUWROSWWKH-CABCVRRESA-N 1 0 290.363 -0.056 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001497119238 920254513 /nfs/dbraw/zinc/25/45/13/920254513.db2.gz RMCXBYWONTVBTE-NSHDSACASA-N 1 0 296.371 -0.630 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)OC ZINC001497117954 920254554 /nfs/dbraw/zinc/25/45/54/920254554.db2.gz LKJVDUWROSWWKH-GJZGRUSLSA-N 1 0 290.363 -0.056 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cn1c(C)c(C)sc1=O ZINC001497119081 920254609 /nfs/dbraw/zinc/25/46/09/920254609.db2.gz QDBCUTFXPLLBON-NSHDSACASA-N 1 0 299.396 -0.221 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001497126063 920257039 /nfs/dbraw/zinc/25/70/39/920257039.db2.gz KXJAXNHUEAKNCD-GWCFXTLKSA-N 1 0 292.383 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001497125981 920258201 /nfs/dbraw/zinc/25/82/01/920258201.db2.gz DJMBBOTXQRNREL-KGLIPLIRSA-N 1 0 288.347 -0.002 20 30 CBEDRO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CC#Cc1ccccc1 ZINC001497120103 920258430 /nfs/dbraw/zinc/25/84/30/920258430.db2.gz XZZHIWVMMMJXAV-HIFRSBDPSA-N 1 0 290.363 -0.124 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C(=O)C(C)(C)C ZINC001497155283 920264654 /nfs/dbraw/zinc/26/46/54/920264654.db2.gz VVCSPVGIWXPVGY-JTQLQIEISA-N 1 0 296.371 -0.274 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001497270330 920276289 /nfs/dbraw/zinc/27/62/89/920276289.db2.gz ASSCRELHIDGSHS-MFKMUULPSA-N 1 0 251.330 -0.370 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001497259429 920277824 /nfs/dbraw/zinc/27/78/24/920277824.db2.gz HSAHXMXUJLLSIQ-JTQLQIEISA-N 1 0 251.330 -0.240 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN(C)S(=O)(=O)CC ZINC001497298307 920279758 /nfs/dbraw/zinc/27/97/58/920279758.db2.gz CRKXVRYRCPKVHQ-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001497304049 920280194 /nfs/dbraw/zinc/28/01/94/920280194.db2.gz MAQQAEWHNOXEKD-NSHDSACASA-N 1 0 294.355 -0.612 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001497304047 920281247 /nfs/dbraw/zinc/28/12/47/920281247.db2.gz MAQQAEWHNOXEKD-LLVKDONJSA-N 1 0 294.355 -0.612 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)cn1 ZINC001497306908 920281662 /nfs/dbraw/zinc/28/16/62/920281662.db2.gz CCMGMHHSCZNFSG-JTQLQIEISA-N 1 0 274.324 -0.354 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001497319128 920282277 /nfs/dbraw/zinc/28/22/77/920282277.db2.gz NRLHLNFTHNWLSB-VIFPVBQESA-N 1 0 275.312 -0.693 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)CS(=O)(=O)CC ZINC001497333042 920285696 /nfs/dbraw/zinc/28/56/96/920285696.db2.gz RDWBFYCTUMRDKF-LLVKDONJSA-N 1 0 274.386 -0.071 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C1=COCCO1 ZINC001497351634 920290645 /nfs/dbraw/zinc/29/06/45/920290645.db2.gz FBYFQDMMZPZCPG-UHFFFAOYSA-N 1 0 282.340 -0.038 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N ZINC001497361249 920291837 /nfs/dbraw/zinc/29/18/37/920291837.db2.gz AYHZTXKLDORPCK-NWDGAFQWSA-N 1 0 278.356 -0.278 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)CS(C)(=O)=O ZINC001497361192 920295340 /nfs/dbraw/zinc/29/53/40/920295340.db2.gz PAFQPFFNEFBMDJ-UHFFFAOYSA-N 1 0 290.385 -0.881 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H](C)C#N ZINC001497361304 920295714 /nfs/dbraw/zinc/29/57/14/920295714.db2.gz BQRXRUKEMVHKJP-SECBINFHSA-N 1 0 283.332 -0.960 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@H](C)S(C)(=O)=O ZINC001497419138 920305030 /nfs/dbraw/zinc/30/50/30/920305030.db2.gz UTEBSCVWPHJGFG-JTQLQIEISA-N 1 0 260.359 -0.509 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CN1C(=O)CN(C)C1=O ZINC001497494678 920310157 /nfs/dbraw/zinc/31/01/57/920310157.db2.gz XHNSIMSKHCTXSR-UHFFFAOYSA-N 1 0 282.344 -0.496 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CN1CCCC1=O ZINC001497528720 920321483 /nfs/dbraw/zinc/32/14/83/920321483.db2.gz VNEUIRSGQGSZBV-PLNGDYQASA-N 1 0 263.341 -0.106 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)CN1CCCC1=O ZINC001497528722 920322355 /nfs/dbraw/zinc/32/23/55/920322355.db2.gz VNEUIRSGQGSZBV-SNAWJCMRSA-N 1 0 263.341 -0.106 20 30 CBEDRO CCC(=O)NCC(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001497549270 920330531 /nfs/dbraw/zinc/33/05/31/920330531.db2.gz OFOJSVMWUXRRMY-SNAWJCMRSA-N 1 0 281.356 -0.576 20 30 CBEDRO CNC(=O)C[NH2+]C/C=C/CNC(=O)c1ccc(C#N)[nH]1 ZINC001497564013 920332936 /nfs/dbraw/zinc/33/29/36/920332936.db2.gz VZRGCNJMKSHEIU-NSCUHMNNSA-N 1 0 275.312 -0.492 20 30 CBEDRO C[C@@H](C#N)C(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001497549841 920334596 /nfs/dbraw/zinc/33/45/96/920334596.db2.gz VCBWDMNKYYNZPY-QUCGXOGASA-N 1 0 264.329 -0.360 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C#CC1CC1 ZINC001497583482 920345007 /nfs/dbraw/zinc/34/50/07/920345007.db2.gz MWJRGXILCBMNAS-NSCUHMNNSA-N 1 0 292.339 -0.883 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)c1cn(C)nn1 ZINC001497576703 920346455 /nfs/dbraw/zinc/34/64/55/920346455.db2.gz UDEYUNNHKDXJCW-ONEGZZNKSA-N 1 0 277.328 -0.660 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)CO[C@@H]1CCOC1 ZINC001497577851 920346527 /nfs/dbraw/zinc/34/65/27/920346527.db2.gz DVOVILDTLDDORY-VSQXVHSFSA-N 1 0 252.314 -0.313 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccc2nnnn2c1 ZINC001497631622 920359841 /nfs/dbraw/zinc/35/98/41/920359841.db2.gz DXWFYIUDGSJQPO-ONEGZZNKSA-N 1 0 270.296 -0.367 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)CCCS(N)(=O)=O ZINC001497669817 920367999 /nfs/dbraw/zinc/36/79/99/920367999.db2.gz PLYHTXPGUADXQL-SNAWJCMRSA-N 1 0 287.385 -0.660 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001497698343 920369895 /nfs/dbraw/zinc/36/98/95/920369895.db2.gz RNYQWNUWUYVWDB-JXSWWZISSA-N 1 0 281.356 -0.285 20 30 CBEDRO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@@H](C)C#N ZINC001497797750 920388740 /nfs/dbraw/zinc/38/87/40/920388740.db2.gz JNDDAVJGRGLXPR-TUAOUCFPSA-N 1 0 296.371 -0.776 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)COC(C)C ZINC001497795364 920389198 /nfs/dbraw/zinc/38/91/98/920389198.db2.gz XCDZQJDMOKKQDX-VXGBXAGGSA-N 1 0 283.372 -0.356 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC(F)(F)F ZINC001497794813 920391207 /nfs/dbraw/zinc/39/12/07/920391207.db2.gz MZBIHQXTLNJQRE-MRVPVSSYSA-N 1 0 279.262 -0.218 20 30 CBEDRO C[C@H](C[NH2+]CCn1cncn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001497806855 920392705 /nfs/dbraw/zinc/39/27/05/920392705.db2.gz LNPXVNSTZWUVOS-SNVBAGLBSA-N 1 0 287.327 -0.114 20 30 CBEDRO C/C=C(/C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497803077 920395323 /nfs/dbraw/zinc/39/53/23/920395323.db2.gz YBXVJMLSQFLKEH-ZUYFITGHSA-N 1 0 252.318 -0.313 20 30 CBEDRO C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1ncnn1 ZINC001497816818 920402587 /nfs/dbraw/zinc/40/25/87/920402587.db2.gz DGKUJYOJNGNOAF-LLVKDONJSA-N 1 0 299.338 -0.161 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001497827109 920402714 /nfs/dbraw/zinc/40/27/14/920402714.db2.gz GFPRVNAQBBOCPP-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001497895660 920418146 /nfs/dbraw/zinc/41/81/46/920418146.db2.gz ZATJGQJHSKTDLS-SNVBAGLBSA-N 1 0 278.312 -0.872 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001497885579 920419094 /nfs/dbraw/zinc/41/90/94/920419094.db2.gz STYAJGDMDHEDMH-VXGBXAGGSA-N 1 0 281.356 -0.649 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001497911606 920422586 /nfs/dbraw/zinc/42/25/86/920422586.db2.gz YWESZMTVJPKXCQ-UPJWGTAASA-N 1 0 295.383 -0.368 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001497955934 920428291 /nfs/dbraw/zinc/42/82/91/920428291.db2.gz GDYBVGNTLCMCMZ-LLVKDONJSA-N 1 0 293.371 -0.339 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1nocc1C ZINC001497956303 920428806 /nfs/dbraw/zinc/42/88/06/920428806.db2.gz RQLXSLPSNZPRMC-MNOVXSKESA-N 1 0 292.339 -0.171 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001497977377 920432954 /nfs/dbraw/zinc/43/29/54/920432954.db2.gz PACGEESTSCACMU-SECBINFHSA-N 1 0 250.302 -0.326 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001497991356 920433498 /nfs/dbraw/zinc/43/34/98/920433498.db2.gz ZIABZUICVDDDHZ-NEPJUHHUSA-N 1 0 275.356 -0.042 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001497975894 920433924 /nfs/dbraw/zinc/43/39/24/920433924.db2.gz SFDNSFIGPJDLAC-SNVBAGLBSA-N 1 0 277.390 -0.452 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001497998658 920437036 /nfs/dbraw/zinc/43/70/36/920437036.db2.gz MSJDWRRNWQSORO-ZJUUUORDSA-N 1 0 252.318 -0.743 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCOC ZINC001498002594 920439502 /nfs/dbraw/zinc/43/95/02/920439502.db2.gz OYAIVLQMBDCCPD-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001498016657 920446622 /nfs/dbraw/zinc/44/66/22/920446622.db2.gz XFNCAFMTRYSZQF-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO Cc1ncc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)s1 ZINC001498020261 920446935 /nfs/dbraw/zinc/44/69/35/920446935.db2.gz VBXDBKPSKVLPRT-QMMMGPOBSA-N 1 0 295.368 -0.201 20 30 CBEDRO Cc1cc(CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)no1 ZINC001498023402 920447753 /nfs/dbraw/zinc/44/77/53/920447753.db2.gz KBCCSPYTTMTCJX-VIFPVBQESA-N 1 0 293.327 -0.740 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001498032878 920449709 /nfs/dbraw/zinc/44/97/09/920449709.db2.gz POAWEAYBCAYDTD-WDEREUQCSA-N 1 0 265.357 -0.124 20 30 CBEDRO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001498033254 920454028 /nfs/dbraw/zinc/45/40/28/920454028.db2.gz LSGXPRGEHGDMGT-JGVFFNPUSA-N 1 0 263.301 -0.532 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C#CC1CC1 ZINC001498039968 920457601 /nfs/dbraw/zinc/45/76/01/920457601.db2.gz AXUWSTZQWQBNQT-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001498106567 920482686 /nfs/dbraw/zinc/48/26/86/920482686.db2.gz OLTQCCPKIORXKF-FZMZJTMJSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC ZINC001498114582 920486266 /nfs/dbraw/zinc/48/62/66/920486266.db2.gz 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280.332 -0.748 20 30 CBEDRO COC(=O)c1cn(CC[NH+]=C(N(C)C)N(C)C)nn1 ZINC000261718455 220243687 /nfs/dbraw/zinc/24/36/87/220243687.db2.gz FNBHKARPHUHRRT-UHFFFAOYSA-N 1 0 268.321 -0.456 20 30 CBEDRO CNC(=O)CC1CCN(C(NCC(=O)N(C)C)=[NH+]C)CC1 ZINC000261782727 220243999 /nfs/dbraw/zinc/24/39/99/220243999.db2.gz PMWMMGGBMLKFEZ-UHFFFAOYSA-N 1 0 297.403 -0.502 20 30 CBEDRO [NH2+]=C(NCCC(=O)N1CCOCC1)NC[C@H]1CCCO1 ZINC000261724007 220244220 /nfs/dbraw/zinc/24/42/20/220244220.db2.gz GIQPREMLDGIUTQ-LLVKDONJSA-N 1 0 284.360 -0.681 20 30 CBEDRO COC(=O)c1cn(CCNC(=[NH2+])N2CCSCC2)nn1 ZINC000261685941 220244260 /nfs/dbraw/zinc/24/42/60/220244260.db2.gz APCLYYRTBARCDJ-UHFFFAOYSA-N 1 0 298.372 -0.572 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261636991 220244402 /nfs/dbraw/zinc/24/44/02/220244402.db2.gz WOJHIRNBDUHQNR-QWRGUYRKSA-N 1 0 266.345 -0.318 20 30 CBEDRO NS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CC2)s1 ZINC000261699365 220244542 /nfs/dbraw/zinc/24/45/42/220244542.db2.gz CEDGJSNKKNSBOA-UHFFFAOYSA-N 1 0 274.371 -0.038 20 30 CBEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)NC[C@@H]1CCCS1 ZINC000261964965 220246477 /nfs/dbraw/zinc/24/64/77/220246477.db2.gz LDSHTFDQGARYOD-VIFPVBQESA-N 1 0 299.400 -0.401 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@]2(CCOC2)C1 ZINC000261965309 220245361 /nfs/dbraw/zinc/24/53/61/220245361.db2.gz LILXRCQDHHDMAN-LBPRGKRZSA-N 1 0 289.401 -0.281 20 30 CBEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528735828 373981088 /nfs/dbraw/zinc/98/10/88/373981088.db2.gz VVOFYONJMJETOL-CQSZACIVSA-N 1 0 297.399 -0.016 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@@]2(CCOC2)C1 ZINC000261965307 220246134 /nfs/dbraw/zinc/24/61/34/220246134.db2.gz LILXRCQDHHDMAN-GFCCVEGCSA-N 1 0 289.401 -0.281 20 30 CBEDRO C[NH+]=C(NCc1cnn(C)c1)N1CCO[C@@H](COC)C1 ZINC000261954042 220246141 /nfs/dbraw/zinc/24/61/41/220246141.db2.gz OJLIGRAXSUXCQP-GFCCVEGCSA-N 1 0 281.360 -0.157 20 30 CBEDRO [NH2+]=C(NCCN1CCCS1(=O)=O)Nc1ccccn1 ZINC000261973095 220246240 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220248560 /nfs/dbraw/zinc/24/85/60/220248560.db2.gz OEEDXRLMUHRNJE-SNVBAGLBSA-N 1 0 274.390 -0.133 20 30 CBEDRO C=CC[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262262846 220249321 /nfs/dbraw/zinc/24/93/21/220249321.db2.gz FDTWZFOCBOLKBK-NSHDSACASA-N 1 0 295.387 -0.583 20 30 CBEDRO C=CC[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262262844 220249439 /nfs/dbraw/zinc/24/94/39/220249439.db2.gz FDTWZFOCBOLKBK-LLVKDONJSA-N 1 0 295.387 -0.583 20 30 CBEDRO CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262370981 220249760 /nfs/dbraw/zinc/24/97/60/220249760.db2.gz LPCIPAUTSZRDKN-UHFFFAOYSA-N 1 0 286.313 -0.097 20 30 CBEDRO C#CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1 ZINC000262366561 220249861 /nfs/dbraw/zinc/24/98/61/220249861.db2.gz HVCIWUMGYYJFLB-SNVBAGLBSA-N 1 0 269.370 -0.248 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)NCC2CC2)CCO1 ZINC000262430920 220250755 /nfs/dbraw/zinc/25/07/55/220250755.db2.gz DXHJHYJMSOYXRF-SECBINFHSA-N 1 0 254.334 -0.452 20 30 CBEDRO C[C@H]1C[NH+]=C(NCc2ccc(S(N)(=O)=O)s2)N1 ZINC000262474336 220250783 /nfs/dbraw/zinc/25/07/83/220250783.db2.gz BSILJVHIMMVUAF-LURJTMIESA-N 1 0 274.371 -0.167 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCCS(=O)(=O)CC2CC2)CCO1 ZINC000262424694 220251318 /nfs/dbraw/zinc/25/13/18/220251318.db2.gz CFDMGQBTUQTZNI-JTQLQIEISA-N 1 0 289.401 -0.153 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000262471347 220251498 /nfs/dbraw/zinc/25/14/98/220251498.db2.gz OXKIMJYMCRAZDK-BBBLOLIVSA-N 1 0 270.333 -0.945 20 30 CBEDRO CCS(=O)(=O)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262436298 220251502 /nfs/dbraw/zinc/25/15/02/220251502.db2.gz GISHNGKXRDXJMI-VIFPVBQESA-N 1 0 263.363 -0.544 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCCN2CCCOCC2)CCO1 ZINC000262447630 220251883 /nfs/dbraw/zinc/25/18/83/220251883.db2.gz JDDHKTAURMNBPK-GFCCVEGCSA-N 1 0 270.377 -0.256 20 30 CBEDRO CC[C@@H](C)NC(=[NH2+])NCC1CN(S(C)(=O)=O)C1 ZINC000262462654 220251976 /nfs/dbraw/zinc/25/19/76/220251976.db2.gz 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C=CCCOCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645133283 374645061 /nfs/dbraw/zinc/64/50/61/374645061.db2.gz OKLHAPMRZOHYGS-UHFFFAOYSA-N 1 0 269.345 -0.531 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000645281452 374656933 /nfs/dbraw/zinc/65/69/33/374656933.db2.gz VXYGLDIAGFGHTR-QWHCGFSZSA-N 1 0 282.388 -0.694 20 30 CBEDRO CC#CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645296045 374658259 /nfs/dbraw/zinc/65/82/59/374658259.db2.gz CGRWVWUNXPYLEU-LLVKDONJSA-N 1 0 266.345 -0.229 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000645308204 374660637 /nfs/dbraw/zinc/66/06/37/374660637.db2.gz OXADJMDJZADWJM-QWHCGFSZSA-N 1 0 283.372 -0.219 20 30 CBEDRO C=CCCS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645835050 374703421 /nfs/dbraw/zinc/70/34/21/374703421.db2.gz FRSIDMTXRKJKOM-LLVKDONJSA-N 1 0 289.401 -0.056 20 30 CBEDRO C=CCN1CC[C@@H](N2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)C1=O ZINC000646088446 374740791 /nfs/dbraw/zinc/74/07/91/374740791.db2.gz JNIMDDBQDKRBEF-QMTHXVAHSA-N 1 0 292.339 -0.553 20 30 CBEDRO C=C[C@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000646618659 374795661 /nfs/dbraw/zinc/79/56/61/374795661.db2.gz BIBHDUBRFBQPSO-ZDUSSCGKSA-N 1 0 290.367 -0.004 20 30 CBEDRO C=C[C@H](O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000646770298 374810760 /nfs/dbraw/zinc/81/07/60/374810760.db2.gz KZIGWZHNRUNOKF-ZDUSSCGKSA-N 1 0 290.367 -0.004 20 30 CBEDRO C=C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000646898280 374834203 /nfs/dbraw/zinc/83/42/03/374834203.db2.gz OPQCZXZGWPNEGB-RYUDHWBXSA-N 1 0 254.330 -0.286 20 30 CBEDRO C=C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000646898279 374834567 /nfs/dbraw/zinc/83/45/67/374834567.db2.gz OPQCZXZGWPNEGB-NWDGAFQWSA-N 1 0 254.330 -0.286 20 30 CBEDRO C=C[C@@H](O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000646901215 374835951 /nfs/dbraw/zinc/83/59/51/374835951.db2.gz YGWGXHVLUZGMTO-QWHCGFSZSA-N 1 0 269.389 -0.077 20 30 CBEDRO C=C[C@H](O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000646901216 374836102 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/nfs/dbraw/zinc/22/39/37/332223937.db2.gz AFLHLHCJVBJAPT-QWHCGFSZSA-N 1 0 256.346 -0.741 20 30 CBEDRO C#C[C@H]1COCCN1C[C@@H](O)C[N@@H+](C)CCOC ZINC000491502936 332224064 /nfs/dbraw/zinc/22/40/64/332224064.db2.gz AFLHLHCJVBJAPT-STQMWFEESA-N 1 0 256.346 -0.741 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1COC[C@H]1OC ZINC000491504217 332224348 /nfs/dbraw/zinc/22/43/48/332224348.db2.gz GUDYZMREWQRVHO-VXGBXAGGSA-N 1 0 269.345 -0.346 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000491506971 332225391 /nfs/dbraw/zinc/22/53/91/332225391.db2.gz SBDOEFOVTXNZPJ-UHFFFAOYSA-N 1 0 275.352 -0.318 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000491513471 332226356 /nfs/dbraw/zinc/22/63/56/332226356.db2.gz CBMBUBBGWRMKRX-NWDGAFQWSA-N 1 0 279.340 -0.943 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000491513748 332226378 /nfs/dbraw/zinc/22/63/78/332226378.db2.gz DTPYUDVHGKYOOF-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)CC1 ZINC000491513971 332226495 /nfs/dbraw/zinc/22/64/95/332226495.db2.gz FOQBLAQJVCKIJK-LSDHHAIUSA-N 1 0 293.411 -0.143 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000491514065 332226527 /nfs/dbraw/zinc/22/65/27/332226527.db2.gz GJOYWPPNLLHHSN-UPJWGTAASA-N 1 0 293.367 -0.519 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](COC)C(N)=O)CC1 ZINC000491515894 332227363 /nfs/dbraw/zinc/22/73/63/332227363.db2.gz PXMBWHOWMOZQCK-LBPRGKRZSA-N 1 0 281.356 -0.710 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+](C[C@H](O)CCC)CC1 ZINC000491523896 332229286 /nfs/dbraw/zinc/22/92/86/332229286.db2.gz HWXHKGMYHMCGBF-CYBMUJFWSA-N 1 0 267.373 -0.486 20 30 CBEDRO C#C[C@H](C)[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000491537571 332232748 /nfs/dbraw/zinc/23/27/48/332232748.db2.gz RZCKMRGZWMRZCX-JTQLQIEISA-N 1 0 289.339 -0.613 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000491554113 332236528 /nfs/dbraw/zinc/23/65/28/332236528.db2.gz 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/nfs/dbraw/zinc/25/23/96/332252396.db2.gz MCOGQWJJVIQRKS-CYBMUJFWSA-N 1 0 278.356 -0.700 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CN1CCCC1 ZINC000491630126 332252898 /nfs/dbraw/zinc/25/28/98/332252898.db2.gz XCWARCKJJIDNGW-LBPRGKRZSA-N 1 0 253.346 -0.828 20 30 CBEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000491639181 332259278 /nfs/dbraw/zinc/25/92/78/332259278.db2.gz YKSNGFZUQJTHOW-WDEREUQCSA-N 1 0 280.280 -0.082 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000491652695 332265590 /nfs/dbraw/zinc/26/55/90/332265590.db2.gz BKGBBXHAVIOJLM-CHWSQXEVSA-N 1 0 281.356 -0.249 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491654123 332266448 /nfs/dbraw/zinc/26/64/48/332266448.db2.gz PBUJRMJYODGIRY-LBPRGKRZSA-N 1 0 252.362 -0.022 20 30 CBEDRO C#CCNC(=O)C1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000491657827 332268940 /nfs/dbraw/zinc/26/89/40/332268940.db2.gz KUOZNTMJYJJLHO-OAHLLOKOSA-N 1 0 293.411 -0.097 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000491664970 332273797 /nfs/dbraw/zinc/27/37/97/332273797.db2.gz FXRBJFTZBVNPMS-GFCCVEGCSA-N 1 0 269.345 -0.392 20 30 CBEDRO C#CCNC(=O)CN1CCN(CC[NH+]2CCCCC2)CC1 ZINC000491667970 332275880 /nfs/dbraw/zinc/27/58/80/332275880.db2.gz NQKDVXIHPGRHRL-UHFFFAOYSA-N 1 0 292.427 -0.161 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000491668979 332276557 /nfs/dbraw/zinc/27/65/57/332276557.db2.gz WXEFLPHKPKDQTQ-GDBMZVCRSA-N 1 0 293.411 -0.096 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+](CCCOCC=C)CC1 ZINC000491669282 332276881 /nfs/dbraw/zinc/27/68/81/332276881.db2.gz XJLQCMBHVLHVRN-UHFFFAOYSA-N 1 0 279.384 -0.054 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)CNS(C)(=O)=O ZINC000491670213 332277465 /nfs/dbraw/zinc/27/74/65/332277465.db2.gz LUTDXHBLFFEBBF-JTQLQIEISA-N 1 0 275.374 -0.957 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000491675476 332281042 /nfs/dbraw/zinc/28/10/42/332281042.db2.gz UDXNBHCYEYYHPS-WDEREUQCSA-N 1 0 251.330 -0.431 20 30 CBEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCn1ncn(C)c1=O ZINC000491691448 332288096 /nfs/dbraw/zinc/28/80/96/332288096.db2.gz OWJQHPXASGVCLK-LBPRGKRZSA-N 1 0 292.339 -0.387 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000491704469 332297845 /nfs/dbraw/zinc/29/78/45/332297845.db2.gz BMTFGVBREJJCNN-UONOGXRCSA-N 1 0 279.384 -0.222 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000491711845 332303412 /nfs/dbraw/zinc/30/34/12/332303412.db2.gz WVBYKBGGBXILDF-NSHDSACASA-N 1 0 287.385 -0.861 20 30 CBEDRO C#CCNC(=O)CN1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000491713397 332304359 /nfs/dbraw/zinc/30/43/59/332304359.db2.gz CEONYWSHPRLOOI-UHFFFAOYSA-N 1 0 294.399 -0.778 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000491716829 332306439 /nfs/dbraw/zinc/30/64/39/332306439.db2.gz OSEGMRJXNCHRJO-UHFFFAOYSA-N 1 0 265.273 -0.480 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2CC)CC1 ZINC000491717984 332307062 /nfs/dbraw/zinc/30/70/62/332307062.db2.gz SJORRLBULYLPTD-CABCVRRESA-N 1 0 293.411 -0.143 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)NCC[N@@H+](C)CCCOC ZINC000491718730 332307484 /nfs/dbraw/zinc/30/74/84/332307484.db2.gz VZZRQQJPPOXDOM-ZDUSSCGKSA-N 1 0 283.372 -0.002 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)OCCN2CCNC2=O)CC1 ZINC000491726123 332309890 /nfs/dbraw/zinc/30/98/90/332309890.db2.gz JMLXMHWXIMMVTM-UHFFFAOYSA-N 1 0 279.340 -0.100 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)C(=O)N1CCOCC1 ZINC000491731198 332312976 /nfs/dbraw/zinc/31/29/76/332312976.db2.gz KKQNHNFZRPXROB-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCCC(=O)NC1CC1 ZINC000491731298 332313064 /nfs/dbraw/zinc/31/30/64/332313064.db2.gz PZWQQHQEEJNIKP-UHFFFAOYSA-N 1 0 251.330 -0.226 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NCCCn1ccnn1 ZINC000491746274 332323872 /nfs/dbraw/zinc/32/38/72/332323872.db2.gz ZRABSDRRIAVRTH-UHFFFAOYSA-N 1 0 278.360 -0.078 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC000491770339 332337223 /nfs/dbraw/zinc/33/72/23/332337223.db2.gz MEKTYQNQQKKEGY-LBPRGKRZSA-N 1 0 253.346 -0.612 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000491777303 332342542 /nfs/dbraw/zinc/34/25/42/332342542.db2.gz WXKHGIGEIWVKBX-HUUCEWRRSA-N 1 0 293.411 -0.096 20 30 CBEDRO C#CCN(CC#CC)C(=O)NCCN1CC[NH2+]CC1 ZINC000491782243 332345985 /nfs/dbraw/zinc/34/59/85/332345985.db2.gz IARYONGXBFKVPJ-UHFFFAOYSA-N 1 0 262.357 -0.440 20 30 CBEDRO C#CCNC(=O)[C@@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000491782702 332346379 /nfs/dbraw/zinc/34/63/79/332346379.db2.gz PJQKFAWFIBKSAV-CYBMUJFWSA-N 1 0 293.411 -0.049 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC000491786365 332349080 /nfs/dbraw/zinc/34/90/80/332349080.db2.gz OOOOCRJCSZXFEV-CYBMUJFWSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000491786740 332349356 /nfs/dbraw/zinc/34/93/56/332349356.db2.gz UZPARKPVFIACDG-NSHDSACASA-N 1 0 284.381 -0.036 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)CC1 ZINC000491787333 332349842 /nfs/dbraw/zinc/34/98/42/332349842.db2.gz WHGKFOISXLJMQD-HIFRSBDPSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CCNC(=O)CC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000491789456 332351540 /nfs/dbraw/zinc/35/15/40/332351540.db2.gz UWCNNJJALDCWKQ-ZDUSSCGKSA-N 1 0 282.340 -0.628 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)C1(C(N)=O)CCC1 ZINC000491795898 332354866 /nfs/dbraw/zinc/35/48/66/332354866.db2.gz XYRQXTMGYPZMBY-UHFFFAOYSA-N 1 0 251.330 -0.287 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000491801624 332355617 /nfs/dbraw/zinc/35/56/17/332355617.db2.gz DESHGEVKTBSRFW-QJPTWQEYSA-N 1 0 254.330 -0.092 20 30 CBEDRO C#C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)C ZINC000491801380 332355747 /nfs/dbraw/zinc/35/57/47/332355747.db2.gz CIGLUIXITPXJMA-SRVKXCTJSA-N 1 0 278.356 -0.402 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000491801568 332355811 /nfs/dbraw/zinc/35/58/11/332355811.db2.gz CXOQUWGRRGBIKT-HUUCEWRRSA-N 1 0 293.411 -0.286 20 30 CBEDRO 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C=CC[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032179827 799589564 /nfs/dbraw/zinc/58/95/64/799589564.db2.gz FRWJMFXVHSCUEB-UHFFFAOYSA-N 1 0 278.312 -0.667 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001032196659 799591837 /nfs/dbraw/zinc/59/18/37/799591837.db2.gz VXZCLWXTJRYCSR-CQSZACIVSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001032192659 799592484 /nfs/dbraw/zinc/59/24/84/799592484.db2.gz PZNIAZNKXGADNA-UHFFFAOYSA-N 1 0 286.335 -0.135 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001032196858 799592524 /nfs/dbraw/zinc/59/25/24/799592524.db2.gz ZQHUWNWEHAFOKK-CQSZACIVSA-N 1 0 293.367 -0.695 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001032222058 799595891 /nfs/dbraw/zinc/59/58/91/799595891.db2.gz FAKFKIQRYDAJDD-UHFFFAOYSA-N 1 0 286.335 -0.135 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001032331985 799614885 /nfs/dbraw/zinc/61/48/85/799614885.db2.gz 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C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001032827162 799674701 /nfs/dbraw/zinc/67/47/01/799674701.db2.gz NQGNVQGTBFWEPG-IHRRRGAJSA-N 1 0 279.384 -0.345 20 30 CBEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032894343 799685434 /nfs/dbraw/zinc/68/54/34/799685434.db2.gz WHMDMAVOSIZQMS-LLVKDONJSA-N 1 0 264.333 -0.218 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCO2)C1 ZINC001032923088 799688276 /nfs/dbraw/zinc/68/82/76/799688276.db2.gz CFADTCQFTUFBDJ-QWHCGFSZSA-N 1 0 266.341 -0.042 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001032968077 799699792 /nfs/dbraw/zinc/69/97/92/799699792.db2.gz MYBXYKCWJZJOEL-VXGBXAGGSA-N 1 0 263.341 -0.179 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033016955 799702891 /nfs/dbraw/zinc/70/28/91/799702891.db2.gz QXUQYDXATKGYAC-CHWSQXEVSA-N 1 0 265.357 -0.517 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001033015399 799704111 /nfs/dbraw/zinc/70/41/11/799704111.db2.gz 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799710350 /nfs/dbraw/zinc/71/03/50/799710350.db2.gz OEPGLAJHSKQQCG-NXEZZACHSA-N 1 0 251.286 -0.739 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033063138 799712293 /nfs/dbraw/zinc/71/22/93/799712293.db2.gz STZGOXBHLHDVBQ-LLVKDONJSA-N 1 0 261.329 -0.015 20 30 CBEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033152404 799719781 /nfs/dbraw/zinc/71/97/81/799719781.db2.gz MHXVVGOYVDXOEF-ZDUSSCGKSA-N 1 0 293.367 -0.599 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCNC2=O)C1 ZINC001033138777 799720148 /nfs/dbraw/zinc/72/01/48/799720148.db2.gz BQNMEGPUJJFUGK-RYUDHWBXSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CN2CCCS2(=O)=O)C1 ZINC001033132619 799720241 /nfs/dbraw/zinc/72/02/41/799720241.db2.gz VOOMEWPJWVJAIY-LBPRGKRZSA-N 1 0 299.396 -0.812 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033138778 799720639 /nfs/dbraw/zinc/72/06/39/799720639.db2.gz BQNMEGPUJJFUGK-VXGBXAGGSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165238 799721766 /nfs/dbraw/zinc/72/17/66/799721766.db2.gz KJPFAWXHHNUZQV-LLVKDONJSA-N 1 0 260.297 -0.038 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165239 799722709 /nfs/dbraw/zinc/72/27/09/799722709.db2.gz KJPFAWXHHNUZQV-NSHDSACASA-N 1 0 260.297 -0.038 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033327880 799738511 /nfs/dbraw/zinc/73/85/11/799738511.db2.gz KQLPQNSUQHJFDL-VXGBXAGGSA-N 1 0 278.356 -0.434 20 30 CBEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033335670 799740470 /nfs/dbraw/zinc/74/04/70/799740470.db2.gz CSFDMXNUTSZFMI-WDEREUQCSA-N 1 0 266.345 -0.271 20 30 CBEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033337420 799740705 /nfs/dbraw/zinc/74/07/05/799740705.db2.gz KTWYKIWIUBUWCX-JTQLQIEISA-N 1 0 262.317 -0.620 20 30 CBEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033347184 799742392 /nfs/dbraw/zinc/74/23/92/799742392.db2.gz 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C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033463315 799757790 /nfs/dbraw/zinc/75/77/90/799757790.db2.gz LGDJINODCHOCNQ-ZJUUUORDSA-N 1 0 280.328 -0.697 20 30 CBEDRO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)nn1 ZINC001033489066 799758865 /nfs/dbraw/zinc/75/88/65/799758865.db2.gz BYWNBZTVFNWIEF-GFCCVEGCSA-N 1 0 293.371 -0.007 20 30 CBEDRO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](C)O)C2)nn1 ZINC001033483135 799759158 /nfs/dbraw/zinc/75/91/58/799759158.db2.gz FUBBOBXCTMJBRD-NWDGAFQWSA-N 1 0 293.371 -0.009 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033508420 799761709 /nfs/dbraw/zinc/76/17/09/799761709.db2.gz TVRJNCOMPMJOAB-SNVBAGLBSA-N 1 0 280.328 -0.743 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001033626017 799771843 /nfs/dbraw/zinc/77/18/43/799771843.db2.gz MRPIHKFHEVNPCE-LBPRGKRZSA-N 1 0 291.355 -0.944 20 30 CBEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033642618 799774317 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C#CC[NH2+][C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1C ZINC001054756406 802368904 /nfs/dbraw/zinc/36/89/04/802368904.db2.gz UBFANIBCOFIAAU-PWSUYJOCSA-N 1 0 274.324 -0.536 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001054756599 802369153 /nfs/dbraw/zinc/36/91/53/802369153.db2.gz ZLQMZHATFGCHHU-VXGBXAGGSA-N 1 0 281.356 -0.532 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1C ZINC001054820887 802372066 /nfs/dbraw/zinc/37/20/66/802372066.db2.gz VJBYMGHWKKWCCF-STQMWFEESA-N 1 0 294.399 -0.617 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054819699 802372278 /nfs/dbraw/zinc/37/22/78/802372278.db2.gz KVLIPFIVLXXJRX-GHMZBOCLSA-N 1 0 279.344 -0.796 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001054822866 802372324 /nfs/dbraw/zinc/37/23/24/802372324.db2.gz DIPQOKDRLIMRLX-NEPJUHHUSA-N 1 0 293.371 -0.406 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1C ZINC001054866544 802375016 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COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001118134424 812475280 /nfs/dbraw/zinc/47/52/80/812475280.db2.gz SPBWHKGSAZORPJ-NEPJUHHUSA-N 1 0 268.361 -0.156 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001118491047 812557962 /nfs/dbraw/zinc/55/79/62/812557962.db2.gz QOTYKPKVMRIRAS-NWDGAFQWSA-N 1 0 281.356 -0.663 20 30 CBEDRO C=CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H](C)COC ZINC001118902736 812657172 /nfs/dbraw/zinc/65/71/72/812657172.db2.gz NMZZVKRTEDTIDY-WDEREUQCSA-N 1 0 271.361 -0.159 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1CCCN(C(N)=O)CC1 ZINC001117704595 812433298 /nfs/dbraw/zinc/43/32/98/812433298.db2.gz HZTDENKNRCBTPP-UHFFFAOYSA-N 1 0 252.318 -0.788 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001117980473 812461679 /nfs/dbraw/zinc/46/16/79/812461679.db2.gz IUDUEAPNNUGABW-SDDRHHMPSA-N 1 0 279.340 -0.767 20 30 CBEDRO C=CCn1cc(CNC(=O)NC/C=C\C[NH3+])nn1 ZINC001118147962 812479412 /nfs/dbraw/zinc/47/94/12/812479412.db2.gz 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ZINC001133406908 814250115 /nfs/dbraw/zinc/25/01/15/814250115.db2.gz QDQBODYXQQXDQR-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COC ZINC001133414087 814250239 /nfs/dbraw/zinc/25/02/39/814250239.db2.gz GPTWCNXIOPZPMK-MNOVXSKESA-N 1 0 269.345 -0.745 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001134817235 814414616 /nfs/dbraw/zinc/41/46/16/814414616.db2.gz RLIHKPBOYSNMCM-ZYHUDNBSSA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC ZINC001133595917 814274663 /nfs/dbraw/zinc/27/46/63/814274663.db2.gz UCLPGKFOOUSREQ-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)N(C)C)c1 ZINC001133593227 814274991 /nfs/dbraw/zinc/27/49/91/814274991.db2.gz UOLNQJKADISGFW-UHFFFAOYSA-N 1 0 274.324 -0.530 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001134817310 814414622 /nfs/dbraw/zinc/41/46/22/814414622.db2.gz UBPRWZHLDSRVIY-NEPJUHHUSA-N 1 0 298.387 -0.573 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133843461 814305497 /nfs/dbraw/zinc/30/54/97/814305497.db2.gz CTWQHLGWAQNPBR-WDEREUQCSA-N 1 0 274.386 -0.073 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133988847 814332463 /nfs/dbraw/zinc/33/24/63/814332463.db2.gz JKAYMKZDRQTDKR-UHFFFAOYSA-N 1 0 277.328 -0.905 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134441223 814384307 /nfs/dbraw/zinc/38/43/07/814384307.db2.gz ZZNMOMKLDPHGCM-VHSXEESVSA-N 1 0 272.370 -0.463 20 30 CBEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134428749 814384425 /nfs/dbraw/zinc/38/44/25/814384425.db2.gz ZXEAQEFMPYBTRN-UHFFFAOYSA-N 1 0 291.417 -0.156 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CCC2 ZINC001134445314 814384466 /nfs/dbraw/zinc/38/44/66/814384466.db2.gz VUGYESANDNFDSY-LLVKDONJSA-N 1 0 263.341 -0.368 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134441218 814384723 /nfs/dbraw/zinc/38/47/23/814384723.db2.gz ZZNMOMKLDPHGCM-NXEZZACHSA-N 1 0 272.370 -0.463 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001146224572 814779745 /nfs/dbraw/zinc/77/97/45/814779745.db2.gz HHRDIDXVPXOYQR-VHSXEESVSA-N 1 0 280.328 -0.956 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)N(CC[NH3+])c1cccnc1 ZINC001144417188 814776097 /nfs/dbraw/zinc/77/60/97/814776097.db2.gz JNYHJNWLAKSWMY-NSHDSACASA-N 1 0 282.369 -0.192 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001144409710 814776137 /nfs/dbraw/zinc/77/61/37/814776137.db2.gz VCROWCGDDMURMD-NTZNESFSSA-N 1 0 285.413 -0.169 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)C(=O)NC)cn1 ZINC001148389783 814941108 /nfs/dbraw/zinc/94/11/08/814941108.db2.gz UTEAESKGJDPFFM-SNVBAGLBSA-N 1 0 274.324 -0.483 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COC)nc1 ZINC001148370222 814941537 /nfs/dbraw/zinc/94/15/37/814941537.db2.gz OCENLNWXBUQENL-GFCCVEGCSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)nc1 ZINC001148377531 814941842 /nfs/dbraw/zinc/94/18/42/814941842.db2.gz YWHAFUVVGLAJRN-ZDUSSCGKSA-N 1 0 286.335 -0.387 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H](CC)C(N)=O)nc1 ZINC001148376889 814941852 /nfs/dbraw/zinc/94/18/52/814941852.db2.gz OUDACNZUEXHRNL-LLVKDONJSA-N 1 0 274.324 -0.354 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cncc(F)c1 ZINC001321489044 803774746 /nfs/dbraw/zinc/77/47/46/803774746.db2.gz CDAUGFYJJXNLEG-SNVBAGLBSA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(F)cn1 ZINC001321501117 803775230 /nfs/dbraw/zinc/77/52/30/803775230.db2.gz LLTSNNRRGMYSAU-SNVBAGLBSA-N 1 0 292.314 -0.322 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001321500340 803775592 /nfs/dbraw/zinc/77/55/92/803775592.db2.gz RNBOZESDDNTKQJ-YPMHNXCESA-N 1 0 281.360 -0.301 20 30 CBEDRO CO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001321500102 803776045 /nfs/dbraw/zinc/77/60/45/803776045.db2.gz OVKDTNYHFCFJIZ-BXKDBHETSA-N 1 0 282.344 -0.855 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001321514594 803778558 /nfs/dbraw/zinc/77/85/58/803778558.db2.gz WVSCUNUZGVPJSF-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cncn1C ZINC001321577544 803787090 /nfs/dbraw/zinc/78/70/90/803787090.db2.gz JOFRKNLDAMZVSB-SNVBAGLBSA-N 1 0 279.344 -0.570 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(CCF)CC1 ZINC001321600410 803788816 /nfs/dbraw/zinc/78/88/16/803788816.db2.gz WMAYOSITBBANOZ-LLVKDONJSA-N 1 0 283.347 -0.030 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001321627206 803792568 /nfs/dbraw/zinc/79/25/68/803792568.db2.gz CUVVISPDOSPKEH-MNOVXSKESA-N 1 0 275.356 -0.353 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)c1 ZINC001321644786 803795443 /nfs/dbraw/zinc/79/54/43/803795443.db2.gz DHOILCMXDAEGOX-BXUZGUMPSA-N 1 0 291.351 -0.222 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccnnc1 ZINC001321655769 803797448 /nfs/dbraw/zinc/79/74/48/803797448.db2.gz 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C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001149100271 814969272 /nfs/dbraw/zinc/96/92/72/814969272.db2.gz WOJZGUREMMSBNB-YPMHNXCESA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001321889917 803833682 /nfs/dbraw/zinc/83/36/82/803833682.db2.gz YSXSZASJLRUILE-QWHCGFSZSA-N 1 0 293.367 -0.505 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC(OC)C1 ZINC001321885906 803834542 /nfs/dbraw/zinc/83/45/42/803834542.db2.gz HJMGELMWTFRRFH-UNXYVOJBSA-N 1 0 283.372 -0.192 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001321897323 803835707 /nfs/dbraw/zinc/83/57/07/803835707.db2.gz QPWBNXXPKMTYFN-WDEREUQCSA-N 1 0 290.385 -0.836 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)c1coc(S(N)(=O)=O)c1 ZINC001321896822 803835819 /nfs/dbraw/zinc/83/58/19/803835819.db2.gz OLSJXIJQYJVHHQ-VIFPVBQESA-N 1 0 299.352 -0.342 20 30 CBEDRO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001149100268 814969851 /nfs/dbraw/zinc/96/98/51/814969851.db2.gz WOJZGUREMMSBNB-AAEUAGOBSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(CCF)CC1 ZINC001321938183 803840953 /nfs/dbraw/zinc/84/09/53/803840953.db2.gz WMAYOSITBBANOZ-NSHDSACASA-N 1 0 283.347 -0.030 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001321938180 803841432 /nfs/dbraw/zinc/84/14/32/803841432.db2.gz WHMQJCXUZPAIOA-JQWIXIFHSA-N 1 0 264.329 -0.165 20 30 CBEDRO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001321974953 803846507 /nfs/dbraw/zinc/84/65/07/803846507.db2.gz JOYSJBVBANDRBP-LBPRGKRZSA-N 1 0 296.371 -0.415 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001321981014 803847856 /nfs/dbraw/zinc/84/78/56/803847856.db2.gz ITACSICZZJOBQX-SMDDNHRTSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001322003123 803850404 /nfs/dbraw/zinc/85/04/04/803850404.db2.gz RHWJQCXKZYPRMJ-IUCAKERBSA-N 1 0 263.363 -0.796 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH2+][C@H](CC)C(N)=O)nn1 ZINC001322013964 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CC#CC[NH2+]C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001322070308 803856454 /nfs/dbraw/zinc/85/64/54/803856454.db2.gz RJSOONPYFQPJJF-VIFPVBQESA-N 1 0 275.312 -0.693 20 30 CBEDRO C#Cc1ccccc1CC(=O)NCC[NH2+]CC(N)=O ZINC001149117496 814971675 /nfs/dbraw/zinc/97/16/75/814971675.db2.gz KJCPIBIENDZLKQ-UHFFFAOYSA-N 1 0 259.309 -0.599 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001322116775 803860579 /nfs/dbraw/zinc/86/05/79/803860579.db2.gz MYKMIBWOBPDULE-SNVBAGLBSA-N 1 0 251.330 -0.418 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCn1cncn1 ZINC001322129208 803862413 /nfs/dbraw/zinc/86/24/13/803862413.db2.gz GYXJMVDNKBNHJX-QWRGUYRKSA-N 1 0 264.333 -0.126 20 30 CBEDRO C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C#CC1CC1 ZINC001322157973 803867595 /nfs/dbraw/zinc/86/75/95/803867595.db2.gz RYYNNNKFUGXYCV-LBPRGKRZSA-N 1 0 292.383 -0.139 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)Cc1nnc(C)o1 ZINC001322149593 803867976 /nfs/dbraw/zinc/86/79/76/803867976.db2.gz UONGVHCFGGOKJE-VIFPVBQESA-N 1 0 250.302 -0.010 20 30 CBEDRO COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C#CC1CC1 ZINC001322157898 803868854 /nfs/dbraw/zinc/86/88/54/803868854.db2.gz RHRGQLOPIASVBG-DGCLKSJQSA-N 1 0 268.357 -0.156 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001322176024 803869767 /nfs/dbraw/zinc/86/97/67/803869767.db2.gz MZKCBRXDGVRKDS-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149135046 814972639 /nfs/dbraw/zinc/97/26/39/814972639.db2.gz NZQJUJUMNMMABZ-NSHDSACASA-N 1 0 293.371 -0.343 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001322177059 803870765 /nfs/dbraw/zinc/87/07/65/803870765.db2.gz RPADDZWTHZKTHK-GHMZBOCLSA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001322177606 803870861 /nfs/dbraw/zinc/87/08/61/803870861.db2.gz UGZFXCFGOTUJLZ-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001322195519 803871157 /nfs/dbraw/zinc/87/11/57/803871157.db2.gz HTXGOBLRUSPWNU-LLVKDONJSA-N 1 0 292.339 -0.591 20 30 CBEDRO CC[C@H](C(=O)N[C@@H](C)CN(C)CC(=O)NCC#N)[NH+](C)C ZINC001322181948 803871216 /nfs/dbraw/zinc/87/12/16/803871216.db2.gz BTGLQNXMZZYAAD-NWDGAFQWSA-N 1 0 297.403 -0.597 20 30 CBEDRO CC[C@@H](C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)[NH+](C)C ZINC001322243080 803878308 /nfs/dbraw/zinc/87/83/08/803878308.db2.gz BTGLQNXMZZYAAD-NEPJUHHUSA-N 1 0 297.403 -0.597 20 30 CBEDRO C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149137009 814973302 /nfs/dbraw/zinc/97/33/02/814973302.db2.gz MALDJBXRUFVCHX-LBPRGKRZSA-N 1 0 298.387 -0.172 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001322258006 803879859 /nfs/dbraw/zinc/87/98/59/803879859.db2.gz JJNFTSKTVIPQDI-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149138447 814973416 /nfs/dbraw/zinc/97/34/16/814973416.db2.gz VMSNEKAOMIACRZ-LLVKDONJSA-N 1 0 280.332 -0.934 20 30 CBEDRO 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ZINC001156055569 815334618 /nfs/dbraw/zinc/33/46/18/815334618.db2.gz QMUXFEJSYJHURO-UHFFFAOYSA-N 1 0 263.341 -0.202 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cc[nH]n1 ZINC001156069039 815336815 /nfs/dbraw/zinc/33/68/15/815336815.db2.gz LTFYBFOFCLVPGE-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO CN(c1ncnc2[nH]cc(C#N)c21)S(=O)(=O)CC[NH3+] ZINC001156231275 815346176 /nfs/dbraw/zinc/34/61/76/815346176.db2.gz CYGFXQDUYMBMKA-UHFFFAOYSA-N 1 0 280.313 -0.446 20 30 CBEDRO CN(c1ncc(Cl)nc1C#N)S(=O)(=O)CC[NH3+] ZINC001156231293 815346612 /nfs/dbraw/zinc/34/66/12/815346612.db2.gz DYUKFWJJDZCSNI-UHFFFAOYSA-N 1 0 275.721 -0.274 20 30 CBEDRO Cc1nc(C#N)cnc1N(C)S(=O)(=O)CC[NH3+] ZINC001156239169 815349039 /nfs/dbraw/zinc/34/90/39/815349039.db2.gz PVVXBMBJNCDGQR-UHFFFAOYSA-N 1 0 255.303 -0.619 20 30 CBEDRO COc1cc(C#N)nc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC001156236365 815349233 /nfs/dbraw/zinc/34/92/33/815349233.db2.gz HAOGKWZYFYVQPL-UHFFFAOYSA-N 1 0 270.314 -0.313 20 30 CBEDRO CN(c1ncc2c(C#N)c[nH]c2n1)S(=O)(=O)CC[NH3+] ZINC001156237879 815349710 /nfs/dbraw/zinc/34/97/10/815349710.db2.gz BPOUWUVPDPBNOB-UHFFFAOYSA-N 1 0 280.313 -0.446 20 30 CBEDRO CCc1nc(C#N)c(C#N)nc1N(C)S(=O)(=O)CC[NH3+] ZINC001156240114 815350538 /nfs/dbraw/zinc/35/05/38/815350538.db2.gz HHGDSBOHYHUKRG-UHFFFAOYSA-N 1 0 294.340 -0.493 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001156257898 815352502 /nfs/dbraw/zinc/35/25/02/815352502.db2.gz NSLPPISIARKNGV-IMRBUKKESA-N 1 0 277.368 -0.122 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C1CC(C)C1 ZINC001156406107 815357735 /nfs/dbraw/zinc/35/77/35/815357735.db2.gz PEKILBDPIBKIMJ-UHFFFAOYSA-N 1 0 265.357 -0.122 20 30 CBEDRO N#CCN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091692 810241384 /nfs/dbraw/zinc/24/13/84/810241384.db2.gz JMNZCLVSQOZYDW-XJFOESAGSA-N 1 0 292.383 -0.142 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccn3nnnc23)C1 ZINC001086095918 810241676 /nfs/dbraw/zinc/24/16/76/810241676.db2.gz 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C=C(Br)CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119368582 812770319 /nfs/dbraw/zinc/77/03/19/812770319.db2.gz KPUUUSGIVNIOQD-OCAPTIKFSA-N 1 0 290.161 -0.135 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001119407442 812776934 /nfs/dbraw/zinc/77/69/34/812776934.db2.gz LYJWHDOGVXITHV-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO N#C[C@H]1CN(C(=O)NC/C=C/C[NH3+])CCN1C1CC1 ZINC001119416105 812778681 /nfs/dbraw/zinc/77/86/81/812778681.db2.gz IDQZMNJNSHBNEG-ISUDXETCSA-N 1 0 263.345 -0.117 20 30 CBEDRO C#CCNC(=O)C1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119420073 812779058 /nfs/dbraw/zinc/77/90/58/812779058.db2.gz NXLOQIWHSFYXME-AULYBMBSSA-N 1 0 292.383 -0.105 20 30 CBEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001119544620 812804947 /nfs/dbraw/zinc/80/49/47/812804947.db2.gz DYQGUEHBPJLSNL-SNVBAGLBSA-N 1 0 252.318 -0.574 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccns1 ZINC001159113852 815559980 /nfs/dbraw/zinc/55/99/80/815559980.db2.gz RPZOAQLRTVNZCA-UHFFFAOYSA-N 1 0 281.341 -0.508 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)CN(C)C(=O)C(C)C ZINC001159161977 815560840 /nfs/dbraw/zinc/56/08/40/815560840.db2.gz MHELTIDJRWIFPL-UHFFFAOYSA-N 1 0 297.399 -0.154 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CCNS(C)(=O)=O ZINC001159178611 815560913 /nfs/dbraw/zinc/56/09/13/815560913.db2.gz KHHLWUCCIKESKR-UHFFFAOYSA-N 1 0 275.374 -0.955 20 30 CBEDRO C=C(C)[C@@H](CC(=O)NCCC[NH2+]CC(N)=O)OCC ZINC001159148832 815561165 /nfs/dbraw/zinc/56/11/65/815561165.db2.gz MSIUZLNLTFWDFP-LLVKDONJSA-N 1 0 271.361 -0.061 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)Cn2cc([C@H](C)O)nn2)CC1 ZINC001119715758 812875185 /nfs/dbraw/zinc/87/51/85/812875185.db2.gz ZDAMWZKZKHWUSJ-NSHDSACASA-N 1 0 291.355 -0.455 20 30 CBEDRO C=C(C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159020725 815556432 /nfs/dbraw/zinc/55/64/32/815556432.db2.gz FMGGGFLWZGVFIX-UHFFFAOYSA-N 1 0 284.360 -0.106 20 30 CBEDRO N#Cc1cnc(Cl)nc1NC[C@@H]1COCC[NH2+]1 ZINC001159042810 815556682 /nfs/dbraw/zinc/55/66/82/815556682.db2.gz LHJZPJVEFWZPOV-MRVPVSSYSA-N 1 0 253.693 -0.176 20 30 CBEDRO N#CCNC(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001119882851 812899778 /nfs/dbraw/zinc/89/97/78/812899778.db2.gz DPOWJPQREBSOAW-RYUDHWBXSA-N 1 0 266.345 -0.843 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CN(C)C(=O)COC ZINC001159223803 815563321 /nfs/dbraw/zinc/56/33/21/815563321.db2.gz KWLXXIILDJWDBF-UHFFFAOYSA-N 1 0 269.345 -0.790 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C ZINC001159230131 815564525 /nfs/dbraw/zinc/56/45/25/815564525.db2.gz KDYMJQJPSKMALA-RYUDHWBXSA-N 1 0 265.357 -0.122 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@H]1C[NH3+] ZINC001120376621 812955208 /nfs/dbraw/zinc/95/52/08/812955208.db2.gz LWMNKNDUPOWVBF-JTNHKYCSSA-N 1 0 294.355 -0.819 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001120418998 812962115 /nfs/dbraw/zinc/96/21/15/812962115.db2.gz OQKWHIRTTRRBHV-WDEREUQCSA-N 1 0 269.345 -0.451 20 30 CBEDRO N#C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC001120429298 812964330 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)OCC ZINC001124419999 813439333 /nfs/dbraw/zinc/43/93/33/813439333.db2.gz RECMPQSECSWQLK-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001124488303 813446136 /nfs/dbraw/zinc/44/61/36/813446136.db2.gz NTCOMTLSJVAEEZ-LLVKDONJSA-N 1 0 271.361 -0.238 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OCCC=C ZINC001124495006 813446173 /nfs/dbraw/zinc/44/61/73/813446173.db2.gz LXOHDBJRBOBOHW-OLZOCXBDSA-N 1 0 295.383 -0.189 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001124495112 813446277 /nfs/dbraw/zinc/44/62/77/813446277.db2.gz MSWKOQKTZZKQDB-WDEREUQCSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124515138 813451636 /nfs/dbraw/zinc/45/16/36/813451636.db2.gz WQTBDCOCVLKXBG-GHMZBOCLSA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)OC ZINC001124606933 813458702 /nfs/dbraw/zinc/45/87/02/813458702.db2.gz JRGBHUBGAZHRFT-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)OC ZINC001124606146 813459071 /nfs/dbraw/zinc/45/90/71/813459071.db2.gz CEZOQKNVNSGRET-WDEREUQCSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124655673 813462047 /nfs/dbraw/zinc/46/20/47/813462047.db2.gz GRBBNANMEXFXKV-LBPRGKRZSA-N 1 0 266.345 -0.084 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)CCOCC)C1=O ZINC001124696364 813469560 /nfs/dbraw/zinc/46/95/60/813469560.db2.gz IMMUKHHBXYLEMX-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCOC1 ZINC001124702942 813469592 /nfs/dbraw/zinc/46/95/92/813469592.db2.gz DBAANAXCRGCFAB-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cscn1 ZINC001124736515 813473774 /nfs/dbraw/zinc/47/37/74/813473774.db2.gz CEDVXTROZYOHFY-UHFFFAOYSA-N 1 0 267.314 -0.898 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001124767837 813477743 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ZINC001124888844 813496689 /nfs/dbraw/zinc/49/66/89/813496689.db2.gz MMQRQGSHNYKPLJ-VIFPVBQESA-N 1 0 263.301 -0.149 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001124888995 813497137 /nfs/dbraw/zinc/49/71/37/813497137.db2.gz NWQDDUQBKXDMHU-SECBINFHSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001124895301 813497946 /nfs/dbraw/zinc/49/79/46/813497946.db2.gz FQHYANHJQJLGQL-WDEREUQCSA-N 1 0 287.385 -0.323 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001124895189 813498225 /nfs/dbraw/zinc/49/82/25/813498225.db2.gz FHIILRKKGLMTAN-UWVGGRQHSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001124895193 813498359 /nfs/dbraw/zinc/49/83/59/813498359.db2.gz FHIILRKKGLMTAN-ZJUUUORDSA-N 1 0 252.318 -0.527 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)C#N)C1=O ZINC001124895904 813498481 /nfs/dbraw/zinc/49/84/81/813498481.db2.gz JMGRCMQUVFJLTN-MNOVXSKESA-N 1 0 264.329 -0.361 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)C(=O)Nc1ncccn1 ZINC001124895327 813498709 /nfs/dbraw/zinc/49/87/09/813498709.db2.gz GDSSIWMTFMQTKJ-UWVGGRQHSA-N 1 0 290.327 -0.331 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001124903472 813499948 /nfs/dbraw/zinc/49/99/48/813499948.db2.gz QQHQNMOHYKMESN-QWRGUYRKSA-N 1 0 282.344 -0.901 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001124903261 813500253 /nfs/dbraw/zinc/50/02/53/813500253.db2.gz PVKVSVAVIYHONV-SECBINFHSA-N 1 0 261.347 -0.713 20 30 CBEDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908185 813500384 /nfs/dbraw/zinc/50/03/84/813500384.db2.gz FSLRAICXYGLVMO-ZJUUUORDSA-N 1 0 297.359 -0.525 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908857 813501819 /nfs/dbraw/zinc/50/18/19/813501819.db2.gz TYZYADIFCHTOAT-VHSXEESVSA-N 1 0 295.343 -0.748 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(=O)C(C)(C)C ZINC001124977096 813507080 /nfs/dbraw/zinc/50/70/80/813507080.db2.gz QPIQCVJVKCMSEC-UHFFFAOYSA-N 1 0 254.330 -0.043 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC1CC1 ZINC001125019194 813510805 /nfs/dbraw/zinc/51/08/05/813510805.db2.gz CIAANYJWIACDBI-UHFFFAOYSA-N 1 0 296.371 -0.106 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCCCC ZINC001125071634 813513637 /nfs/dbraw/zinc/51/36/37/813513637.db2.gz AEACYTKOQUZTJB-GFCCVEGCSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccon1 ZINC001125098618 813519834 /nfs/dbraw/zinc/51/98/34/813519834.db2.gz JFJKKNHCLMJRBF-JTQLQIEISA-N 1 0 278.312 -0.939 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCOC1 ZINC001125129531 813525675 /nfs/dbraw/zinc/52/56/75/813525675.db2.gz VGJKYGBUQKVDLG-NEPJUHHUSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C1CC1 ZINC001125334098 813543724 /nfs/dbraw/zinc/54/37/24/813543724.db2.gz JDVJRZCUSJVAEW-SNVBAGLBSA-N 1 0 251.330 -0.512 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncc(C)c1 ZINC001125214134 813532705 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/nfs/dbraw/zinc/54/13/14/813541314.db2.gz MRNNSAGSPNYKBZ-JTQLQIEISA-N 1 0 257.334 -0.451 20 30 CBEDRO CS(=O)(=O)CCC[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125370870 813547205 /nfs/dbraw/zinc/54/72/05/813547205.db2.gz XWQPXZLMQNXNQK-UHFFFAOYSA-N 1 0 298.368 -0.360 20 30 CBEDRO CCCNC(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125360825 813547619 /nfs/dbraw/zinc/54/76/19/813547619.db2.gz LSWIFKKCOPLRLV-UHFFFAOYSA-N 1 0 277.328 -0.268 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001125390760 813547703 /nfs/dbraw/zinc/54/77/03/813547703.db2.gz AVHKACAHGHZTIE-VIFPVBQESA-N 1 0 289.295 -0.989 20 30 CBEDRO C[C@@H]([NH2+]CCNC(=O)c1cc(C#N)c[nH]1)C(=O)NC1CC1 ZINC001125369821 813547862 /nfs/dbraw/zinc/54/78/62/813547862.db2.gz BLKHAFDPYMRENJ-SECBINFHSA-N 1 0 289.339 -0.127 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+]CC(=O)NC2CC2)c1 ZINC001125391336 813547933 /nfs/dbraw/zinc/54/79/33/813547933.db2.gz ZOQSMWOGHNNOGZ-UHFFFAOYSA-N 1 0 275.312 -0.516 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncccc1C ZINC001125437538 813552062 /nfs/dbraw/zinc/55/20/62/813552062.db2.gz IUGBPAVHDMGONH-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c1C ZINC001125429881 813552748 /nfs/dbraw/zinc/55/27/48/813552748.db2.gz LRPNCZZMPZGBCZ-UHFFFAOYSA-N 1 0 264.329 -0.055 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1cc(C)[nH]n1 ZINC001125542608 813557594 /nfs/dbraw/zinc/55/75/94/813557594.db2.gz RGEUTZCVTWCXLZ-UHFFFAOYSA-N 1 0 279.344 -0.731 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc(C)[nH]n1 ZINC001125561891 813559452 /nfs/dbraw/zinc/55/94/52/813559452.db2.gz USQQDTVFZHAMMV-NSHDSACASA-N 1 0 291.355 -0.896 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc[nH]c(=O)c1 ZINC001125619640 813565204 /nfs/dbraw/zinc/56/52/04/813565204.db2.gz DRUOVCJSCUGISO-SNVBAGLBSA-N 1 0 292.339 -0.203 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C)cn1 ZINC001125671722 813570146 /nfs/dbraw/zinc/57/01/46/813570146.db2.gz WDMSFKJROUUQFE-UHFFFAOYSA-N 1 0 265.317 -0.958 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125695179 813574067 /nfs/dbraw/zinc/57/40/67/813574067.db2.gz JMXXNXQMBBFYTL-QWRGUYRKSA-N 1 0 297.355 -0.664 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)SC ZINC001125740123 813577731 /nfs/dbraw/zinc/57/77/31/813577731.db2.gz VOBOQIGVPREXAP-SNVBAGLBSA-N 1 0 271.386 -0.417 20 30 CBEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)n1cccc1 ZINC001125758543 813579373 /nfs/dbraw/zinc/57/93/73/813579373.db2.gz WVHBYABPMKFMLE-NSHDSACASA-N 1 0 277.328 -0.605 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776573 813581530 /nfs/dbraw/zinc/58/15/30/813581530.db2.gz SGRFGPNQZCRXGL-UHFFFAOYSA-N 1 0 260.297 -0.144 20 30 CBEDRO CN(C(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001125775730 813581924 /nfs/dbraw/zinc/58/19/24/813581924.db2.gz AKJGMUIJWIENNA-UHFFFAOYSA-N 1 0 289.339 -0.173 20 30 CBEDRO CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC001125776811 813582017 /nfs/dbraw/zinc/58/20/17/813582017.db2.gz 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C#CCC[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130234299 813920971 /nfs/dbraw/zinc/92/09/71/813920971.db2.gz WVAKPLPCMHUSMY-UHFFFAOYSA-N 1 0 284.381 -0.460 20 30 CBEDRO Cn1ncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1Cl ZINC001130305796 813927681 /nfs/dbraw/zinc/92/76/81/813927681.db2.gz LQVBLSMVBKAURK-UHFFFAOYSA-N 1 0 298.734 -0.967 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CS(=O)(=O)CC(C)C ZINC001130337023 813930548 /nfs/dbraw/zinc/93/05/48/813930548.db2.gz CPFFNZZDPLPIIG-UHFFFAOYSA-N 1 0 262.375 -0.051 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cccc(C(N)=O)c1 ZINC001130362473 813932416 /nfs/dbraw/zinc/93/24/16/813932416.db2.gz SZHQCWVAFRSKHE-UHFFFAOYSA-N 1 0 289.335 -0.245 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130363577 813933346 /nfs/dbraw/zinc/93/33/46/813933346.db2.gz ABFSDSNIUNKFGR-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C)c(=O)c1 ZINC001130375559 813934102 /nfs/dbraw/zinc/93/41/02/813934102.db2.gz JBPHPVFWJOUPFO-UHFFFAOYSA-N 1 0 292.339 -0.993 20 30 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278.356 -0.232 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553923 813952362 /nfs/dbraw/zinc/95/23/62/813952362.db2.gz RVTKEDFLWWJSRM-UHFFFAOYSA-N 1 0 268.361 -0.958 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](OC)C1 ZINC001130545717 813953093 /nfs/dbraw/zinc/95/30/93/813953093.db2.gz PUURPXKAZLJMOK-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CC1CS(=O)(=O)C1 ZINC001130577875 813953764 /nfs/dbraw/zinc/95/37/64/813953764.db2.gz LZPDKXLPAZBGAR-UHFFFAOYSA-N 1 0 290.385 -0.671 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CC1CS(=O)(=O)C1 ZINC001130581907 813954083 /nfs/dbraw/zinc/95/40/83/813954083.db2.gz ZXQUMOPCLOBOAO-UHFFFAOYSA-N 1 0 258.343 -0.850 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130587886 813956539 /nfs/dbraw/zinc/95/65/39/813956539.db2.gz DNRSLFGEHRBYKX-NSHDSACASA-N 1 0 281.360 -0.358 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130616027 813958037 /nfs/dbraw/zinc/95/80/37/813958037.db2.gz 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KYIOAXFZJWKKIX-UHFFFAOYSA-N 1 0 278.356 -0.048 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130987731 813996504 /nfs/dbraw/zinc/99/65/04/813996504.db2.gz LHSHVINAQYLLTK-SNVBAGLBSA-N 1 0 260.359 -0.297 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1coc(OCC)n1 ZINC001130844947 813985601 /nfs/dbraw/zinc/98/56/01/813985601.db2.gz WRMKPBONQHUYKE-UHFFFAOYSA-N 1 0 296.327 -0.305 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cncn1C ZINC001130898849 813990663 /nfs/dbraw/zinc/99/06/63/813990663.db2.gz LCFJBOMYFAHWFF-UHFFFAOYSA-N 1 0 250.302 -0.611 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1c1cncn1C ZINC001130897572 813991283 /nfs/dbraw/zinc/99/12/83/813991283.db2.gz GSVGCCVCSSYXBC-CHWSQXEVSA-N 1 0 290.367 -0.026 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001130993368 813996237 /nfs/dbraw/zinc/99/62/37/813996237.db2.gz SLPKRFJRUGFWPM-NSHDSACASA-N 1 0 272.370 -0.460 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001131000785 813998343 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C=CCOCC[NH2+]CCNC(=O)c1ccn2nnnc2c1 ZINC001132272199 814120988 /nfs/dbraw/zinc/12/09/88/814120988.db2.gz SEUIDYBUESOWTB-UHFFFAOYSA-N 1 0 290.327 -0.354 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CCC)OC ZINC001132298428 814122449 /nfs/dbraw/zinc/12/24/49/814122449.db2.gz HYXISZPESXKIFF-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CCNC(=O)C1 ZINC001132317818 814123681 /nfs/dbraw/zinc/12/36/81/814123681.db2.gz NLPAXWVGNCDXJV-LBPRGKRZSA-N 1 0 282.388 -0.521 20 30 CBEDRO C#CC[N@H+]1C[C@@H](NC(=O)CCn2cnnn2)CC[C@H]1C ZINC001132381616 814143453 /nfs/dbraw/zinc/14/34/53/814143453.db2.gz ZCYNATGWYGNTOA-NEPJUHHUSA-N 1 0 276.344 -0.335 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001132404233 814145914 /nfs/dbraw/zinc/14/59/14/814145914.db2.gz XACYFSGAZYNCAC-UHFFFAOYSA-N 1 0 283.372 -0.237 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1C ZINC001132424561 814149052 /nfs/dbraw/zinc/14/90/52/814149052.db2.gz RHJNWJVIUMLCLZ-OUAUKWLOSA-N 1 0 251.330 -0.514 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](F)CC ZINC001132433912 814149922 /nfs/dbraw/zinc/14/99/22/814149922.db2.gz SYYFSZXTDHMERB-VIFPVBQESA-N 1 0 288.323 -0.548 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)CC ZINC001132442700 814151976 /nfs/dbraw/zinc/15/19/76/814151976.db2.gz AHUKEJSVQVUDOB-ZJUUUORDSA-N 1 0 257.309 -0.422 20 30 CBEDRO C=C/C(C)=C\CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132516087 814158097 /nfs/dbraw/zinc/15/80/97/814158097.db2.gz RFJLGRSLJXKHEC-WCIBSUBMSA-N 1 0 264.329 -0.146 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519786 814158035 /nfs/dbraw/zinc/15/80/35/814158035.db2.gz MBAWGXBLJRLZRT-MNOVXSKESA-N 1 0 296.371 -0.996 20 30 CBEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132568951 814165026 /nfs/dbraw/zinc/16/50/26/814165026.db2.gz IHXLOVLLLSAPHF-QWRGUYRKSA-N 1 0 266.345 -0.210 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CC[C@H]1C ZINC001132597962 814165408 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ZINC001132633964 814174550 /nfs/dbraw/zinc/17/45/50/814174550.db2.gz QPLHMGDMMBZQAL-RYUDHWBXSA-N 1 0 280.372 -0.248 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132650753 814176486 /nfs/dbraw/zinc/17/64/86/814176486.db2.gz NTJRYKBBLCMMDA-LLVKDONJSA-N 1 0 266.345 -0.066 20 30 CBEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132667659 814177788 /nfs/dbraw/zinc/17/77/88/814177788.db2.gz PYGYITIGBIZTJW-NSHDSACASA-N 1 0 266.345 -0.066 20 30 CBEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001132671554 814178014 /nfs/dbraw/zinc/17/80/14/814178014.db2.gz VTQMDKIQCQRCHB-ZJUUUORDSA-N 1 0 284.360 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001132685328 814179282 /nfs/dbraw/zinc/17/92/82/814179282.db2.gz VDAOKQMRQVBUNG-NWDGAFQWSA-N 1 0 286.397 -0.262 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715420 814181376 /nfs/dbraw/zinc/18/13/76/814181376.db2.gz PDMODFLUPDBJIU-CQSZACIVSA-N 1 0 281.356 -0.742 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C ZINC001132717968 814181484 /nfs/dbraw/zinc/18/14/84/814181484.db2.gz PSLSFHLGKMWBTP-QWHCGFSZSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C ZINC001132717666 814181580 /nfs/dbraw/zinc/18/15/80/814181580.db2.gz OHBXTFHNJRRTQB-NEPJUHHUSA-N 1 0 265.357 -0.041 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132758642 814186556 /nfs/dbraw/zinc/18/65/56/814186556.db2.gz DIGNXNGQTXQQMW-JTQLQIEISA-N 1 0 280.328 -0.386 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001132780473 814189361 /nfs/dbraw/zinc/18/93/61/814189361.db2.gz ZMDSRPHBSKGWNM-AWEZNQCLSA-N 1 0 279.384 -0.031 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)c1cncnc1 ZINC001132820005 814190813 /nfs/dbraw/zinc/19/08/13/814190813.db2.gz GDNSYTBOWJTGNV-GFCCVEGCSA-N 1 0 276.340 -0.064 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823343 814192478 /nfs/dbraw/zinc/19/24/78/814192478.db2.gz DGOBVDZTKKVFRN-QWHCGFSZSA-N 1 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WYFDAJTVQIPXPN-UHFFFAOYSA-N 1 0 256.693 -0.158 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133037393 814210138 /nfs/dbraw/zinc/21/01/38/814210138.db2.gz WICHPHYWNHNXHP-RYUDHWBXSA-N 1 0 290.371 -0.079 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077376 814213686 /nfs/dbraw/zinc/21/36/86/814213686.db2.gz JOOJJVBJBWYCTD-WDEREUQCSA-N 1 0 251.330 -0.431 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133114997 814217158 /nfs/dbraw/zinc/21/71/58/814217158.db2.gz CRYIEQWSHQNJSI-ZJUUUORDSA-N 1 0 254.334 -0.272 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133154688 814221356 /nfs/dbraw/zinc/22/13/56/814221356.db2.gz PYORBFKSWZPHMI-UHFFFAOYSA-N 1 0 296.371 -0.993 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133255650 814232999 /nfs/dbraw/zinc/23/29/99/814232999.db2.gz TWNACWYKUQMPQD-ZDUSSCGKSA-N 1 0 291.355 -0.814 20 30 CBEDRO C[C@H]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001133318613 814238861 /nfs/dbraw/zinc/23/88/61/814238861.db2.gz NROZPXMOYWMDKA-WDEREUQCSA-N 1 0 282.344 -0.710 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334827 814242153 /nfs/dbraw/zinc/24/21/53/814242153.db2.gz CMKXRQAVGPYVMW-UHFFFAOYSA-N 1 0 268.317 -0.352 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1C[C@H]1C ZINC001133342996 814243878 /nfs/dbraw/zinc/24/38/78/814243878.db2.gz MXNVRYBZAJRBQW-MNOVXSKESA-N 1 0 251.330 -0.512 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CCC(F)CC1 ZINC001133383435 814247537 /nfs/dbraw/zinc/24/75/37/814247537.db2.gz PZKAOSLLYVRUHH-UHFFFAOYSA-N 1 0 284.335 -0.140 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133378757 814248158 /nfs/dbraw/zinc/24/81/58/814248158.db2.gz MHUSWSUSBFXQEQ-LBPRGKRZSA-N 1 0 270.333 -0.511 20 30 CBEDRO C=CCC1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CCC1 ZINC001133392469 814248938 /nfs/dbraw/zinc/24/89/38/814248938.db2.gz YRKHHEIQFBUWNI-UHFFFAOYSA-N 1 0 296.371 -0.106 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(F)F ZINC001133443012 814254075 /nfs/dbraw/zinc/25/40/75/814254075.db2.gz LHYYWVIKTRMDHS-YUMQZZPRSA-N 1 0 276.287 -0.236 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COC ZINC001133462193 814257904 /nfs/dbraw/zinc/25/79/04/814257904.db2.gz SSUXLNALLJCNJL-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC[C@@H]1C ZINC001133496173 814263315 /nfs/dbraw/zinc/26/33/15/814263315.db2.gz HURAEGHZNCSKNC-RYUDHWBXSA-N 1 0 281.356 -0.886 20 30 CBEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC001133530092 814272420 /nfs/dbraw/zinc/27/24/20/814272420.db2.gz ZWQXMKLUFJPKHR-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133569918 814273277 /nfs/dbraw/zinc/27/32/77/814273277.db2.gz GEGZIRPNJNTENQ-UHFFFAOYSA-N 1 0 264.329 -0.312 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133619859 814277444 /nfs/dbraw/zinc/27/74/44/814277444.db2.gz NIKYANYNUSKICW-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133620000 814277917 /nfs/dbraw/zinc/27/79/17/814277917.db2.gz PJXYXYVMHVOMKJ-QWRGUYRKSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133621755 814278466 /nfs/dbraw/zinc/27/84/66/814278466.db2.gz QNYXOCCZNAEIQE-UHFFFAOYSA-N 1 0 292.339 -0.993 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133633441 814280325 /nfs/dbraw/zinc/28/03/25/814280325.db2.gz SHGSKXZYXUPQKT-GHMZBOCLSA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133741018 814290990 /nfs/dbraw/zinc/29/09/90/814290990.db2.gz KVFXMJJYFUSHSL-MNOVXSKESA-N 1 0 253.346 -0.029 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133789131 814297128 /nfs/dbraw/zinc/29/71/28/814297128.db2.gz JISOXFVZOZVUIU-UWVGGRQHSA-N 1 0 255.318 -0.152 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn[nH]1 ZINC001133807797 814297803 /nfs/dbraw/zinc/29/78/03/814297803.db2.gz PHWIVLLXNCRRNM-MNOVXSKESA-N 1 0 291.355 -0.354 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cccnc1C ZINC001133800899 814297957 /nfs/dbraw/zinc/29/79/57/814297957.db2.gz ALNYVWINEFNDMU-UHFFFAOYSA-N 1 0 288.351 -0.612 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001133826719 814301452 /nfs/dbraw/zinc/30/14/52/814301452.db2.gz VGYUNZYNFBNADM-GHMZBOCLSA-N 1 0 291.355 -0.354 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cn[nH]c1 ZINC001133825618 814302937 /nfs/dbraw/zinc/30/29/37/814302937.db2.gz MIIAIBJZOUITFE-VHSXEESVSA-N 1 0 292.343 -0.464 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn[nH]c1 ZINC001133826721 814303252 /nfs/dbraw/zinc/30/32/52/814303252.db2.gz VGYUNZYNFBNADM-QWRGUYRKSA-N 1 0 291.355 -0.354 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC(F)(F)C(F)F ZINC001133886227 814319819 /nfs/dbraw/zinc/31/98/19/814319819.db2.gz KYRFATHMIJRDPL-UHFFFAOYSA-N 1 0 298.240 -0.378 20 30 CBEDRO CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133900131 814320620 /nfs/dbraw/zinc/32/06/20/814320620.db2.gz DPYDXBVXOKEMFF-NWDGAFQWSA-N 1 0 298.387 -0.074 20 30 CBEDRO CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133900133 814321738 /nfs/dbraw/zinc/32/17/38/814321738.db2.gz DPYDXBVXOKEMFF-VXGBXAGGSA-N 1 0 298.387 -0.074 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133909897 814323376 /nfs/dbraw/zinc/32/33/76/814323376.db2.gz SITMWRGHLDFKPA-VXGBXAGGSA-N 1 0 296.371 -0.298 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001133910326 814323728 /nfs/dbraw/zinc/32/37/28/814323728.db2.gz YUMGKAGEILJASU-NXEZZACHSA-N 1 0 257.334 -0.453 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C(C)(F)F ZINC001133967750 814330912 /nfs/dbraw/zinc/33/09/12/814330912.db2.gz BZYOVUNGIZHRII-VIFPVBQESA-N 1 0 275.299 -0.267 20 30 CBEDRO C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)(F)F ZINC001133968263 814332139 /nfs/dbraw/zinc/33/21/39/814332139.db2.gz TXRAMZLGCBQLJK-MRVPVSSYSA-N 1 0 276.287 -0.377 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134030917 814344362 /nfs/dbraw/zinc/34/43/62/814344362.db2.gz CVVJIXVMDFDBIV-UTUOFQBUSA-N 1 0 281.356 -0.745 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134033025 814344748 /nfs/dbraw/zinc/34/47/48/814344748.db2.gz HERFRDSQTXXFFM-PWSUYJOCSA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134061716 814348844 /nfs/dbraw/zinc/34/88/44/814348844.db2.gz FLXYZQJPTWNDBP-XQQFMLRXSA-N 1 0 293.367 -0.579 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001134129197 814355521 /nfs/dbraw/zinc/35/55/21/814355521.db2.gz CCINMHFMTYZIES-VXGBXAGGSA-N 1 0 289.335 -0.162 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]CC(N)=O ZINC001134161700 814357582 /nfs/dbraw/zinc/35/75/82/814357582.db2.gz ZWIWYQRHWNKKNW-BDAKNGLRSA-N 1 0 277.328 -0.142 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CNC(=O)c1cccnc1 ZINC001134161598 814357878 /nfs/dbraw/zinc/35/78/78/814357878.db2.gz RFAHQOXLGRLFPI-UHFFFAOYSA-N 1 0 262.313 -0.297 20 30 CBEDRO CNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134169160 814359935 /nfs/dbraw/zinc/35/99/35/814359935.db2.gz USGGWIMCKQVKHL-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)(C)O ZINC001134229448 814364222 /nfs/dbraw/zinc/36/42/22/814364222.db2.gz SZXPQMDKLHXYPV-RYUDHWBXSA-N 1 0 297.399 -0.230 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(=O)NC ZINC001134260514 814366732 /nfs/dbraw/zinc/36/67/32/814366732.db2.gz KMCGBOKCOQXZNM-QWRGUYRKSA-N 1 0 268.361 -0.188 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccncc1Cl ZINC001134277446 814367798 /nfs/dbraw/zinc/36/77/98/814367798.db2.gz LGAJPSOGJCMXAY-UHFFFAOYSA-N 1 0 294.742 -0.196 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CC2 ZINC001134305175 814372110 /nfs/dbraw/zinc/37/21/10/814372110.db2.gz KHXCJQAWDVUBNE-SNVBAGLBSA-N 1 0 294.355 -0.496 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]CC(=O)NC(N)=O ZINC001134317745 814372849 /nfs/dbraw/zinc/37/28/49/814372849.db2.gz NMZSQALLGRVZED-ZJUUUORDSA-N 1 0 294.355 -0.532 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C#CC1CC1 ZINC001134327061 814374479 /nfs/dbraw/zinc/37/44/79/814374479.db2.gz YOWKYLIQVJFEOQ-NWDGAFQWSA-N 1 0 290.367 -0.088 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001134351893 814375001 /nfs/dbraw/zinc/37/50/01/814375001.db2.gz LTXYVGONYAVCSZ-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352578 814375010 /nfs/dbraw/zinc/37/50/10/814375010.db2.gz RIVWDKKPXGIYMZ-WDEREUQCSA-N 1 0 291.417 -0.015 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380007 814377840 /nfs/dbraw/zinc/37/78/40/814377840.db2.gz LXNHCXQGTDMLMB-NEPJUHHUSA-N 1 0 294.359 -0.804 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380632 814378141 /nfs/dbraw/zinc/37/81/41/814378141.db2.gz VLXMZFZNEKROPF-UWVGGRQHSA-N 1 0 252.322 -0.268 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384065 814378186 /nfs/dbraw/zinc/37/81/86/814378186.db2.gz MEBKXWMCVMHBOX-MNOVXSKESA-N 1 0 264.333 -0.431 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134393028 814380025 /nfs/dbraw/zinc/38/00/25/814380025.db2.gz GTSIGMWVLMYBHM-UHFFFAOYSA-N 1 0 250.302 -0.692 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nccn1 ZINC001134462336 814386918 /nfs/dbraw/zinc/38/69/18/814386918.db2.gz SEICTYWDTIRSPC-STQMWFEESA-N 1 0 293.371 -0.199 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134495395 814387683 /nfs/dbraw/zinc/38/76/83/814387683.db2.gz YFZCTSBHANGKQH-GFCCVEGCSA-N 1 0 293.371 -0.158 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CCC)C1 ZINC001134503104 814388191 /nfs/dbraw/zinc/38/81/91/814388191.db2.gz JFKADMOCYJJRFT-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499662 814388601 /nfs/dbraw/zinc/38/86/01/814388601.db2.gz GZDJKQVXSKREHX-MNOVXSKESA-N 1 0 291.417 -0.015 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134660092 814406823 /nfs/dbraw/zinc/40/68/23/814406823.db2.gz RMAIVFGWDHPHDS-GFCCVEGCSA-N 1 0 272.345 -0.607 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134507991 814390390 /nfs/dbraw/zinc/39/03/90/814390390.db2.gz PFHXFKVDVKZFBY-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509373 814391099 /nfs/dbraw/zinc/39/10/99/814391099.db2.gz REHPXDFCFCYJHR-QWRGUYRKSA-N 1 0 289.401 -0.616 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nccc1C ZINC001134523172 814391684 /nfs/dbraw/zinc/39/16/84/814391684.db2.gz ASAQAIUFTYIIIX-LBPRGKRZSA-N 1 0 293.371 -0.412 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCCCO1 ZINC001134575168 814398416 /nfs/dbraw/zinc/39/84/16/814398416.db2.gz YWBYBLZBYQYNOF-CYBMUJFWSA-N 1 0 295.383 -0.209 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134602815 814398970 /nfs/dbraw/zinc/39/89/70/814398970.db2.gz OONUUTOVRLQYMS-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134612817 814399739 /nfs/dbraw/zinc/39/97/39/814399739.db2.gz DNXBDOBXCCCKNL-UHFFFAOYSA-N 1 0 289.401 -0.613 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134656234 814404678 /nfs/dbraw/zinc/40/46/78/814404678.db2.gz YWEWBSIVFOTJTF-CYBMUJFWSA-N 1 0 286.372 -0.052 20 30 CBEDRO CCNC(=O)NC(C)(C)C(=O)NCC[NH2+]CC#CCOC ZINC001134700888 814407437 /nfs/dbraw/zinc/40/74/37/814407437.db2.gz SXBHUBKZPBBBQY-UHFFFAOYSA-N 1 0 298.387 -0.560 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(C)(C)NC(=O)NCC ZINC001134696681 814407702 /nfs/dbraw/zinc/40/77/02/814407702.db2.gz HXFSZUNEFFKLLD-UHFFFAOYSA-N 1 0 254.334 -0.577 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C(C)(C)NC(=O)NCC ZINC001134696557 814408056 /nfs/dbraw/zinc/40/80/56/814408056.db2.gz BTBHSDGTZBBISP-UHFFFAOYSA-N 1 0 256.350 -0.024 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134667466 814408293 /nfs/dbraw/zinc/40/82/93/814408293.db2.gz 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/nfs/dbraw/zinc/42/35/60/814423560.db2.gz VQCHZWVTHXESHN-ZDUSSCGKSA-N 1 0 283.372 -0.497 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC001134947559 814425894 /nfs/dbraw/zinc/42/58/94/814425894.db2.gz LDGLTIZALSYYPT-UHFFFAOYSA-N 1 0 277.299 -0.219 20 30 CBEDRO C#CCOc1ccc(C(=O)NCC[NH2+]CC(N)=O)cc1 ZINC001134950282 814427727 /nfs/dbraw/zinc/42/77/27/814427727.db2.gz HRLLCHCSGNFYHU-UHFFFAOYSA-N 1 0 275.308 -0.497 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCC[C@H](C)O)nn1 ZINC001134970313 814427805 /nfs/dbraw/zinc/42/78/05/814427805.db2.gz RRYONNMHMACYEC-NSHDSACASA-N 1 0 281.360 -0.056 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCCOC)nn1 ZINC001134970048 814427933 /nfs/dbraw/zinc/42/79/33/814427933.db2.gz POHPOSHTOSBAGX-UHFFFAOYSA-N 1 0 267.333 -0.180 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)nn1 ZINC001134973055 814428067 /nfs/dbraw/zinc/42/80/67/814428067.db2.gz BAHDNXPOGXSJFY-SNVBAGLBSA-N 1 0 292.343 -0.986 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@H](CC)C(N)=O)nn1 ZINC001134973062 814428137 /nfs/dbraw/zinc/42/81/37/814428137.db2.gz BOZAQWDWWXSXFF-SECBINFHSA-N 1 0 280.332 -0.953 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135058017 814433782 /nfs/dbraw/zinc/43/37/82/814433782.db2.gz AOQXIWZHHPMLMG-NSHDSACASA-N 1 0 293.371 -0.261 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081859 814437179 /nfs/dbraw/zinc/43/71/79/814437179.db2.gz UBLGGHBGBMHAPD-UWVGGRQHSA-N 1 0 292.405 -0.901 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001135081861 814438168 /nfs/dbraw/zinc/43/81/68/814438168.db2.gz UBLGGHBGBMHAPD-ZJUUUORDSA-N 1 0 292.405 -0.901 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135111016 814438816 /nfs/dbraw/zinc/43/88/16/814438816.db2.gz OSRXVQYDZNWEPO-UHFFFAOYSA-N 1 0 294.359 -0.539 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135135068 814439177 /nfs/dbraw/zinc/43/91/77/814439177.db2.gz KUALBEHAGBGKRV-JTQLQIEISA-N 1 0 275.374 -0.698 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135114786 814439434 /nfs/dbraw/zinc/43/94/34/814439434.db2.gz NBHVHUZGQLCNBT-UHFFFAOYSA-N 1 0 294.359 -0.539 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnco1 ZINC001135123553 814439585 /nfs/dbraw/zinc/43/95/85/814439585.db2.gz OQSMHDOQOVDZSE-VHSXEESVSA-N 1 0 293.327 -0.199 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135159626 814440995 /nfs/dbraw/zinc/44/09/95/814440995.db2.gz XGYLPMTUVFTZAV-UHFFFAOYSA-N 1 0 294.355 -0.353 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135145797 814441697 /nfs/dbraw/zinc/44/16/97/814441697.db2.gz UKIHBNAVGFWZNV-AVGNSLFASA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135147611 814441715 /nfs/dbraw/zinc/44/17/15/814441715.db2.gz OHLUHAQFNDGMPT-XQQFMLRXSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135159686 814441772 /nfs/dbraw/zinc/44/17/72/814441772.db2.gz ZMWIMUHXXPJLQM-UHFFFAOYSA-N 1 0 280.328 -0.744 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176290 814443627 /nfs/dbraw/zinc/44/36/27/814443627.db2.gz NCTRMBRMTVHFSN-NWDGAFQWSA-N 1 0 282.388 -0.523 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209585 814444871 /nfs/dbraw/zinc/44/48/71/814444871.db2.gz SKXHVLQNAMZJOP-UHFFFAOYSA-N 1 0 290.385 -0.833 20 30 CBEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135185029 814444978 /nfs/dbraw/zinc/44/49/78/814444978.db2.gz SHFQEHILGVSPRF-OLZOCXBDSA-N 1 0 296.415 -0.133 20 30 CBEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135185031 814445284 /nfs/dbraw/zinc/44/52/84/814445284.db2.gz SHFQEHILGVSPRF-STQMWFEESA-N 1 0 296.415 -0.133 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001135214941 814446837 /nfs/dbraw/zinc/44/68/37/814446837.db2.gz SLHCFINAQIYMNA-WDEREUQCSA-N 1 0 294.359 -0.654 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccn2ccnc12 ZINC001135254147 814451427 /nfs/dbraw/zinc/45/14/27/814451427.db2.gz VZAOYIGBQDTHEV-UHFFFAOYSA-N 1 0 299.334 -0.597 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135329891 814462434 /nfs/dbraw/zinc/46/24/34/814462434.db2.gz IOTTYFDPZOWMSG-NWDGAFQWSA-N 1 0 295.383 -0.225 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1c(C)n[nH]c1C ZINC001135426394 814473694 /nfs/dbraw/zinc/47/36/94/814473694.db2.gz UJMPGIMTFYKTSI-UHFFFAOYSA-N 1 0 264.329 -0.004 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135444025 814476235 /nfs/dbraw/zinc/47/62/35/814476235.db2.gz KGLZBTONCZZSRV-JTQLQIEISA-N 1 0 282.344 -0.401 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CNC(=O)C1CCOCC1 ZINC001135469291 814477429 /nfs/dbraw/zinc/47/74/29/814477429.db2.gz AHQSWBVKPHGALO-UHFFFAOYSA-N 1 0 283.372 -0.189 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160172646 815611547 /nfs/dbraw/zinc/61/15/47/815611547.db2.gz PATLEMRCJAOTSX-JTQLQIEISA-N 1 0 282.344 -0.353 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C ZINC001135784350 814526810 /nfs/dbraw/zinc/52/68/10/814526810.db2.gz YUTBOVDULHSNIT-RYUDHWBXSA-N 1 0 254.330 -0.233 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc2ncccn2n1 ZINC001135584855 814495439 /nfs/dbraw/zinc/49/54/39/814495439.db2.gz KRMVKGOOJCOAEP-UHFFFAOYSA-N 1 0 287.323 -0.302 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001160175054 815612254 /nfs/dbraw/zinc/61/22/54/815612254.db2.gz WZTSDQBJRJUJTN-CABZTGNLSA-N 1 0 292.343 -0.466 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ncccn1 ZINC001135610228 814500333 /nfs/dbraw/zinc/50/03/33/814500333.db2.gz YYQVUIXNICPKBY-SNVBAGLBSA-N 1 0 277.328 -0.513 20 30 CBEDRO C=CCN1CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1 ZINC001160432195 815620335 /nfs/dbraw/zinc/62/03/35/815620335.db2.gz OGHNNIMOLCWVQC-BBATYDOGSA-N 1 0 273.402 -0.588 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001135670190 814506975 /nfs/dbraw/zinc/50/69/75/814506975.db2.gz DFUQPSKOBZUQFS-WDEREUQCSA-N 1 0 293.367 -0.065 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)CCn1cnnn1 ZINC001135681340 814508618 /nfs/dbraw/zinc/50/86/18/814508618.db2.gz HKQKNHZTOLFVHV-UHFFFAOYSA-N 1 0 252.322 -0.265 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnon1 ZINC001135726625 814514826 /nfs/dbraw/zinc/51/48/26/814514826.db2.gz XWCLISSWEUNDNB-ZJUUUORDSA-N 1 0 295.343 -0.142 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001135733987 814517648 /nfs/dbraw/zinc/51/76/48/814517648.db2.gz JRFROASYBSKPMQ-WDEREUQCSA-N 1 0 279.344 -0.059 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135781188 814523133 /nfs/dbraw/zinc/52/31/33/814523133.db2.gz NAAJOFUZCDZSHE-CYBMUJFWSA-N 1 0 254.330 -0.231 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cnc2c(cnn2C)c1 ZINC001135786218 814527227 /nfs/dbraw/zinc/52/72/27/814527227.db2.gz BVPIKZMBFLLUNN-UHFFFAOYSA-N 1 0 257.297 -0.079 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@]1(C)CCOC1 ZINC001135801090 814528744 /nfs/dbraw/zinc/52/87/44/814528744.db2.gz BVCZZMBUAHAZRP-BXUZGUMPSA-N 1 0 281.356 -0.743 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]n1 ZINC001135908092 814537876 /nfs/dbraw/zinc/53/78/76/814537876.db2.gz SLVFHVYDLNXHDS-NEPJUHHUSA-N 1 0 293.371 -0.130 20 30 CBEDRO CON=CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001135915454 814537914 /nfs/dbraw/zinc/53/79/14/814537914.db2.gz MGGYOGNTWBZHOG-UHFFFAOYSA-N 1 0 268.361 -0.141 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(C(C)C)nn1 ZINC001135973269 814543209 /nfs/dbraw/zinc/54/32/09/814543209.db2.gz UEQLJRHLIFYTLT-UHFFFAOYSA-N 1 0 294.359 -0.519 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136001644 814544493 /nfs/dbraw/zinc/54/44/93/814544493.db2.gz SPMUGUQHQPGDRI-LLVKDONJSA-N 1 0 277.328 -0.733 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017316 814546427 /nfs/dbraw/zinc/54/64/27/814546427.db2.gz FNPROFSWYUIIMO-UHFFFAOYSA-N 1 0 265.235 -0.606 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136018249 814546804 /nfs/dbraw/zinc/54/68/04/814546804.db2.gz YRQNHVUXMFWMOP-UHFFFAOYSA-N 1 0 250.302 -0.475 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136057416 814549153 /nfs/dbraw/zinc/54/91/53/814549153.db2.gz YNMZNWMSVABRJZ-GHMZBOCLSA-N 1 0 291.417 -0.063 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001136057417 814549606 /nfs/dbraw/zinc/54/96/06/814549606.db2.gz YNMZNWMSVABRJZ-MNOVXSKESA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136056832 814550163 /nfs/dbraw/zinc/55/01/63/814550163.db2.gz VKGXSNVVEMOGMB-QWRGUYRKSA-N 1 0 293.371 -0.604 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001136056834 814550219 /nfs/dbraw/zinc/55/02/19/814550219.db2.gz VKGXSNVVEMOGMB-WDEREUQCSA-N 1 0 293.371 -0.604 20 30 CBEDRO COC[C@H](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001136113729 814552875 /nfs/dbraw/zinc/55/28/75/814552875.db2.gz RSJASCXPKUEIMU-SNVBAGLBSA-N 1 0 270.333 -0.995 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127034 814554456 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C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001317659360 817040809 /nfs/dbraw/zinc/04/08/09/817040809.db2.gz YKMXJGFGPSENRC-UHFFFAOYSA-N 1 0 292.339 -0.249 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)CC[NH2+]C[C@H](O)COC)cn1 ZINC001317651517 817041120 /nfs/dbraw/zinc/04/11/20/817041120.db2.gz TZQAQWJFWUBMFF-AWEZNQCLSA-N 1 0 291.351 -0.268 20 30 CBEDRO C=CCOCC[NH2+]CCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001317667780 817041689 /nfs/dbraw/zinc/04/16/89/817041689.db2.gz RTOCNFALJRJFBS-UHFFFAOYSA-N 1 0 296.371 -0.412 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001317661033 817041859 /nfs/dbraw/zinc/04/18/59/817041859.db2.gz HHNGWWHBPMQYNT-JTQLQIEISA-N 1 0 280.328 -0.954 20 30 CBEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001317666591 817041952 /nfs/dbraw/zinc/04/19/52/817041952.db2.gz VTGGFMNZZARIMV-JTQLQIEISA-N 1 0 260.359 -0.202 20 30 CBEDRO CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001317674656 817043870 /nfs/dbraw/zinc/04/38/70/817043870.db2.gz 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C#CCOCCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001318253217 817091909 /nfs/dbraw/zinc/09/19/09/817091909.db2.gz OBBLUVMVGLUMJZ-ZDUSSCGKSA-N 1 0 291.355 -0.492 20 30 CBEDRO CN(CC(=O)NC1(C#N)CC[NH+](C)CC1)C(=O)C1CC1 ZINC001318462146 817111257 /nfs/dbraw/zinc/11/12/57/817111257.db2.gz QDSVAKPZBYRGSD-UHFFFAOYSA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)NC(N)=O)C1 ZINC001318466743 817112694 /nfs/dbraw/zinc/11/26/94/817112694.db2.gz ZATHFLJRSGCEMB-QWRGUYRKSA-N 1 0 266.345 -0.401 20 30 CBEDRO CC[C@@H](CNC(=O)CS(C)(=O)=O)[NH2+]CC#CCOC ZINC001318504041 817115125 /nfs/dbraw/zinc/11/51/25/817115125.db2.gz RKZQOQXLBPIBLY-NSHDSACASA-N 1 0 290.385 -0.835 20 30 CBEDRO C=CCOCC(=O)NC[C@H](CC)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001318506975 817117029 /nfs/dbraw/zinc/11/70/29/817117029.db2.gz NNZMWVBPCMKMQM-WDEREUQCSA-N 1 0 297.355 -0.521 20 30 CBEDRO CC[C@@H](CNC(=O)Cc1ccoc1)[NH2+]CC(=O)NCC#N ZINC001318514821 817118449 /nfs/dbraw/zinc/11/84/49/817118449.db2.gz 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1 0 292.383 -0.139 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001318952753 817152826 /nfs/dbraw/zinc/15/28/26/817152826.db2.gz JADJPBIWFVJESP-AVGNSLFASA-N 1 0 295.383 -0.212 20 30 CBEDRO C=CCOCC[NH+]1CCC(CCNC(=O)C(N)=O)CC1 ZINC001319032190 817159232 /nfs/dbraw/zinc/15/92/32/817159232.db2.gz WVACQUVNDDEEIH-UHFFFAOYSA-N 1 0 283.372 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCS1(=O)=O ZINC001319076966 817164202 /nfs/dbraw/zinc/16/42/02/817164202.db2.gz DOVOLURNKGZQAF-GFCCVEGCSA-N 1 0 299.396 -0.764 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(C)=O ZINC001319151149 817169343 /nfs/dbraw/zinc/16/93/43/817169343.db2.gz XPVHUUNDXGOSHR-SECBINFHSA-N 1 0 270.333 -0.640 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001319154982 817170616 /nfs/dbraw/zinc/17/06/16/817170616.db2.gz SWQDCZJSPHSSAO-QWRGUYRKSA-N 1 0 253.346 -0.124 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001319154983 817170780 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ZINC001319228208 817178869 /nfs/dbraw/zinc/17/88/69/817178869.db2.gz FWCIMCCHLNHIPD-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C[C@@H](CNC(=O)[C@H]1CC12CC2)C[NH2+]CC(=O)NCC#N ZINC001319241549 817179657 /nfs/dbraw/zinc/17/96/57/817179657.db2.gz DTZDWEXDLDAYJJ-GHMZBOCLSA-N 1 0 278.356 -0.232 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001319242115 817180487 /nfs/dbraw/zinc/18/04/87/817180487.db2.gz OMGWNOZNWWFSJW-UWVGGRQHSA-N 1 0 282.344 -0.498 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001319257697 817182446 /nfs/dbraw/zinc/18/24/46/817182446.db2.gz NEKZKLWPMMVVBJ-JTQLQIEISA-N 1 0 251.330 -0.512 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]n1 ZINC001319262077 817183554 /nfs/dbraw/zinc/18/35/54/817183554.db2.gz MLMGGRLFVGEKCZ-LLVKDONJSA-N 1 0 279.344 -0.661 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001319291851 817186176 /nfs/dbraw/zinc/18/61/76/817186176.db2.gz UDRBUMQNASGZGB-QWRGUYRKSA-N 1 0 266.345 -0.495 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001319283383 817186383 /nfs/dbraw/zinc/18/63/83/817186383.db2.gz RLOMYESUIORUBU-RYUDHWBXSA-N 1 0 286.397 -0.071 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)CS(C)(=O)=O)CCCC1 ZINC001319340184 817192614 /nfs/dbraw/zinc/19/26/14/817192614.db2.gz IHEOJFRDYBBMDU-UHFFFAOYSA-N 1 0 272.370 -0.317 20 30 CBEDRO CO[C@H](C)C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001319341729 817193854 /nfs/dbraw/zinc/19/38/54/817193854.db2.gz UPDDKZBLJQMOKZ-LLVKDONJSA-N 1 0 296.371 -0.320 20 30 CBEDRO C=CCOCC(=O)NCC1([NH2+]CC(=O)NC)CCCC1 ZINC001319341858 817194291 /nfs/dbraw/zinc/19/42/91/817194291.db2.gz XKBYMYQASOXNJD-UHFFFAOYSA-N 1 0 283.372 -0.046 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCCC1 ZINC001319368323 817196493 /nfs/dbraw/zinc/19/64/93/817196493.db2.gz FXEDSBHNUBCJHZ-LLVKDONJSA-N 1 0 278.356 -0.338 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)C2CC(=O)NC(=O)C2)CCCC1 ZINC001319380019 817197996 /nfs/dbraw/zinc/19/79/96/817197996.db2.gz XMPJNCVYZUNFFG-UHFFFAOYSA-N 1 0 291.351 -0.309 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001319372795 817198086 /nfs/dbraw/zinc/19/80/86/817198086.db2.gz QRWCRQDWJCVJJJ-JTQLQIEISA-N 1 0 264.329 -0.680 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)COCC ZINC001319417786 817200144 /nfs/dbraw/zinc/20/01/44/817200144.db2.gz HIDPCGALYOKIGA-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001319431458 817203537 /nfs/dbraw/zinc/20/35/37/817203537.db2.gz YUQVFNIAXBHMMQ-NSHDSACASA-N 1 0 290.385 -0.883 20 30 CBEDRO C#CCC[NH+]1CCC(NC(=O)Cn2cnc(C#N)n2)CC1 ZINC001319446627 817205077 /nfs/dbraw/zinc/20/50/77/817205077.db2.gz BXXSFTAPMVOTRT-UHFFFAOYSA-N 1 0 286.339 -0.246 20 30 CBEDRO C#CCCCCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319448779 817206114 /nfs/dbraw/zinc/20/61/14/817206114.db2.gz QBCDAJUQPZILNT-LLVKDONJSA-N 1 0 296.371 -0.189 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C#CC(C)C ZINC001319455305 817206432 /nfs/dbraw/zinc/20/64/32/817206432.db2.gz 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C[C@H](C#N)CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001319986197 817264716 /nfs/dbraw/zinc/26/47/16/817264716.db2.gz FKIHQRUABIBPRA-SNVBAGLBSA-N 1 0 254.334 -0.098 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCNC1=O ZINC001320009279 817267320 /nfs/dbraw/zinc/26/73/20/817267320.db2.gz IGNWKKXXIOVBEB-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)CN1CCOCC1=O ZINC001320008058 817267406 /nfs/dbraw/zinc/26/74/06/817267406.db2.gz AYKDLKBBOXSZSQ-UHFFFAOYSA-N 1 0 281.356 -0.741 20 30 CBEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001320054383 817273019 /nfs/dbraw/zinc/27/30/19/817273019.db2.gz GXFNETIOBHLDCF-NSHDSACASA-N 1 0 296.371 -0.059 20 30 CBEDRO CN(CCC#N)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320053195 817273518 /nfs/dbraw/zinc/27/35/18/817273518.db2.gz VMIKCMPYGVZLRJ-UHFFFAOYSA-N 1 0 292.343 -0.245 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001320080556 817276430 /nfs/dbraw/zinc/27/64/30/817276430.db2.gz NQFVXPDUUXXVML-UHFFFAOYSA-N 1 0 292.339 -0.487 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@H]2CN(C(C)=O)CC[C@H]21 ZINC001320099018 817277817 /nfs/dbraw/zinc/27/78/17/817277817.db2.gz ZLCWJZSNGKXHMX-QWHCGFSZSA-N 1 0 263.341 -0.322 20 30 CBEDRO CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001320116630 817278811 /nfs/dbraw/zinc/27/88/11/817278811.db2.gz UFQSAXFJAIVLHG-QWRGUYRKSA-N 1 0 252.318 -0.479 20 30 CBEDRO CCOCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001320119460 817279505 /nfs/dbraw/zinc/27/95/05/817279505.db2.gz XLOHUTVSXZIUJS-RYUDHWBXSA-N 1 0 296.371 -0.463 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC(N)=O ZINC001320132038 817280468 /nfs/dbraw/zinc/28/04/68/817280468.db2.gz VVUQBYNDOBTBNK-NEPJUHHUSA-N 1 0 281.356 -0.614 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001320188851 817287125 /nfs/dbraw/zinc/28/71/25/817287125.db2.gz SRBJBLNXNMKEEU-CHWSQXEVSA-N 1 0 293.367 -0.841 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1CC=CC1 ZINC001320199545 817288500 /nfs/dbraw/zinc/28/85/00/817288500.db2.gz ASCBDUBDOYSMTF-ZDUSSCGKSA-N 1 0 266.341 -0.331 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)SC ZINC001320198491 817288725 /nfs/dbraw/zinc/28/87/25/817288725.db2.gz CHEBAAWTTYSXAR-MNOVXSKESA-N 1 0 274.386 -0.546 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)CC1CCOCC1 ZINC001320199612 817289192 /nfs/dbraw/zinc/28/91/92/817289192.db2.gz BTLFTFMQLUFYCN-AWEZNQCLSA-N 1 0 298.383 -0.480 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCn1cccn1 ZINC001320202620 817290225 /nfs/dbraw/zinc/29/02/25/817290225.db2.gz SNAVCAFZDSIIAH-LLVKDONJSA-N 1 0 252.318 -0.474 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1cccn1 ZINC001320202621 817290379 /nfs/dbraw/zinc/29/03/79/817290379.db2.gz SNAVCAFZDSIIAH-NSHDSACASA-N 1 0 252.318 -0.474 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001320201808 817290567 /nfs/dbraw/zinc/29/05/67/817290567.db2.gz PWTFPFMCJZYHHI-NSHDSACASA-N 1 0 266.345 -0.015 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001320213538 817293406 /nfs/dbraw/zinc/29/34/06/817293406.db2.gz HMFNSHINJRQHPX-MNOVXSKESA-N 1 0 281.360 -0.150 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001320214849 817294472 /nfs/dbraw/zinc/29/44/72/817294472.db2.gz AYWNOHVHLMPSGX-WCQYABFASA-N 1 0 294.355 -0.975 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001320214850 817295001 /nfs/dbraw/zinc/29/50/01/817295001.db2.gz AYWNOHVHLMPSGX-YPMHNXCESA-N 1 0 294.355 -0.975 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCOCC1CC1 ZINC001320218265 817295756 /nfs/dbraw/zinc/29/57/56/817295756.db2.gz REXAXCHLCLKDHN-AWEZNQCLSA-N 1 0 280.368 -0.107 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001320216367 817296111 /nfs/dbraw/zinc/29/61/11/817296111.db2.gz JUDUPLLALDHOJJ-CQSZACIVSA-N 1 0 292.383 -0.311 20 30 CBEDRO CN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1)C1CC1 ZINC001320218718 817296387 /nfs/dbraw/zinc/29/63/87/817296387.db2.gz UIIBECPKEBKXRI-ZDUSSCGKSA-N 1 0 293.367 -0.913 20 30 CBEDRO C[C@H](O)CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001320219077 817297486 /nfs/dbraw/zinc/29/74/86/817297486.db2.gz ZCSDOWGQUBYVEJ-CMPLNLGQSA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2[nH]cnc21 ZINC001320226520 817298389 /nfs/dbraw/zinc/29/83/89/817298389.db2.gz DEQZDTGJQCEMIK-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001320227210 817298427 /nfs/dbraw/zinc/29/84/27/817298427.db2.gz MMOLBWSTNAKEGS-NSHDSACASA-N 1 0 276.340 -0.467 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001320227205 817298624 /nfs/dbraw/zinc/29/86/24/817298624.db2.gz MKULRTPYQHGEIF-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)COCc1ccnn1C ZINC001320236560 817300822 /nfs/dbraw/zinc/30/08/22/817300822.db2.gz ANVKPKAIZXEOFR-CYBMUJFWSA-N 1 0 294.355 -0.973 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001320240705 817303081 /nfs/dbraw/zinc/30/30/81/817303081.db2.gz BXVLSOXOFQHREC-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001320246220 817303815 /nfs/dbraw/zinc/30/38/15/817303815.db2.gz PCZAPCPCWMZVEA-OLZOCXBDSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001320258904 817305626 /nfs/dbraw/zinc/30/56/26/817305626.db2.gz MGFYJXOTOMGWMX-QWHCGFSZSA-N 1 0 294.355 -0.802 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001320258899 817305830 /nfs/dbraw/zinc/30/58/30/817305830.db2.gz MGFYJXOTOMGWMX-CHWSQXEVSA-N 1 0 294.355 -0.802 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001320262338 817307291 /nfs/dbraw/zinc/30/72/91/817307291.db2.gz GULXPHPQZORCLM-ZWNOBZJWSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC1(C)C ZINC001320263549 817307965 /nfs/dbraw/zinc/30/79/65/817307965.db2.gz NPYFQAQYCUCELN-RYUDHWBXSA-N 1 0 297.399 -0.209 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](OC)C(C)C ZINC001320270703 817309779 /nfs/dbraw/zinc/30/97/79/817309779.db2.gz NVBMKEIEQWHQRT-NWDGAFQWSA-N 1 0 256.346 -0.253 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001320275874 817311880 /nfs/dbraw/zinc/31/18/80/817311880.db2.gz XKXOFBUVBCFLMU-VWYCJHECSA-N 1 0 269.345 -0.859 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001320282931 817312486 /nfs/dbraw/zinc/31/24/86/817312486.db2.gz LIPQFLNVTSIJHU-PWSUYJOCSA-N 1 0 264.329 -0.712 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001320279711 817312664 /nfs/dbraw/zinc/31/26/64/817312664.db2.gz FVXTWRQBHKBPIR-MELADBBJSA-N 1 0 290.367 -0.386 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl)nn1 ZINC001320281923 817312772 /nfs/dbraw/zinc/31/27/72/817312772.db2.gz DZOBVTQPLAHRTN-UMBAGQNISA-N 1 0 299.762 -0.103 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001320283326 817312818 /nfs/dbraw/zinc/31/28/18/817312818.db2.gz XXXZPSMKARZVSO-NSHDSACASA-N 1 0 252.318 -0.405 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001320281232 817312880 /nfs/dbraw/zinc/31/28/80/817312880.db2.gz PAEWNFNSKRFISN-XQQFMLRXSA-N 1 0 266.341 -0.333 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C)[nH]c1=O ZINC001320283928 817313099 /nfs/dbraw/zinc/31/30/99/817313099.db2.gz ZOVLWJJHNIWOBK-SNVBAGLBSA-N 1 0 263.297 -0.591 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001320282327 817313151 /nfs/dbraw/zinc/31/31/51/817313151.db2.gz UEHFTAMPSHIPMN-NEPJUHHUSA-N 1 0 266.341 -0.497 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@H](O)C[NH2+]CC)nn1 ZINC001320284498 817314123 /nfs/dbraw/zinc/31/41/23/817314123.db2.gz UUBNMQVETJQQKO-JTQLQIEISA-N 1 0 267.333 -0.446 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001320284203 817314518 /nfs/dbraw/zinc/31/45/18/817314518.db2.gz TZUBQLMMZWMDGR-ZDUSSCGKSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC001320291650 817315912 /nfs/dbraw/zinc/31/59/12/817315912.db2.gz 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C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1C[NH2+]CC(N)=O ZINC001183947246 821042638 /nfs/dbraw/zinc/04/26/38/821042638.db2.gz KBUSOTONUJGFKM-QWRGUYRKSA-N 1 0 298.412 -0.197 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015304 821045425 /nfs/dbraw/zinc/04/54/25/821045425.db2.gz PKZVBCBKFADNHK-LLVKDONJSA-N 1 0 290.323 -0.837 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001184009438 821045603 /nfs/dbraw/zinc/04/56/03/821045603.db2.gz SZTIRTPXYXZHPG-RYUDHWBXSA-N 1 0 286.397 -0.262 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001184068583 821053862 /nfs/dbraw/zinc/05/38/62/821053862.db2.gz GPAKBSXVMZHIIC-NWDGAFQWSA-N 1 0 284.381 -0.365 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184099275 821055276 /nfs/dbraw/zinc/05/52/76/821055276.db2.gz PIRQDIYOWSSTBX-CHWSQXEVSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C ZINC001184241278 821062753 /nfs/dbraw/zinc/06/27/53/821062753.db2.gz 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COCC#CC[NH2+][C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001281379443 828414377 /nfs/dbraw/zinc/41/43/77/828414377.db2.gz VZIPTFUNJLNVQF-OCCSQVGLSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C(F)F)C[C@@H]1C ZINC001281375823 828414423 /nfs/dbraw/zinc/41/44/23/828414423.db2.gz YBBUPAFWTPISIN-IUCAKERBSA-N 1 0 273.283 -0.563 20 30 CBEDRO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001188294389 822325173 /nfs/dbraw/zinc/32/51/73/822325173.db2.gz MPILBIDENAPVOT-XQQFMLRXSA-N 1 0 286.372 -0.225 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001188294387 822325455 /nfs/dbraw/zinc/32/54/55/822325455.db2.gz MPILBIDENAPVOT-JHJVBQTASA-N 1 0 286.372 -0.225 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001188287600 822326007 /nfs/dbraw/zinc/32/60/07/822326007.db2.gz OOJYQIDPRZNCJI-GFCCVEGCSA-N 1 0 294.355 -0.591 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001188294253 822326391 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CKSHHLCGNKJSBH-JTQLQIEISA-N 1 0 280.328 -0.954 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001281740906 828424382 /nfs/dbraw/zinc/42/43/82/828424382.db2.gz DRAQJQUOAPMZRK-QWRGUYRKSA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001281808793 828424893 /nfs/dbraw/zinc/42/48/93/828424893.db2.gz RMYQRXDHBVGGNB-UHFFFAOYSA-N 1 0 292.339 -0.386 20 30 CBEDRO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)[NH2+]CCOCCO ZINC001282111491 828435942 /nfs/dbraw/zinc/43/59/42/828435942.db2.gz JZGYCHSILHDCCA-GHMZBOCLSA-N 1 0 294.355 -0.008 20 30 CBEDRO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001281921519 828428616 /nfs/dbraw/zinc/42/86/16/828428616.db2.gz NFKLEJYMZHWEEH-NEPJUHHUSA-N 1 0 297.399 -0.162 20 30 CBEDRO CC#CC[NH2+]CC1CC(NC(=O)C[C@H](C)NC(N)=O)C1 ZINC001282002671 828429930 /nfs/dbraw/zinc/42/99/30/828429930.db2.gz OHYUEJKLFLZGLH-UNXYVOJBSA-N 1 0 280.372 -0.059 20 30 CBEDRO C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2CNC(=O)N2)C1 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20 30 CBEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001282097512 828434532 /nfs/dbraw/zinc/43/45/32/828434532.db2.gz SUUHZCZPIIEXAA-NXEZZACHSA-N 1 0 252.322 -0.268 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1=COCCC1 ZINC001282097747 828434675 /nfs/dbraw/zinc/43/46/75/828434675.db2.gz NCGCVOZLSUHGLD-VXGBXAGGSA-N 1 0 293.367 -0.087 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001282100208 828434800 /nfs/dbraw/zinc/43/48/00/828434800.db2.gz VXCSWQMYNLOTTM-MNOVXSKESA-N 1 0 285.344 -0.525 20 30 CBEDRO C[C@@H](NC(=O)C#CC1CC1)[C@@H](C)[NH2+]CCOCCO ZINC001282129202 828435509 /nfs/dbraw/zinc/43/55/09/828435509.db2.gz QGSNMEAYDCOOGV-VXGBXAGGSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001282130901 828436724 /nfs/dbraw/zinc/43/67/24/828436724.db2.gz YWACROYMQRPXEQ-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001282448680 828447289 /nfs/dbraw/zinc/44/72/89/828447289.db2.gz 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/nfs/dbraw/zinc/54/47/67/828544767.db2.gz CBQFQCDUYWCFOJ-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cnn2ncccc12 ZINC001283762487 828545129 /nfs/dbraw/zinc/54/51/29/828545129.db2.gz CBQFQCDUYWCFOJ-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001283765010 828545462 /nfs/dbraw/zinc/54/54/62/828545462.db2.gz PQBWEYGLXPHMRN-RYUDHWBXSA-N 1 0 271.336 -0.880 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001283769508 828546165 /nfs/dbraw/zinc/54/61/65/828546165.db2.gz DQVMNUNBZBSJCU-VXGBXAGGSA-N 1 0 276.340 -0.855 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001283771646 828546479 /nfs/dbraw/zinc/54/64/79/828546479.db2.gz JOAZGXPSGNFYOW-NSHDSACASA-N 1 0 292.339 -0.883 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn(CCC(C)C)nn1 ZINC001283803971 828550134 /nfs/dbraw/zinc/55/01/34/828550134.db2.gz MIMIWTPOBVLIHD-GFCCVEGCSA-N 1 0 293.371 -0.362 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](CC)NC(C)=O ZINC001283803482 828550242 /nfs/dbraw/zinc/55/02/42/828550242.db2.gz GPMXJRSXLZKPEB-RYUDHWBXSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cnn(C)n1 ZINC001283813768 828551767 /nfs/dbraw/zinc/55/17/67/828551767.db2.gz CGDBFMBNGURCOV-VIFPVBQESA-N 1 0 253.306 -0.929 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2c1CCCC2 ZINC001283816417 828552752 /nfs/dbraw/zinc/55/27/52/828552752.db2.gz IRIGGCWINPFWCT-GFCCVEGCSA-N 1 0 290.367 -0.077 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001283824735 828553281 /nfs/dbraw/zinc/55/32/81/828553281.db2.gz NAMAWZBOGXHUSG-QWHCGFSZSA-N 1 0 283.372 -0.763 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc(OC)n1 ZINC001283819763 828553466 /nfs/dbraw/zinc/55/34/66/828553466.db2.gz ZLZHXSLNLQNWTJ-NSHDSACASA-N 1 0 277.324 -0.206 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001283819111 828553740 /nfs/dbraw/zinc/55/37/40/828553740.db2.gz ZCPTUOBAHFQEBI-MNOVXSKESA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)C ZINC001283822367 828553957 /nfs/dbraw/zinc/55/39/57/828553957.db2.gz AFXXIGHMJDXFJM-QWRGUYRKSA-N 1 0 285.388 -0.210 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)C ZINC001283826211 828554006 /nfs/dbraw/zinc/55/40/06/828554006.db2.gz UARAAGSHELOCCY-NSHDSACASA-N 1 0 256.346 -0.251 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1c(C)noc1C ZINC001283828145 828554273 /nfs/dbraw/zinc/55/42/73/828554273.db2.gz ZSHWWMLSNXFDAJ-LBPRGKRZSA-N 1 0 279.340 -0.076 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001283827709 828554725 /nfs/dbraw/zinc/55/47/25/828554725.db2.gz QNMBOORTHLOVDG-CQSZACIVSA-N 1 0 295.383 -0.665 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cnn(C)c1 ZINC001283831927 828555424 /nfs/dbraw/zinc/55/54/24/828555424.db2.gz PRGDVANOBYNXHA-CYBMUJFWSA-N 1 0 278.356 -0.557 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCc1cnn(C)c1 ZINC001283831928 828555685 /nfs/dbraw/zinc/55/56/85/828555685.db2.gz 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ZINC001283928120 828561029 /nfs/dbraw/zinc/56/10/29/828561029.db2.gz QAKSSIRDXITRNB-GHMZBOCLSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001189399617 823753064 /nfs/dbraw/zinc/75/30/64/823753064.db2.gz BBHSYGCSJLDTMB-LLVKDONJSA-N 1 0 251.330 -0.322 20 30 CBEDRO C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21 ZINC001189794167 823774210 /nfs/dbraw/zinc/77/42/10/823774210.db2.gz PFYAYDQQUUHXJF-QWHCGFSZSA-N 1 0 280.372 -0.379 20 30 CBEDRO CCNC(=O)CC(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001189777716 823774412 /nfs/dbraw/zinc/77/44/12/823774412.db2.gz HIOZSXHAVASSTI-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([N@@H+](C)CCOCC)C1 ZINC001189770169 823774785 /nfs/dbraw/zinc/77/47/85/823774785.db2.gz QGRPZUSEYLPTTF-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189935234 823790415 /nfs/dbraw/zinc/79/04/15/823790415.db2.gz YAALNRJPTPYTMQ-GFCCVEGCSA-N 1 0 291.355 -0.389 20 30 CBEDRO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001189932137 823790665 /nfs/dbraw/zinc/79/06/65/823790665.db2.gz CVGKEJGJVUTAJA-NEPJUHHUSA-N 1 0 297.355 -0.170 20 30 CBEDRO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189931911 823791160 /nfs/dbraw/zinc/79/11/60/823791160.db2.gz BGSHWJJOONRODS-NSHDSACASA-N 1 0 261.329 -0.015 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189964723 823793767 /nfs/dbraw/zinc/79/37/67/823793767.db2.gz VGZSOSAKFYWLJM-GFCCVEGCSA-N 1 0 291.355 -0.389 20 30 CBEDRO C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963599 823794511 /nfs/dbraw/zinc/79/45/11/823794511.db2.gz MBJMEJMIADDQER-NSHDSACASA-N 1 0 261.329 -0.015 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001190005355 823796471 /nfs/dbraw/zinc/79/64/71/823796471.db2.gz ZTIAGHMWCYSNGJ-GFCCVEGCSA-N 1 0 280.372 -0.139 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001190115289 823799924 /nfs/dbraw/zinc/79/99/24/823799924.db2.gz 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N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](O)[C@H]([NH3+])C2)cc1 ZINC001238958119 825577039 /nfs/dbraw/zinc/57/70/39/825577039.db2.gz DUQYQUGNJXQMNY-CHWSQXEVSA-N 1 0 295.364 -0.218 20 30 CBEDRO N#Cc1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001238972325 825579083 /nfs/dbraw/zinc/57/90/83/825579083.db2.gz ZHLFSCOOHQIHTN-QWRGUYRKSA-N 1 0 281.337 -0.502 20 30 CBEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001238970291 825579618 /nfs/dbraw/zinc/57/96/18/825579618.db2.gz ISHVRFCSPCOJFV-JOYOIKCWSA-N 1 0 299.327 -0.363 20 30 CBEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246190145 825647966 /nfs/dbraw/zinc/64/79/66/825647966.db2.gz AXOGXRTZQNIQNF-MNOVXSKESA-N 1 0 269.345 -0.438 20 30 CBEDRO COC(=O)[C@H](CS)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246186709 825648631 /nfs/dbraw/zinc/64/86/31/825648631.db2.gz JWLIEJYHQXUZKF-BDAKNGLRSA-N 1 0 259.375 -0.859 20 30 CBEDRO CCOC(=O)[C@@H](C#N)N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246295398 825660444 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C=CCN1CCC[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)C1=O ZINC001251047588 825772012 /nfs/dbraw/zinc/77/20/12/825772012.db2.gz XOUYBJAEICXCGE-KGLIPLIRSA-N 1 0 297.399 -0.554 20 30 CBEDRO COC[C@@H]1C[C@@H](O)CN1C(=O)NCC#CC[NH+](C)C ZINC001251707919 825785943 /nfs/dbraw/zinc/78/59/43/825785943.db2.gz IRVCMTKVLMHJAZ-NWDGAFQWSA-N 1 0 269.345 -0.657 20 30 CBEDRO CC(C)NC(=O)CNC(=O)NCC#CC[NH+](C)C ZINC001251707800 825786034 /nfs/dbraw/zinc/78/60/34/825786034.db2.gz GPKJYXQFOKBBKV-UHFFFAOYSA-N 1 0 254.334 -0.625 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001251821885 825789289 /nfs/dbraw/zinc/78/92/89/825789289.db2.gz ZGOFMVVRJNTZAP-KBPBESRZSA-N 1 0 268.357 -0.596 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CC1(C(=O)OC)CCOCC1 ZINC001251821582 825789829 /nfs/dbraw/zinc/78/98/29/825789829.db2.gz SAALJFHRFQNWPV-LBPRGKRZSA-N 1 0 285.340 -0.444 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001251821897 825789990 /nfs/dbraw/zinc/78/99/90/825789990.db2.gz ZLRGFCNBWZLHNK-RISCZKNCSA-N 1 0 281.308 -0.269 20 30 CBEDRO C#CCOC[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC001251835675 825792164 /nfs/dbraw/zinc/79/21/64/825792164.db2.gz OTUQUJNQXLJZLE-STQMWFEESA-N 1 0 256.346 -0.741 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001251835615 825792682 /nfs/dbraw/zinc/79/26/82/825792682.db2.gz NZHPAVVOXIRHKK-QWHCGFSZSA-N 1 0 255.314 -0.512 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001251844939 825793562 /nfs/dbraw/zinc/79/35/62/825793562.db2.gz YJZCRKQVFDZMIG-IGQOVBAYSA-N 1 0 280.368 -0.301 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001251840579 825793922 /nfs/dbraw/zinc/79/39/22/825793922.db2.gz QPNKKDCJUKUESY-OCCSQVGLSA-N 1 0 266.341 -0.401 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC)C1 ZINC001251840186 825794218 /nfs/dbraw/zinc/79/42/18/825794218.db2.gz NHWMPTYCHPDTFO-UMVBOHGHSA-N 1 0 296.367 -0.776 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001251839488 825794387 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C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001251855353 825797330 /nfs/dbraw/zinc/79/73/30/825797330.db2.gz WRCNIWCECNPHJS-QJPTWQEYSA-N 1 0 252.314 -0.935 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001251858023 825798087 /nfs/dbraw/zinc/79/80/87/825798087.db2.gz PODBANBHDRLNFE-VXGBXAGGSA-N 1 0 255.314 -0.118 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NCC ZINC001251858398 825798502 /nfs/dbraw/zinc/79/85/02/825798502.db2.gz XLMHITBOGHUOPV-RYUDHWBXSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001251858181 825798613 /nfs/dbraw/zinc/79/86/13/825798613.db2.gz SPHIGWGYIPHSQG-STQMWFEESA-N 1 0 277.324 -0.060 20 30 CBEDRO C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001251860104 825798665 /nfs/dbraw/zinc/79/86/65/825798665.db2.gz CTGYWUBJDZIDGG-MJBXVCDLSA-N 1 0 280.368 -0.060 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@]12C[C@@H]1CN(C(C)=O)C2 ZINC001251880512 825800363 /nfs/dbraw/zinc/80/03/63/825800363.db2.gz AYMXCXKJCMJJDD-JHJVBQTASA-N 1 0 252.314 -0.793 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@@H](O)COCC#C ZINC001251896955 825806216 /nfs/dbraw/zinc/80/62/16/825806216.db2.gz QUZKHXKYWDAEEY-CYBMUJFWSA-N 1 0 255.314 -0.747 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@@H](O)c1cccnc1 ZINC001251890602 825801957 /nfs/dbraw/zinc/80/19/57/825801957.db2.gz DLFJRCCCEJTLKC-QWHCGFSZSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccnc(OC)n1 ZINC001251890692 825802013 /nfs/dbraw/zinc/80/20/13/825802013.db2.gz GATQOHIVIZZCLQ-NSHDSACASA-N 1 0 251.286 -0.415 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC001251888729 825802141 /nfs/dbraw/zinc/80/21/41/825802141.db2.gz ZLFSNHXISFLSCZ-KBPBESRZSA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]1N1CCOCC1 ZINC001251896234 825803735 /nfs/dbraw/zinc/80/37/35/825803735.db2.gz DRHNCLIGCSPZPC-QLFBSQMISA-N 1 0 282.384 -0.160 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001251894579 825803746 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825805139 /nfs/dbraw/zinc/80/51/39/825805139.db2.gz SEEXDPFCLUGPIS-GFCCVEGCSA-N 1 0 270.329 -0.183 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CN(c2ccccn2)C1 ZINC001251897209 825805299 /nfs/dbraw/zinc/80/52/99/825805299.db2.gz VPEKIRDRYLVHBM-ZDUSSCGKSA-N 1 0 261.325 -0.130 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC001251896927 825805758 /nfs/dbraw/zinc/80/57/58/825805758.db2.gz QAWNQRGIWSVXOJ-ZDUSSCGKSA-N 1 0 278.308 -0.032 20 30 CBEDRO C#CCOC[C@@H](O)CNC1(C#N)CC[NH+](C)CC1 ZINC001251902976 825806059 /nfs/dbraw/zinc/80/60/59/825806059.db2.gz BQWJCWRPGIIFEU-LBPRGKRZSA-N 1 0 251.330 -0.425 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@H](O)c1ccncc1 ZINC001251903769 825807474 /nfs/dbraw/zinc/80/74/74/825807474.db2.gz OVYBAXLIEYUDIF-STQMWFEESA-N 1 0 250.298 -0.285 20 30 CBEDRO C=CCN1CCC[C@@H]([NH2+]C[C@@H](O)C(=O)OC)C1=O ZINC001252445366 825862461 /nfs/dbraw/zinc/86/24/61/825862461.db2.gz SUNLPNQQFUVYMJ-NXEZZACHSA-N 1 0 256.302 -0.713 20 30 CBEDRO C=CCOC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)OC)C1 ZINC001252460514 825867391 /nfs/dbraw/zinc/86/73/91/825867391.db2.gz FWUBAXFKAVIGCJ-OBJOEFQTSA-N 1 0 285.340 -0.329 20 30 CBEDRO C=CCOC[C@H](O)C[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001252461250 825868013 /nfs/dbraw/zinc/86/80/13/825868013.db2.gz ODFQIDOWHLDTLI-FRRDWIJNSA-N 1 0 259.346 -0.385 20 30 CBEDRO C=CCOC[C@H](O)C[NH+]1CCN(CCOC)CC1 ZINC001252464144 825868060 /nfs/dbraw/zinc/86/80/60/825868060.db2.gz VCKUFUSEYCOOJI-CYBMUJFWSA-N 1 0 258.362 -0.186 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001252461856 825868091 /nfs/dbraw/zinc/86/80/91/825868091.db2.gz WAGCFDPIDXAMLU-UPJWGTAASA-N 1 0 259.346 -0.385 20 30 CBEDRO C=CCOC[C@H](O)C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001252468756 825869168 /nfs/dbraw/zinc/86/91/68/825869168.db2.gz PSQWWJUGWGRRIO-SECBINFHSA-N 1 0 281.312 -0.191 20 30 CBEDRO C=CCOC[C@@H](O)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001252469010 825869763 /nfs/dbraw/zinc/86/97/63/825869763.db2.gz 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ZINC001252554680 825874617 /nfs/dbraw/zinc/87/46/17/825874617.db2.gz JRFPZOVEUYTYLW-CYBMUJFWSA-N 1 0 255.362 -0.371 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001252552744 825874778 /nfs/dbraw/zinc/87/47/78/825874778.db2.gz ZOEMGOXSZDKDDA-OBJOEFQTSA-N 1 0 268.357 -0.040 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]CCNC(=O)N1CCOCC1 ZINC001252573697 825876151 /nfs/dbraw/zinc/87/61/51/825876151.db2.gz IQYAHIGEIVTLTF-GFCCVEGCSA-N 1 0 257.334 -0.445 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]CCOCCOCCOCCO ZINC001252575346 825876211 /nfs/dbraw/zinc/87/62/11/825876211.db2.gz YDPQYTFECCVTIU-CYBMUJFWSA-N 1 0 277.361 -0.445 20 30 CBEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC001252580464 825876923 /nfs/dbraw/zinc/87/69/23/825876923.db2.gz CDGVYAMQMYTTAI-AUTRQRHGSA-N 1 0 258.318 -0.421 20 30 CBEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001252583070 825877041 /nfs/dbraw/zinc/87/70/41/825877041.db2.gz CMKYRFNQQFKWDK-GWCFXTLKSA-N 1 0 271.361 -0.471 20 30 CBEDRO N#C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC001252948028 825895919 /nfs/dbraw/zinc/89/59/19/825895919.db2.gz ILFMMHLWESPYKK-ZFWWWQNUSA-N 1 0 288.351 -0.410 20 30 CBEDRO C#CCN1CCN(C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253187064 825902272 /nfs/dbraw/zinc/90/22/72/825902272.db2.gz BKJYLHMCVAZYGF-AWEZNQCLSA-N 1 0 253.390 -0.060 20 30 CBEDRO COc1ccnc(C(=N)NC[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC001253404695 825913345 /nfs/dbraw/zinc/91/33/45/825913345.db2.gz CRBFUBDODAXJNW-VIFPVBQESA-N 1 0 281.360 -0.061 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001253615372 825919155 /nfs/dbraw/zinc/91/91/55/825919155.db2.gz ICCBZZXXMJMESH-OLZOCXBDSA-N 1 0 291.351 -0.664 20 30 CBEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC001253602160 825919211 /nfs/dbraw/zinc/91/92/11/825919211.db2.gz DBWVFCBYKDDXQE-SNVBAGLBSA-N 1 0 256.327 -0.030 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001253606938 825919531 /nfs/dbraw/zinc/91/95/31/825919531.db2.gz OOGCBLYHUDWWOW-JTQLQIEISA-N 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ZINC001261425698 826511353 /nfs/dbraw/zinc/51/13/53/826511353.db2.gz IQKBJTKAHQKGOW-UHFFFAOYSA-N 1 0 279.344 -0.151 20 30 CBEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC001261424434 826511546 /nfs/dbraw/zinc/51/15/46/826511546.db2.gz UPOMTNPFSANADU-GWCFXTLKSA-N 1 0 282.319 -0.339 20 30 CBEDRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC001261458053 826515878 /nfs/dbraw/zinc/51/58/78/826515878.db2.gz JIOCCZFTUONCDL-LBPRGKRZSA-N 1 0 269.301 -0.984 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001261462659 826517615 /nfs/dbraw/zinc/51/76/15/826517615.db2.gz YJZJAHGXTGPJJF-WPRPVWTQSA-N 1 0 259.269 -0.978 20 30 CBEDRO C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H](C)[NH2+]C)C1=O ZINC001261491743 826524538 /nfs/dbraw/zinc/52/45/38/826524538.db2.gz DYQHTMSUNPIDTE-VIFPVBQESA-N 1 0 296.327 -0.923 20 30 CBEDRO C=CCN(C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001261606285 826544355 /nfs/dbraw/zinc/54/43/55/826544355.db2.gz FGNSLEAMQCZRAB-ZDUSSCGKSA-N 1 0 295.383 -0.312 20 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BVJIOZJGXHYPHN-SNVBAGLBSA-N 1 0 267.333 -0.513 20 30 CBEDRO N#CCc1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)n1 ZINC001262032316 826626100 /nfs/dbraw/zinc/62/61/00/826626100.db2.gz PXGBWZVFQDYWBL-UHFFFAOYSA-N 1 0 287.323 -0.092 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001262204791 826661603 /nfs/dbraw/zinc/66/16/03/826661603.db2.gz BCDHRSBJOTWSER-GHMZBOCLSA-N 1 0 251.330 -0.479 20 30 CBEDRO COC(=O)[C@@H]1C[NH+](CCOCCC#N)C[C@H]1C(=O)OC ZINC001262483350 826693484 /nfs/dbraw/zinc/69/34/84/826693484.db2.gz CCXBPDMIGYKRRM-GHMZBOCLSA-N 1 0 284.312 -0.189 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001262544157 826702998 /nfs/dbraw/zinc/70/29/98/826702998.db2.gz VLWFXHBDQIRSKX-QJPTWQEYSA-N 1 0 281.356 -0.296 20 30 CBEDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001262552091 826707830 /nfs/dbraw/zinc/70/78/30/826707830.db2.gz OFICZHOYOCBENV-NOZJJQNGSA-N 1 0 282.319 -0.435 20 30 CBEDRO COc1ncc(CC[NH2+]C[C@@H](O)CN(C)CCC#N)cn1 ZINC001262558450 826708753 /nfs/dbraw/zinc/70/87/53/826708753.db2.gz GDRSKHDZQQJIQS-CYBMUJFWSA-N 1 0 293.371 -0.176 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)c1c(C)nn(C)c1C ZINC001262563097 826709748 /nfs/dbraw/zinc/70/97/48/826709748.db2.gz UWGCZTGUGRKITI-LBPRGKRZSA-N 1 0 278.356 -0.201 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001262566270 826710456 /nfs/dbraw/zinc/71/04/56/826710456.db2.gz LQGAENMCQQZZTD-QWRGUYRKSA-N 1 0 254.334 -0.939 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCc1nnc2n1CCCC2 ZINC001262572148 826711475 /nfs/dbraw/zinc/71/14/75/826711475.db2.gz MHXWPZWFAVRZJX-UHFFFAOYSA-N 1 0 275.356 -0.114 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC[S@](C)=O ZINC001262569168 826711536 /nfs/dbraw/zinc/71/15/36/826711536.db2.gz QTKZQWWKONZEOK-DIFFPNOSSA-N 1 0 261.391 -0.449 20 30 CBEDRO C#C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1CCCO1 ZINC001262579888 826712712 /nfs/dbraw/zinc/71/27/12/826712712.db2.gz CIFDRKLGXKBYRE-OLZOCXBDSA-N 1 0 280.372 -0.628 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCCC(=O)N(CC)CC 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C=CC[NH2+]C[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001266800975 827067777 /nfs/dbraw/zinc/06/77/77/827067777.db2.gz IFZAZSKFLPHKLW-JTQLQIEISA-N 1 0 264.333 -0.162 20 30 CBEDRO C=C(Cl)C[NH2+]CCN(C)C(=O)c1nnn(C)n1 ZINC001266806244 827070568 /nfs/dbraw/zinc/07/05/68/827070568.db2.gz QMUMMURYFSTADL-UHFFFAOYSA-N 1 0 258.713 -0.376 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001266823221 827070660 /nfs/dbraw/zinc/07/06/60/827070660.db2.gz NPLXGLUJRPQAHP-GFCCVEGCSA-N 1 0 291.351 -0.403 20 30 CBEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001266843020 827074721 /nfs/dbraw/zinc/07/47/21/827074721.db2.gz ZEEPSFRUMIQKKY-NSHDSACASA-N 1 0 264.333 -0.170 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1cscn1 ZINC001266854452 827074756 /nfs/dbraw/zinc/07/47/56/827074756.db2.gz PCPNZHYAOWYULR-UHFFFAOYSA-N 1 0 294.380 -0.517 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCc1cn[nH]c1 ZINC001266870872 827076362 /nfs/dbraw/zinc/07/63/62/827076362.db2.gz VFSSAIFCFKXWBF-UHFFFAOYSA-N 1 0 291.355 -0.860 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001266864690 827076818 /nfs/dbraw/zinc/07/68/18/827076818.db2.gz LKYZAOPUNWETAD-MNOVXSKESA-N 1 0 266.345 -0.137 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001266910165 827080036 /nfs/dbraw/zinc/08/00/36/827080036.db2.gz SVZBOHCXBVGMLO-IDKOKCKLSA-N 1 0 252.318 -0.352 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001266910331 827080048 /nfs/dbraw/zinc/08/00/48/827080048.db2.gz YXQIFVHSKLXJAN-VOMCLLRMSA-N 1 0 291.355 -0.197 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cnccn1 ZINC001266918552 827082212 /nfs/dbraw/zinc/08/22/12/827082212.db2.gz AQLLGULTJFRWDQ-WDEREUQCSA-N 1 0 289.339 -0.678 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cnn(C)c1 ZINC001266922941 827083431 /nfs/dbraw/zinc/08/34/31/827083431.db2.gz XHIANICXNNGKBR-MNOVXSKESA-N 1 0 291.355 -0.734 20 30 CBEDRO CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CSCC#N)C1=O ZINC001266923916 827084947 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C[C@@H]([NH2+][C@@H](C)CNC(=O)C#CC1CC1)C(=O)N(C)C ZINC001266937983 827091005 /nfs/dbraw/zinc/09/10/05/827091005.db2.gz RJGDLKNJNBHJJB-WDEREUQCSA-N 1 0 265.357 -0.029 20 30 CBEDRO CO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)C1CC1 ZINC001266935730 827091712 /nfs/dbraw/zinc/09/17/12/827091712.db2.gz NEBPWDNYJNCJBT-JOYOIKCWSA-N 1 0 282.344 -0.855 20 30 CBEDRO COCC#CC[NH2+]CCN(C)C(=O)Cc1nonc1C ZINC001266935988 827092040 /nfs/dbraw/zinc/09/20/40/827092040.db2.gz OGPLGAQNQBIMAY-UHFFFAOYSA-N 1 0 280.328 -0.382 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CNC(=O)c1ccncc1 ZINC001266941856 827092786 /nfs/dbraw/zinc/09/27/86/827092786.db2.gz UFWYJVJNMRIJLA-LBPRGKRZSA-N 1 0 288.351 -0.071 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)CN(C)C(=O)C1CC1 ZINC001266941563 827093700 /nfs/dbraw/zinc/09/37/00/827093700.db2.gz FJINZPJIAPXMBM-JTQLQIEISA-N 1 0 251.330 -0.418 20 30 CBEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001266950662 827094245 /nfs/dbraw/zinc/09/42/45/827094245.db2.gz 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ZINC001266974879 827101549 /nfs/dbraw/zinc/10/15/49/827101549.db2.gz WYFLEFDNMFUWIF-VXGBXAGGSA-N 1 0 290.371 -0.257 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)N(C)C ZINC001266976515 827101656 /nfs/dbraw/zinc/10/16/56/827101656.db2.gz WRCAHODTPZCDNI-SNVBAGLBSA-N 1 0 292.405 -0.947 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1nccs1 ZINC001266981833 827102584 /nfs/dbraw/zinc/10/25/84/827102584.db2.gz RNFKATGGXJLLMH-ZJUUUORDSA-N 1 0 294.380 -0.011 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001266979683 827102627 /nfs/dbraw/zinc/10/26/27/827102627.db2.gz KGBGNDJVLTUUGJ-NSHDSACASA-N 1 0 276.340 -0.006 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)c2cnon2)C1=O ZINC001266979599 827102685 /nfs/dbraw/zinc/10/26/85/827102685.db2.gz IYOSAPLYAPMREV-VHSXEESVSA-N 1 0 293.327 -0.436 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CN(C)S(=O)(=O)CC ZINC001266983194 827102751 /nfs/dbraw/zinc/10/27/51/827102751.db2.gz HXNCEWBDRGATRA-NSHDSACASA-N 1 0 291.417 -0.062 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1oncc1C ZINC001266982898 827102865 /nfs/dbraw/zinc/10/28/65/827102865.db2.gz FNOUVGIRAJAAGO-JTQLQIEISA-N 1 0 278.312 -0.560 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+]C[C@@H](O)COC)cn1 ZINC001266985410 827102996 /nfs/dbraw/zinc/10/29/96/827102996.db2.gz KXUSNGMCYQOADT-BXUZGUMPSA-N 1 0 291.351 -0.222 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001266991890 827104003 /nfs/dbraw/zinc/10/40/03/827104003.db2.gz UTQGTCLJANUDEP-VIFPVBQESA-N 1 0 268.317 -0.839 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc(CC)on1 ZINC001266986508 827104077 /nfs/dbraw/zinc/10/40/77/827104077.db2.gz YFHPEELNXFCDCN-JTQLQIEISA-N 1 0 292.339 -0.306 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001267009914 827106025 /nfs/dbraw/zinc/10/60/25/827106025.db2.gz AUGILOMNCYGZCA-LBPRGKRZSA-N 1 0 295.383 -0.216 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)C1(C(=O)NC)CCC1 ZINC001267004958 827106462 /nfs/dbraw/zinc/10/64/62/827106462.db2.gz NJDMTGAYVHXESE-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO CCCCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267008058 827106487 /nfs/dbraw/zinc/10/64/87/827106487.db2.gz ZYMBPJXVCHANJX-LBPRGKRZSA-N 1 0 296.371 -0.367 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC001267009166 827106496 /nfs/dbraw/zinc/10/64/96/827106496.db2.gz RQXGGARVCYXNHK-LBPRGKRZSA-N 1 0 288.351 -0.123 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001267005431 827106721 /nfs/dbraw/zinc/10/67/21/827106721.db2.gz GYROOHDOKXGXFN-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CC[NH2+]CCN(C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001267014083 827107466 /nfs/dbraw/zinc/10/74/66/827107466.db2.gz NFKHFJKATBGNDU-LBPRGKRZSA-N 1 0 289.401 -0.308 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)c1cnn(C)c1OC ZINC001267016834 827107506 /nfs/dbraw/zinc/10/75/06/827107506.db2.gz BILFMYPKZCYJMF-UHFFFAOYSA-N 1 0 250.302 -0.277 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001267016435 827107515 /nfs/dbraw/zinc/10/75/15/827107515.db2.gz DJCSTPKZZMCJCL-NWDGAFQWSA-N 1 0 263.341 -0.179 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001267018617 827107775 /nfs/dbraw/zinc/10/77/75/827107775.db2.gz FPCDKIQOMBGLHB-SMDDNHRTSA-N 1 0 263.341 -0.274 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001267029296 827108619 /nfs/dbraw/zinc/10/86/19/827108619.db2.gz CZMQZUSGORNSGI-NSHDSACASA-N 1 0 291.355 -0.236 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001267037749 827109548 /nfs/dbraw/zinc/10/95/48/827109548.db2.gz KNKCOMUWVJSAKR-MNOVXSKESA-N 1 0 265.313 -0.444 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001267034924 827109943 /nfs/dbraw/zinc/10/99/43/827109943.db2.gz LKYNVDOTIMGHDE-WDEREUQCSA-N 1 0 266.345 -0.328 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001267042664 827110429 /nfs/dbraw/zinc/11/04/29/827110429.db2.gz BFVUUZRSPBTDIY-NSHDSACASA-N 1 0 289.401 -0.450 20 30 CBEDRO C=C(C)C[NH2+]CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001267051380 827110676 /nfs/dbraw/zinc/11/06/76/827110676.db2.gz FZCYOPXMUDTEDY-UHFFFAOYSA-N 1 0 267.329 -0.241 20 30 CBEDRO C=CCCn1cc(C(=O)N2CC[C@@H](C[NH2+]CCO)C2)nn1 ZINC001267060755 827111621 /nfs/dbraw/zinc/11/16/21/827111621.db2.gz HVHXIENLNIXNDK-LBPRGKRZSA-N 1 0 293.371 -0.102 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001267056155 827111657 /nfs/dbraw/zinc/11/16/57/827111657.db2.gz VEUNYBLKRFKTFH-NEPJUHHUSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001267059977 827111936 /nfs/dbraw/zinc/11/19/36/827111936.db2.gz AFKCLKVYDDLRAZ-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001267067724 827112395 /nfs/dbraw/zinc/11/23/95/827112395.db2.gz RVIXANHAJRMSJS-GFCCVEGCSA-N 1 0 288.351 -0.145 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001267073347 827112653 /nfs/dbraw/zinc/11/26/53/827112653.db2.gz RPINMKDHSJXQGI-BDAKNGLRSA-N 1 0 288.298 -0.092 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001267068141 827113097 /nfs/dbraw/zinc/11/30/97/827113097.db2.gz VEQHEODRPNYWJY-SNVBAGLBSA-N 1 0 254.334 -0.331 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267072576 827113119 /nfs/dbraw/zinc/11/31/19/827113119.db2.gz FGLXRQYYKWQENB-CQSZACIVSA-N 1 0 290.367 -0.029 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(F)F ZINC001267116311 827114084 /nfs/dbraw/zinc/11/40/84/827114084.db2.gz FDSRFMAOBVOFAB-QMMMGPOBSA-N 1 0 261.272 -0.515 20 30 CBEDRO C#CCOCCC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001267129085 827116112 /nfs/dbraw/zinc/11/61/12/827116112.db2.gz ILAGTSHYPYGKHY-NEPJUHHUSA-N 1 0 281.356 -0.601 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001267140542 827116948 /nfs/dbraw/zinc/11/69/48/827116948.db2.gz QNHFHFCMISYSPD-VIFPVBQESA-N 1 0 284.360 -0.122 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1cnco1 ZINC001267140666 827116997 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COCC1(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268076885 827253915 /nfs/dbraw/zinc/25/39/15/827253915.db2.gz VFOJXYQZGKFKQU-LLVKDONJSA-N 1 0 296.371 -0.511 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccncn1 ZINC001268089902 827254474 /nfs/dbraw/zinc/25/44/74/827254474.db2.gz PADQJLYCEDGTJL-SNVBAGLBSA-N 1 0 290.327 -0.834 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccncn1 ZINC001268090090 827255909 /nfs/dbraw/zinc/25/59/09/827255909.db2.gz QPDOFGUNYGYKNF-LLVKDONJSA-N 1 0 291.355 -0.171 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268099345 827255937 /nfs/dbraw/zinc/25/59/37/827255937.db2.gz CVOWANUXUQVCLK-VIFPVBQESA-N 1 0 280.328 -0.278 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cnon1 ZINC001268090057 827256462 /nfs/dbraw/zinc/25/64/62/827256462.db2.gz QHCXIUIZEINWEI-UWVGGRQHSA-N 1 0 295.343 -0.190 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001268130087 827258472 /nfs/dbraw/zinc/25/84/72/827258472.db2.gz AWVRMSDNKLCNSA-MNOVXSKESA-N 1 0 266.345 -0.625 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001268143394 827258758 /nfs/dbraw/zinc/25/87/58/827258758.db2.gz VCFWUHBVHQTKKA-NWDGAFQWSA-N 1 0 283.372 -0.109 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001268152616 827258897 /nfs/dbraw/zinc/25/88/97/827258897.db2.gz ZYEPRSXQUGFSRX-ZDUSSCGKSA-N 1 0 295.383 -0.128 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001268143393 827259439 /nfs/dbraw/zinc/25/94/39/827259439.db2.gz VCFWUHBVHQTKKA-NEPJUHHUSA-N 1 0 283.372 -0.109 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001268138050 827259589 /nfs/dbraw/zinc/25/95/89/827259589.db2.gz OZJUHCCDIAAIDO-VXGBXAGGSA-N 1 0 291.355 -0.105 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001268202061 827260964 /nfs/dbraw/zinc/26/09/64/827260964.db2.gz ABVQIBUXJVCHCC-LLVKDONJSA-N 1 0 264.333 -0.573 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCO1)C(C)C ZINC001268203067 827261672 /nfs/dbraw/zinc/26/16/72/827261672.db2.gz LYIXKWKAAVNKPO-STQMWFEESA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)CN1CCOCC1)C(C)C ZINC001268209652 827261881 /nfs/dbraw/zinc/26/18/81/827261881.db2.gz OMJSJYNFCPVDEB-CYBMUJFWSA-N 1 0 267.373 -0.318 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001268204273 827261906 /nfs/dbraw/zinc/26/19/06/827261906.db2.gz UZOXYLABYCHTCN-NEPJUHHUSA-N 1 0 296.371 -0.464 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CN1CCCC1=O)C(C)C ZINC001268204285 827262254 /nfs/dbraw/zinc/26/22/54/827262254.db2.gz UZRIJERIMCOTHL-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCO1)C(C)C ZINC001268203064 827262261 /nfs/dbraw/zinc/26/22/61/827262261.db2.gz LYIXKWKAAVNKPO-CHWSQXEVSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001268212787 827262471 /nfs/dbraw/zinc/26/24/71/827262471.db2.gz NDEDGJBLFISZDJ-KBPBESRZSA-N 1 0 281.400 -0.193 20 30 CBEDRO COCC#CC[NH2+][C@@H](CNC(=O)Cn1cncn1)C(C)C ZINC001268227074 827264048 /nfs/dbraw/zinc/26/40/48/827264048.db2.gz PTCOIBFYLHWYTJ-ZDUSSCGKSA-N 1 0 293.371 -0.342 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)C[C@H]1CCNC1=O ZINC001268239179 827267252 /nfs/dbraw/zinc/26/72/52/827267252.db2.gz QPSHOOJSCRVFIM-GFCCVEGCSA-N 1 0 265.357 -0.074 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001268242122 827267186 /nfs/dbraw/zinc/26/71/86/827267186.db2.gz HGSFREMDACWJEZ-UHFFFAOYSA-N 1 0 267.333 -0.842 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001268245883 827269620 /nfs/dbraw/zinc/26/96/20/827269620.db2.gz TUIXXFOMBOPSPD-RYUDHWBXSA-N 1 0 265.357 -0.089 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001268245885 827270493 /nfs/dbraw/zinc/27/04/93/827270493.db2.gz TUIXXFOMBOPSPD-VXGBXAGGSA-N 1 0 265.357 -0.089 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001268255390 827273399 /nfs/dbraw/zinc/27/33/99/827273399.db2.gz AGCMXAUBLOYGBO-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/79/35/75/827793575.db2.gz OTJNSVPRCORMGN-NEPJUHHUSA-N 1 0 281.356 -0.865 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001272414496 827794180 /nfs/dbraw/zinc/79/41/80/827794180.db2.gz PFMPNZBMOJJCCU-ZDUSSCGKSA-N 1 0 276.340 -0.637 20 30 CBEDRO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C)C(=O)N(C)C ZINC001272414116 827795070 /nfs/dbraw/zinc/79/50/70/827795070.db2.gz LSIOURQIDJDFHC-NWDGAFQWSA-N 1 0 297.399 -0.421 20 30 CBEDRO CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001272414706 827795763 /nfs/dbraw/zinc/79/57/63/827795763.db2.gz RSAVAVYNSJZTJE-ZDUSSCGKSA-N 1 0 292.383 -0.001 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001272415522 827796162 /nfs/dbraw/zinc/79/61/62/827796162.db2.gz YORYGMDKIUZAPJ-OLZOCXBDSA-N 1 0 266.341 -0.497 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001272429950 827796595 /nfs/dbraw/zinc/79/65/95/827796595.db2.gz HDYFCNUTYALUPQ-LBPRGKRZSA-N 1 0 265.357 -0.041 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001272415035 827796633 /nfs/dbraw/zinc/79/66/33/827796633.db2.gz VCPWGLXHXLRAFB-JTQLQIEISA-N 1 0 290.310 -0.252 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001272435819 827797076 /nfs/dbraw/zinc/79/70/76/827797076.db2.gz XCTVOQMPGMRZGE-RYUDHWBXSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1(COC)CCOCC1 ZINC001272435039 827797279 /nfs/dbraw/zinc/79/72/79/827797279.db2.gz NURLWXAMHMNYCH-CYBMUJFWSA-N 1 0 298.383 -0.480 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001272435715 827797536 /nfs/dbraw/zinc/79/75/36/827797536.db2.gz WOBYAFYMFGDARM-VIFPVBQESA-N 1 0 290.327 -0.391 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001272444456 827798765 /nfs/dbraw/zinc/79/87/65/827798765.db2.gz UHLAJVIHSAKDAZ-QWHCGFSZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNCC#N ZINC001272455730 827800598 /nfs/dbraw/zinc/80/05/98/827800598.db2.gz VIAPDJQJBMQWNC-GHMZBOCLSA-N 1 0 254.334 -0.939 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001272460577 827802322 /nfs/dbraw/zinc/80/23/22/827802322.db2.gz DJDAMYALDJAVHS-LLVKDONJSA-N 1 0 263.297 -0.596 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001272460508 827803230 /nfs/dbraw/zinc/80/32/30/827803230.db2.gz BMYFEUNOGVRGPV-SNVBAGLBSA-N 1 0 280.328 -0.468 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(OC)nc1 ZINC001272469051 827804707 /nfs/dbraw/zinc/80/47/07/827804707.db2.gz CQNLUTPPDPXVEX-ZDUSSCGKSA-N 1 0 291.351 -0.277 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1coc(C(N)=O)c1 ZINC001272487641 827805582 /nfs/dbraw/zinc/80/55/82/827805582.db2.gz FHUGQWFCSPNBJZ-JTQLQIEISA-N 1 0 279.296 -0.918 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272487871 827806042 /nfs/dbraw/zinc/80/60/42/827806042.db2.gz ICFCNHBVJZVDBE-SECBINFHSA-N 1 0 268.317 -0.705 20 30 CBEDRO C#CCN1C[C@]2(CC[N@@H+](CCCC(=O)OC)C2)OCC1=O ZINC001272498345 827807394 /nfs/dbraw/zinc/80/73/94/827807394.db2.gz LOQPLKVDTHCGSP-OAHLLOKOSA-N 1 0 294.351 -0.124 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001272497501 827808764 /nfs/dbraw/zinc/80/87/64/827808764.db2.gz XXVUWJKGRGIAPB-SECBINFHSA-N 1 0 268.317 -0.618 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001272495251 827808584 /nfs/dbraw/zinc/80/85/84/827808584.db2.gz BVHUFCCQCQNXRT-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1(CC)CC1 ZINC001272514025 827811306 /nfs/dbraw/zinc/81/13/06/827811306.db2.gz RZMCWONJPAUBAI-RYUDHWBXSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001272513028 827811428 /nfs/dbraw/zinc/81/14/28/827811428.db2.gz NPJOKXRZQBTHGI-AAEUAGOBSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001272519622 827811998 /nfs/dbraw/zinc/81/19/98/827811998.db2.gz CQJZIYUBMUARQR-VIFPVBQESA-N 1 0 280.328 -0.630 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001272530448 827814673 /nfs/dbraw/zinc/81/46/73/827814673.db2.gz UWMDPBDCNJEHFZ-ZDUSSCGKSA-N 1 0 293.367 -0.200 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272529640 827815704 /nfs/dbraw/zinc/81/57/04/827815704.db2.gz MLHDXLWYLRJDQU-OLZOCXBDSA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1=O ZINC001272534601 827816268 /nfs/dbraw/zinc/81/62/68/827816268.db2.gz MLGCWSDQLZZZDN-HNNXBMFYSA-N 1 0 291.351 -0.451 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)nn(C)c1OC ZINC001272537765 827818178 /nfs/dbraw/zinc/81/81/78/827818178.db2.gz XOHQVDCMXMPGBS-JTQLQIEISA-N 1 0 280.328 -0.949 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)nn1C ZINC001272552302 827819077 /nfs/dbraw/zinc/81/90/77/827819077.db2.gz CTGVDEIKBBOPFV-LLVKDONJSA-N 1 0 264.329 -0.704 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001272552870 827819594 /nfs/dbraw/zinc/81/95/94/827819594.db2.gz KXBDIMRTAWUREO-DGCLKSJQSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001272554538 827820552 /nfs/dbraw/zinc/82/05/52/827820552.db2.gz VZIBGYHSGCVTPB-VIFPVBQESA-N 1 0 266.301 -0.649 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001272573761 827823977 /nfs/dbraw/zinc/82/39/77/827823977.db2.gz ALKIIQQOWUOMLZ-LBPRGKRZSA-N 1 0 277.324 -0.348 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001272590651 827825684 /nfs/dbraw/zinc/82/56/84/827825684.db2.gz AEMCHAQQEFCGAP-CHWSQXEVSA-N 1 0 283.372 -0.360 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001272592956 827825706 /nfs/dbraw/zinc/82/57/06/827825706.db2.gz RZYCLNXNTILVAH-ZFWWWQNUSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001272585072 827825797 /nfs/dbraw/zinc/82/57/97/827825797.db2.gz SSXDUMOASCLJMT-QWHCGFSZSA-N 1 0 295.383 -0.523 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001272592955 827826202 /nfs/dbraw/zinc/82/62/02/827826202.db2.gz RZYCLNXNTILVAH-UKRRQHHQSA-N 1 0 297.399 -0.373 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001272592014 827826396 /nfs/dbraw/zinc/82/63/96/827826396.db2.gz KZJNWZYJUBFBBD-NSHDSACASA-N 1 0 292.339 -0.563 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)CS(=O)(=O)CC)C1 ZINC001272654631 827829343 /nfs/dbraw/zinc/82/93/43/827829343.db2.gz ZBWRPUKAKFOJDZ-GFCCVEGCSA-N 1 0 286.397 -0.118 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cscn1 ZINC001272679985 827830878 /nfs/dbraw/zinc/83/08/78/827830878.db2.gz JRZWQQRVHZAMED-JTQLQIEISA-N 1 0 294.380 -0.010 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1CCCO1 ZINC001272665952 827832702 /nfs/dbraw/zinc/83/27/02/827832702.db2.gz RYMGPLXPXWVXFP-RYUDHWBXSA-N 1 0 296.371 -0.320 20 30 CBEDRO C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H](C)C#N ZINC001272688387 827833368 /nfs/dbraw/zinc/83/33/68/827833368.db2.gz JZCWEBVIYYDABW-IUCAKERBSA-N 1 0 280.332 -0.748 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cncnc1 ZINC001272738374 827837222 /nfs/dbraw/zinc/83/72/22/827837222.db2.gz QEDZMGNAKTUPCW-NSHDSACASA-N 1 0 289.339 -0.676 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001272738457 827837962 /nfs/dbraw/zinc/83/79/62/827837962.db2.gz QMTLICDBLLHKLS-MNOVXSKESA-N 1 0 284.360 -0.823 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001272772213 827839433 /nfs/dbraw/zinc/83/94/33/827839433.db2.gz CZDXMKLMBGJOSN-VXGBXAGGSA-N 1 0 254.330 -0.091 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(CCOC)nn1 ZINC001272772572 827839482 /nfs/dbraw/zinc/83/94/82/827839482.db2.gz GEXAJSHCTXOZHN-LLVKDONJSA-N 1 0 279.344 -0.344 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1cn(CCOC)nn1 ZINC001272772573 827839928 /nfs/dbraw/zinc/83/99/28/827839928.db2.gz GEXAJSHCTXOZHN-NSHDSACASA-N 1 0 279.344 -0.344 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001272815369 827840638 /nfs/dbraw/zinc/84/06/38/827840638.db2.gz WLQQAMNXKWTAJR-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO C#CC[NH+]1CCC2(CN(C(=O)CNC(=O)OC)C2)CC1 ZINC001272791425 827840707 /nfs/dbraw/zinc/84/07/07/827840707.db2.gz BCAGHDIBUNDNPD-UHFFFAOYSA-N 1 0 279.340 -0.100 20 30 CBEDRO COC1CC(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001272854008 827846226 /nfs/dbraw/zinc/84/62/26/827846226.db2.gz KNNQMEPTRPGMNT-VOMCLLRMSA-N 1 0 296.371 -0.464 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1cn[nH]n1 ZINC001272882400 827848479 /nfs/dbraw/zinc/84/84/79/827848479.db2.gz RRKBDGOHAGCJHH-UWVGGRQHSA-N 1 0 294.359 -0.407 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)CN2CCCC2=O)CCC1 ZINC001273040218 827858210 /nfs/dbraw/zinc/85/82/10/827858210.db2.gz FTSXHBMMWFIPLV-UHFFFAOYSA-N 1 0 263.341 -0.130 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)COCCOC)CCC1 ZINC001273054888 827859434 /nfs/dbraw/zinc/85/94/34/827859434.db2.gz DFWUPKAGXKHCRX-UHFFFAOYSA-N 1 0 254.330 -0.089 20 30 CBEDRO C#CCN1C(=O)COCC12CN(C[C@H]1COC(C)(C)O1)C2 ZINC001273080070 827862755 /nfs/dbraw/zinc/86/27/55/827862755.db2.gz 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C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@]2(C)CCOC2)CC1 ZINC001277209745 828179509 /nfs/dbraw/zinc/17/95/09/828179509.db2.gz SRPPHXVHLUNUHP-CQSZACIVSA-N 1 0 293.367 -0.599 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@]2(C)CCOC2)CC1 ZINC001277209744 828179584 /nfs/dbraw/zinc/17/95/84/828179584.db2.gz SRPPHXVHLUNUHP-AWEZNQCLSA-N 1 0 293.367 -0.599 20 30 CBEDRO C[C@H](C#N)C(=O)NCCOCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001277481139 828189702 /nfs/dbraw/zinc/18/97/02/828189702.db2.gz MLTVGGUPWGMFLE-VXGBXAGGSA-N 1 0 298.387 -0.313 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001277542567 828194442 /nfs/dbraw/zinc/19/44/42/828194442.db2.gz VIMIATJTBMRJKV-CQSZACIVSA-N 1 0 297.399 -0.595 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)[C@H]1CN(C)C(=O)N1)C(C)C ZINC001277582263 828195940 /nfs/dbraw/zinc/19/59/40/828195940.db2.gz NIVKKQOZLHFKHS-VXGBXAGGSA-N 1 0 280.372 -0.236 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1cnnn1C ZINC001277603574 828197526 /nfs/dbraw/zinc/19/75/26/828197526.db2.gz GJAGWKAJXDBBLW-UHFFFAOYSA-N 1 0 279.344 -0.436 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001277604378 828197733 /nfs/dbraw/zinc/19/77/33/828197733.db2.gz VURJLXHVIWUQEM-ZDUSSCGKSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001277629163 828198936 /nfs/dbraw/zinc/19/89/36/828198936.db2.gz FVDMMGDNRFMMKO-KBPBESRZSA-N 1 0 279.384 -0.223 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 ZINC001277614929 828198949 /nfs/dbraw/zinc/19/89/49/828198949.db2.gz GAOSMXGURANRPO-LBPRGKRZSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)C(N)=O ZINC001277662110 828202212 /nfs/dbraw/zinc/20/22/12/828202212.db2.gz DYNMCFZZOWNSQB-NSHDSACASA-N 1 0 265.357 -0.042 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CNC(=O)NC ZINC001277655670 828202239 /nfs/dbraw/zinc/20/22/39/828202239.db2.gz RCKGHHKAHARUJL-NSHDSACASA-N 1 0 266.345 -0.625 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCNC1=O ZINC001277677207 828203376 /nfs/dbraw/zinc/20/33/76/828203376.db2.gz FUPDUGWKUFWONU-STQMWFEESA-N 1 0 277.368 -0.028 20 30 CBEDRO COCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001277714843 828204299 /nfs/dbraw/zinc/20/42/99/828204299.db2.gz PNWMBWNXRIKCKZ-QWRGUYRKSA-N 1 0 282.344 -0.758 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](C)C1 ZINC001277739150 828205935 /nfs/dbraw/zinc/20/59/35/828205935.db2.gz FWTJKRDTDQIOIF-VXGBXAGGSA-N 1 0 276.344 -0.335 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001277739977 828206226 /nfs/dbraw/zinc/20/62/26/828206226.db2.gz LWHDXEPIXAVQMA-NWDGAFQWSA-N 1 0 276.344 -0.335 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@@H](C)C1 ZINC001277785152 828208158 /nfs/dbraw/zinc/20/81/58/828208158.db2.gz FPDJKUBOAYGUIM-QWRGUYRKSA-N 1 0 266.345 -0.353 20 30 CBEDRO N#CCSCC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001277805531 828210038 /nfs/dbraw/zinc/21/00/38/828210038.db2.gz URTQOJACBNUJTE-MNOVXSKESA-N 1 0 296.396 -0.288 20 30 CBEDRO C[C@@H](CN(C)C(=O)C#CC1CC1)[NH2+]CCS(C)(=O)=O ZINC001277819006 828210436 /nfs/dbraw/zinc/21/04/36/828210436.db2.gz GMNQAPSQUCSNCP-NSHDSACASA-N 1 0 286.397 -0.119 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001277819027 828210630 /nfs/dbraw/zinc/21/06/30/828210630.db2.gz GUIZBPCNOSLBLY-NXEZZACHSA-N 1 0 254.334 -0.497 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001277822435 828212096 /nfs/dbraw/zinc/21/20/96/828212096.db2.gz FTIDWTTWVFBHAV-QWRGUYRKSA-N 1 0 266.345 -0.185 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001277832404 828212818 /nfs/dbraw/zinc/21/28/18/828212818.db2.gz SBXRUVWBLMMWGH-KBPBESRZSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001277861903 828214058 /nfs/dbraw/zinc/21/40/58/828214058.db2.gz FWAFUPRRXUZFKK-NWDGAFQWSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001277863757 828214375 /nfs/dbraw/zinc/21/43/75/828214375.db2.gz RUDXMTBJLJCFCH-NSHDSACASA-N 1 0 281.360 -0.406 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001277855666 828214810 /nfs/dbraw/zinc/21/48/10/828214810.db2.gz XRPCUSRZZLCWGU-VXGBXAGGSA-N 1 0 265.357 -0.076 20 30 CBEDRO CC#CCCCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001277906740 828218032 /nfs/dbraw/zinc/21/80/32/828218032.db2.gz FGQDJIMHFBYFPR-NSHDSACASA-N 1 0 296.371 -0.189 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001277901007 828218316 /nfs/dbraw/zinc/21/83/16/828218316.db2.gz UGBKRKOHNFFUEW-LBPRGKRZSA-N 1 0 282.388 -0.569 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001277917681 828218654 /nfs/dbraw/zinc/21/86/54/828218654.db2.gz VHUFNIXRCMGBEH-QWRGUYRKSA-N 1 0 251.330 -0.111 20 30 CBEDRO C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)C(N)=O ZINC001277923188 828219564 /nfs/dbraw/zinc/21/95/64/828219564.db2.gz WYJBFVZKPSBBNB-SSDOTTSWSA-N 1 0 278.150 -0.183 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1ccnnc1)[NH2+]CC(=O)NCC#N ZINC001277945604 828221375 /nfs/dbraw/zinc/22/13/75/828221375.db2.gz FHSFUNNITNXTRD-JTQLQIEISA-N 1 0 290.327 -0.834 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001277941131 828221455 /nfs/dbraw/zinc/22/14/55/828221455.db2.gz LRMKXPNQAJWJTC-TUAOUCFPSA-N 1 0 263.341 -0.288 20 30 CBEDRO C[C@H](O)C[NH+]1CC2(CN(C(=O)C3(C#N)CCOCC3)C2)C1 ZINC001277954846 828222784 /nfs/dbraw/zinc/22/27/84/828222784.db2.gz IEYIMVINOXGNOT-LBPRGKRZSA-N 1 0 293.367 -0.168 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1nc[nH]n1 ZINC001277966933 828223577 /nfs/dbraw/zinc/22/35/77/828223577.db2.gz YCFMCLAFPHUYPS-NSHDSACASA-N 1 0 277.328 -0.351 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)CC)C1 ZINC001278423198 828270318 /nfs/dbraw/zinc/27/03/18/828270318.db2.gz IHRRYRHTUIOCLW-WDEREUQCSA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCCCC1 ZINC001278040532 828236011 /nfs/dbraw/zinc/23/60/11/828236011.db2.gz BNTBNDMUHBWVOA-CYBMUJFWSA-N 1 0 295.383 -0.617 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cc(CC)n[nH]1 ZINC001278047338 828236924 /nfs/dbraw/zinc/23/69/24/828236924.db2.gz CKPQYVBXXULBSF-SNVBAGLBSA-N 1 0 252.318 -0.162 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)n1cccn1 ZINC001278048509 828238583 /nfs/dbraw/zinc/23/85/83/828238583.db2.gz QGNNCHLQBJPUPZ-MNOVXSKESA-N 1 0 252.318 -0.303 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001278070009 828241379 /nfs/dbraw/zinc/24/13/79/828241379.db2.gz FXPNPWJISUDUJL-RYUDHWBXSA-N 1 0 284.356 -0.028 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001278069536 828241405 /nfs/dbraw/zinc/24/14/05/828241405.db2.gz BFKVMIOVBNVEJG-UWVGGRQHSA-N 1 0 272.349 -0.924 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001278077871 828241774 /nfs/dbraw/zinc/24/17/74/828241774.db2.gz OWTMRCCQFINCPZ-CYBMUJFWSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=C)C ZINC001278077235 828242270 /nfs/dbraw/zinc/24/22/70/828242270.db2.gz HDTTWGXYFDETNW-RYUDHWBXSA-N 1 0 254.330 -0.333 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC1CC1 ZINC001278077872 828242767 /nfs/dbraw/zinc/24/27/67/828242767.db2.gz OWTMRCCQFINCPZ-ZDUSSCGKSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1[nH]ncc1C(F)(F)F ZINC001278094805 828245353 /nfs/dbraw/zinc/24/53/53/828245353.db2.gz ZTBYGHSUPJKNES-ZETCQYMHSA-N 1 0 290.245 -0.258 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278093808 828245411 /nfs/dbraw/zinc/24/54/11/828245411.db2.gz RFPCPQKFDLVZQE-NSHDSACASA-N 1 0 294.355 -0.078 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001278094713 828245676 /nfs/dbraw/zinc/24/56/76/828245676.db2.gz YGHVWCIHQZANQA-VXGBXAGGSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn2ncccc12 ZINC001278093736 828245720 /nfs/dbraw/zinc/24/57/20/828245720.db2.gz QCKCBOPSCSDPQJ-SNVBAGLBSA-N 1 0 273.296 -0.957 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001278104936 828247256 /nfs/dbraw/zinc/24/72/56/828247256.db2.gz BYFBXIGRWJOKQR-QWHCGFSZSA-N 1 0 290.367 -0.465 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099831 828248274 /nfs/dbraw/zinc/24/82/74/828248274.db2.gz PXRAZKMAPRDKNQ-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)COCC(F)F ZINC001278785019 828288365 /nfs/dbraw/zinc/28/83/65/828288365.db2.gz ACJIEPNCZODFNW-SNVBAGLBSA-N 1 0 278.299 -0.300 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)Cc1c(C)nn(C)c1C ZINC001278119091 828249985 /nfs/dbraw/zinc/24/99/85/828249985.db2.gz HGSHYRYAAOASDI-LBPRGKRZSA-N 1 0 278.356 -0.721 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn2cccnc12 ZINC001278129612 828250647 /nfs/dbraw/zinc/25/06/47/828250647.db2.gz OWFUBLJHYVUERF-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001278138207 828251893 /nfs/dbraw/zinc/25/18/93/828251893.db2.gz LAUWOBIESKAEFZ-WCQYABFASA-N 1 0 292.383 -0.222 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CCOC)c1 ZINC001278147944 828252462 /nfs/dbraw/zinc/25/24/62/828252462.db2.gz ORWPVQPEKFQFKU-ZDUSSCGKSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C(C)C ZINC001278165718 828253870 /nfs/dbraw/zinc/25/38/70/828253870.db2.gz ZEHZLPQBXMSBBJ-RYUDHWBXSA-N 1 0 283.372 -0.905 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cn1ccc(C)cc1=O ZINC001278164405 828254424 /nfs/dbraw/zinc/25/44/24/828254424.db2.gz DWBRDSSEXMZPRU-ZDUSSCGKSA-N 1 0 293.367 -0.200 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(COC)on1 ZINC001278164856 828254475 /nfs/dbraw/zinc/25/44/75/828254475.db2.gz OJOCFBFOZZSHPA-JTQLQIEISA-N 1 0 281.312 -0.475 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001278179881 828256655 /nfs/dbraw/zinc/25/66/55/828256655.db2.gz WBKLAXDQIWNXLK-QWHCGFSZSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1coc(CCC)n1 ZINC001278180183 828256817 /nfs/dbraw/zinc/25/68/17/828256817.db2.gz ZCZPNQCUVMXEBI-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)COc1ccccc1 ZINC001278186200 828257021 /nfs/dbraw/zinc/25/70/21/828257021.db2.gz ADKBXATYHKVYEQ-LBPRGKRZSA-N 1 0 262.309 -0.235 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cnn2cc[nH]c12 ZINC001278187525 828257197 /nfs/dbraw/zinc/25/71/97/828257197.db2.gz RZYQIPZNSRAXLD-SECBINFHSA-N 1 0 263.301 -0.471 20 30 CBEDRO C#CCN(C(=O)[C@@H]1CCC(=O)N1)C1CC[NH+](CC#C)CC1 ZINC001278194361 828258018 /nfs/dbraw/zinc/25/80/18/828258018.db2.gz LFRYFGYURQIPJU-AWEZNQCLSA-N 1 0 287.363 -0.176 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001278201273 828258322 /nfs/dbraw/zinc/25/83/22/828258322.db2.gz DARXQCSVSPYULV-GHMZBOCLSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001278201380 828258384 /nfs/dbraw/zinc/25/83/84/828258384.db2.gz FSWZYYNAHLOCTI-DRZSPHRISA-N 1 0 283.372 -0.763 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)Cn1ccccc1=O ZINC001278194535 828258618 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C#CC[NH2+]CCC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001330849313 886595805 /nfs/dbraw/zinc/59/58/05/886595805.db2.gz DGVQWYPQOLYREY-ZDUSSCGKSA-N 1 0 294.399 -0.732 20 30 CBEDRO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001331038427 886652531 /nfs/dbraw/zinc/65/25/31/886652531.db2.gz FXURXPNFDVSASP-LBPRGKRZSA-N 1 0 278.356 -0.386 20 30 CBEDRO COCC#CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001331084994 886669357 /nfs/dbraw/zinc/66/93/57/886669357.db2.gz JNGRXLPCOAQVFV-UHFFFAOYSA-N 1 0 268.357 -0.012 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)[C@@H](C)NC(C)=O ZINC001331093310 886671523 /nfs/dbraw/zinc/67/15/23/886671523.db2.gz HYGHSYUFKMLBNC-GFCCVEGCSA-N 1 0 283.372 -0.401 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)[C@H](C)NC(C)=O ZINC001331093312 886672477 /nfs/dbraw/zinc/67/24/77/886672477.db2.gz HYGHSYUFKMLBNC-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(CC#N)CC1 ZINC001331089874 886672774 /nfs/dbraw/zinc/67/27/74/886672774.db2.gz NJIDDNZAIQVYFO-UWVGGRQHSA-N 1 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C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001331440167 886808157 /nfs/dbraw/zinc/80/81/57/886808157.db2.gz QTXCVUVEHIKTFH-NWDGAFQWSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cn(CCOC)nn1 ZINC001331437585 886808307 /nfs/dbraw/zinc/80/83/07/886808307.db2.gz BNMNELIFEQAYNP-NSHDSACASA-N 1 0 279.344 -0.392 20 30 CBEDRO CCn1ncc(C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)n1 ZINC001331443195 886809635 /nfs/dbraw/zinc/80/96/35/886809635.db2.gz RITJMVBUCDSOIK-LBPRGKRZSA-N 1 0 293.371 -0.002 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC001331487432 886821279 /nfs/dbraw/zinc/82/12/79/886821279.db2.gz GSSXQQCJCWHDGK-SNVBAGLBSA-N 1 0 271.386 -0.559 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001331486828 886823317 /nfs/dbraw/zinc/82/33/17/886823317.db2.gz HJJZCZYDRNAJBN-GFCCVEGCSA-N 1 0 280.372 -0.993 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001331488905 886823767 /nfs/dbraw/zinc/82/37/67/886823767.db2.gz 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ZINC001331645317 886879894 /nfs/dbraw/zinc/87/98/94/886879894.db2.gz WNQGAXHGGKSDIY-NSHDSACASA-N 1 0 274.386 -0.119 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1c(C)noc1C ZINC001331666231 886893401 /nfs/dbraw/zinc/89/34/01/886893401.db2.gz MWKVBMBNJMQZBK-NSHDSACASA-N 1 0 265.313 -0.005 20 30 CBEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC001331676046 886900882 /nfs/dbraw/zinc/90/08/82/886900882.db2.gz MXLXJODMPCAQAT-NSHDSACASA-N 1 0 280.328 -0.031 20 30 CBEDRO CCc1cc(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)[nH]n1 ZINC001331683064 886903432 /nfs/dbraw/zinc/90/34/32/886903432.db2.gz LDMWEYOQTPVGSI-GFCCVEGCSA-N 1 0 294.355 -0.698 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1cncn1C ZINC001331684822 886903768 /nfs/dbraw/zinc/90/37/68/886903768.db2.gz QMJWKJDFTZKJIR-UWVGGRQHSA-N 1 0 265.317 -0.854 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnc(C)[nH]1 ZINC001331685219 886904264 /nfs/dbraw/zinc/90/42/64/886904264.db2.gz RHQQTXZOBIPMEI-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO CCc1cc(C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)[nH]n1 ZINC001331683066 886905048 /nfs/dbraw/zinc/90/50/48/886905048.db2.gz LDMWEYOQTPVGSI-LBPRGKRZSA-N 1 0 294.355 -0.698 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001331698192 886916285 /nfs/dbraw/zinc/91/62/85/886916285.db2.gz VGBHOMKJLOCDFY-NXEZZACHSA-N 1 0 256.302 -0.808 20 30 CBEDRO C=CCOCC[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001331703632 886916730 /nfs/dbraw/zinc/91/67/30/886916730.db2.gz CIKKTHQWEWMDFG-CYBMUJFWSA-N 1 0 268.357 -0.085 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1ncccc1O ZINC001331706154 886920380 /nfs/dbraw/zinc/92/03/80/886920380.db2.gz JQUFZFQQCSGSDD-SECBINFHSA-N 1 0 251.286 -0.347 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnnn1CC ZINC001331708394 886923690 /nfs/dbraw/zinc/92/36/90/886923690.db2.gz RNLSDYYNMXJOPD-JTQLQIEISA-N 1 0 265.317 -0.998 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1ccoc1 ZINC001331707691 886924112 /nfs/dbraw/zinc/92/41/12/886924112.db2.gz OBGHPZRJXBJDOL-ZDUSSCGKSA-N 1 0 280.324 -0.461 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](CO)[NH2+]CC(=C)C ZINC001331709047 886924791 /nfs/dbraw/zinc/92/47/91/886924791.db2.gz UWPPFCONUXCDCR-YPMHNXCESA-N 1 0 256.346 -0.044 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001331710793 886927494 /nfs/dbraw/zinc/92/74/94/886927494.db2.gz CDLNHRSQPQHQQG-ZYHUDNBSSA-N 1 0 254.330 -0.499 20 30 CBEDRO CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001331710879 886928540 /nfs/dbraw/zinc/92/85/40/886928540.db2.gz CYIAUPSSYSLEFX-OLZOCXBDSA-N 1 0 293.367 -0.913 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC001331712780 886930026 /nfs/dbraw/zinc/93/00/26/886930026.db2.gz QVDFTQCTAZSTOV-SECBINFHSA-N 1 0 260.301 -0.449 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001331713113 886930846 /nfs/dbraw/zinc/93/08/46/886930846.db2.gz WGXCXMCUWWJJFJ-VXGBXAGGSA-N 1 0 290.367 -0.080 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccnc2ccnn21 ZINC001331724216 886935169 /nfs/dbraw/zinc/93/51/69/886935169.db2.gz CQXQRCGYRYUKSF-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cc[nH]c1 ZINC001331723346 886937075 /nfs/dbraw/zinc/93/70/75/886937075.db2.gz BTZRZLDQIVMIOP-LBPRGKRZSA-N 1 0 265.313 -0.655 20 30 CBEDRO N#CCN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001331725413 886940115 /nfs/dbraw/zinc/94/01/15/886940115.db2.gz NTESNIGERVIZIR-OCCSQVGLSA-N 1 0 294.399 -0.016 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc2n[nH]nc21 ZINC001331727404 886940604 /nfs/dbraw/zinc/94/06/04/886940604.db2.gz YHTBYMNBQPDCFU-JTQLQIEISA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331732290 886942243 /nfs/dbraw/zinc/94/22/43/886942243.db2.gz WHOYOUAYEBHCOX-QWRGUYRKSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cccc(C(N)=O)c1 ZINC001331739499 886948480 /nfs/dbraw/zinc/94/84/80/886948480.db2.gz MAHVFDVMNKQGGU-LBPRGKRZSA-N 1 0 277.324 -0.348 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001331740123 886950306 /nfs/dbraw/zinc/95/03/06/886950306.db2.gz NYWOOMVXJHZEPX-VXGBXAGGSA-N 1 0 276.340 -0.855 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1n[nH]c2c1CCC2 ZINC001331738823 886950394 /nfs/dbraw/zinc/95/03/94/886950394.db2.gz DICOVTHFKHOYRE-SNVBAGLBSA-N 1 0 276.340 -0.398 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(OCC)no1 ZINC001331759356 886961891 /nfs/dbraw/zinc/96/18/91/886961891.db2.gz PRUCULPGZKKTEW-JTQLQIEISA-N 1 0 281.312 -0.223 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001331773377 886970391 /nfs/dbraw/zinc/97/03/91/886970391.db2.gz UWPVTTYYZRXUSP-WDEREUQCSA-N 1 0 293.323 -0.160 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001331788731 886980732 /nfs/dbraw/zinc/98/07/32/886980732.db2.gz YXURCGQWPOMJQM-SECBINFHSA-N 1 0 280.328 -0.630 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1nccc1C ZINC001331789100 886982240 /nfs/dbraw/zinc/98/22/40/886982240.db2.gz FMGMHEHYMRMMHY-LBPRGKRZSA-N 1 0 264.329 -0.718 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001331788732 886982784 /nfs/dbraw/zinc/98/27/84/886982784.db2.gz YXURCGQWPOMJQM-VIFPVBQESA-N 1 0 280.328 -0.630 20 30 CBEDRO N#C[C@]1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CCCOC1 ZINC001331788214 886982882 /nfs/dbraw/zinc/98/28/82/886982882.db2.gz UDSSXNPTIGAUCY-DGCLKSJQSA-N 1 0 267.329 -0.510 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)nn(C)c1OC ZINC001331789331 886983321 /nfs/dbraw/zinc/98/33/21/886983321.db2.gz HOPXBQJGYRNJAN-LLVKDONJSA-N 1 0 294.355 -0.559 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1ccnc1 ZINC001331791967 886986313 /nfs/dbraw/zinc/98/63/13/886986313.db2.gz XUIBNBTYFFQMHX-QWHCGFSZSA-N 1 0 278.356 -0.076 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl)nn1 ZINC001331804312 886987604 /nfs/dbraw/zinc/98/76/04/886987604.db2.gz MDUZKBDBHXBOMU-HMDXOVGESA-N 1 0 299.762 -0.103 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1scnc1COC ZINC001331802356 886988241 /nfs/dbraw/zinc/98/82/41/886988241.db2.gz BCOBVXUALAGOHW-SNVBAGLBSA-N 1 0 297.380 -0.007 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1scnc1COC ZINC001331802381 886988751 /nfs/dbraw/zinc/98/87/51/886988751.db2.gz BMTLTVHRKCBECE-SNVBAGLBSA-N 1 0 297.380 -0.007 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001331806202 886992272 /nfs/dbraw/zinc/99/22/72/886992272.db2.gz WMRUWOLTYQDGKT-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001331827512 887002414 /nfs/dbraw/zinc/00/24/14/887002414.db2.gz ZPSJEQAQALFTNL-CHWSQXEVSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)c1cccnc1 ZINC001331826979 887002589 /nfs/dbraw/zinc/00/25/89/887002589.db2.gz WRYWGFQOMHXGPY-DGCLKSJQSA-N 1 0 261.325 -0.115 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001331839127 887009249 /nfs/dbraw/zinc/00/92/49/887009249.db2.gz BNTHZVVADJFWFN-CYBMUJFWSA-N 1 0 291.351 -0.419 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001331843450 887009348 /nfs/dbraw/zinc/00/93/48/887009348.db2.gz VMLJKFZWJUDFLP-SNVBAGLBSA-N 1 0 278.312 -0.953 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001331849485 887012156 /nfs/dbraw/zinc/01/21/56/887012156.db2.gz BQCAXDWVBFSJOS-ZYHUDNBSSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001331862284 887016665 /nfs/dbraw/zinc/01/66/65/887016665.db2.gz BWLSVHCACJSQKZ-NEPJUHHUSA-N 1 0 281.356 -0.403 20 30 CBEDRO C[NH2+]Cc1cn([C@@H](C)C(=O)N(C)CCC#N)nn1 ZINC001331873083 887021907 /nfs/dbraw/zinc/02/19/07/887021907.db2.gz HOXOPNOSPJWSGU-VIFPVBQESA-N 1 0 250.306 -0.069 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)CC)[C@@H]1C ZINC001331897754 887035409 /nfs/dbraw/zinc/03/54/09/887035409.db2.gz SAXBAGYEXMMHLK-GHMZBOCLSA-N 1 0 289.401 -0.309 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)C[C@H]2CCNC2=O)CC1 ZINC001331912082 887042305 /nfs/dbraw/zinc/04/23/05/887042305.db2.gz PRHOSBKAZDUVJI-SNVBAGLBSA-N 1 0 264.329 -0.383 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001331941661 887053901 /nfs/dbraw/zinc/05/39/01/887053901.db2.gz XJNDLXWYEDFLKU-WDEREUQCSA-N 1 0 294.355 -0.307 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001331953131 887058993 /nfs/dbraw/zinc/05/89/93/887058993.db2.gz FPNBRTSZCGXNJT-WCQYABFASA-N 1 0 283.372 -0.096 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001331956443 887060685 /nfs/dbraw/zinc/06/06/85/887060685.db2.gz DEZIYJKYSZBFCJ-WDEREUQCSA-N 1 0 267.329 -0.055 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CSCC#N)C1 ZINC001331956090 887061114 /nfs/dbraw/zinc/06/11/14/887061114.db2.gz AFAPURYYAJDFNK-VHSXEESVSA-N 1 0 284.385 -0.432 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC001331964990 887068236 /nfs/dbraw/zinc/06/82/36/887068236.db2.gz AHAQIYDMUDCGPY-NWDGAFQWSA-N 1 0 295.383 -0.014 20 30 CBEDRO CCNC(=O)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001331976065 887070421 /nfs/dbraw/zinc/07/04/21/887070421.db2.gz IWUPCQIHVGMRLS-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001331976070 887072871 /nfs/dbraw/zinc/07/28/71/887072871.db2.gz IWUPCQIHVGMRLS-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C=C(C)C[C@@H](NC(=O)COCC[NH3+])C(=O)OCC ZINC001332032698 887086635 /nfs/dbraw/zinc/08/66/35/887086635.db2.gz NQLKOJNITRSVBI-SNVBAGLBSA-N 1 0 258.318 -0.024 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001332028717 887086859 /nfs/dbraw/zinc/08/68/59/887086859.db2.gz CRJZMMWCESLYRJ-VXGBXAGGSA-N 1 0 276.344 -0.335 20 30 CBEDRO C[NH+](C)CCn1nccc1C(=O)N[C@@H](C#N)CO ZINC001332133962 887124968 /nfs/dbraw/zinc/12/49/68/887124968.db2.gz YLNGXZHOCNLWLG-VIFPVBQESA-N 1 0 251.290 -0.941 20 30 CBEDRO COCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001332221345 887159417 /nfs/dbraw/zinc/15/94/17/887159417.db2.gz MITZQRICDLIMPD-GHMZBOCLSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)COCC)C1 ZINC001332234591 887165704 /nfs/dbraw/zinc/16/57/04/887165704.db2.gz DIRFYCGWERJVDV-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001332238314 887167027 /nfs/dbraw/zinc/16/70/27/887167027.db2.gz DSFUSQSSYHRHSR-MNOVXSKESA-N 1 0 296.371 -0.962 20 30 CBEDRO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001332281260 887183978 /nfs/dbraw/zinc/18/39/78/887183978.db2.gz MHJFZBHAATUDNP-VHSXEESVSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001332288728 887186157 /nfs/dbraw/zinc/18/61/57/887186157.db2.gz RTOOWLPPBPLBES-NXEZZACHSA-N 1 0 269.370 -0.583 20 30 CBEDRO C(=NNC1=[NH+]CCN1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001332320659 887200307 /nfs/dbraw/zinc/20/03/07/887200307.db2.gz XBQZTNZOWXQMLT-VIFPVBQESA-N 1 0 263.305 -0.803 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)Cc1cnn(C)c1 ZINC001332357614 887221634 /nfs/dbraw/zinc/22/16/34/887221634.db2.gz BDCGAJSMNQHYQA-GFCCVEGCSA-N 1 0 264.329 -0.947 20 30 CBEDRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001332356847 887222743 /nfs/dbraw/zinc/22/27/43/887222743.db2.gz VDSQKZQISDCGFV-CQSZACIVSA-N 1 0 296.371 -0.726 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)CC1(C)C ZINC001332404953 887264530 /nfs/dbraw/zinc/26/45/30/887264530.db2.gz NJWSQHXXUNVHAK-VXGBXAGGSA-N 1 0 292.383 -0.140 20 30 CBEDRO C[NH2+]CCN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)C(C)C ZINC001332461800 887297254 /nfs/dbraw/zinc/29/72/54/887297254.db2.gz ICJBQELWYBOKGK-NSHDSACASA-N 1 0 282.344 -0.806 20 30 CBEDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)C1N=CC=CC1=O ZINC001332478862 887308603 /nfs/dbraw/zinc/30/86/03/887308603.db2.gz RVZIIHLMAOQTAH-YAWLZAOSSA-N 1 0 292.339 -0.277 20 30 CBEDRO C=CCn1nnnc1N1CCC[C@](O)(C[NH+](C)C)C1 ZINC001332490702 887316310 /nfs/dbraw/zinc/31/63/10/887316310.db2.gz YCMMKDZTEUVXOS-LBPRGKRZSA-N 1 0 266.349 -0.248 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001332490996 887316708 /nfs/dbraw/zinc/31/67/08/887316708.db2.gz PNPSMLSDSHAQCE-VIFPVBQESA-N 1 0 268.342 -0.416 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001332492485 887319670 /nfs/dbraw/zinc/31/96/70/887319670.db2.gz ZYIDIEUHWZPKDU-NWDGAFQWSA-N 1 0 254.330 -0.545 20 30 CBEDRO CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001332502659 887322712 /nfs/dbraw/zinc/32/27/12/887322712.db2.gz BYOKNWZFOISGJM-JTQLQIEISA-N 1 0 250.302 -0.071 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001332502785 887322888 /nfs/dbraw/zinc/32/28/88/887322888.db2.gz CQPLHKFRURSEER-GFCCVEGCSA-N 1 0 264.329 -0.006 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001332504785 887325570 /nfs/dbraw/zinc/32/55/70/887325570.db2.gz SMYNIQBYCJJCRK-ZDUSSCGKSA-N 1 0 278.356 -0.605 20 30 CBEDRO CCCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001332505253 887325705 /nfs/dbraw/zinc/32/57/05/887325705.db2.gz VNNLESNQHIPAKB-ZDUSSCGKSA-N 1 0 297.399 -0.419 20 30 CBEDRO 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ZINC001333268370 887576012 /nfs/dbraw/zinc/57/60/12/887576012.db2.gz DTDDVQPUJFIKFC-LLVKDONJSA-N 1 0 265.313 -0.806 20 30 CBEDRO CC1(C)CNC(=O)[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001333275593 887580147 /nfs/dbraw/zinc/58/01/47/887580147.db2.gz HICRBPKYVRRBJF-LBPRGKRZSA-N 1 0 263.341 -0.370 20 30 CBEDRO C[C@@H](C#N)OCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC001333365201 887609771 /nfs/dbraw/zinc/60/97/71/887609771.db2.gz IFQZUFJNOCUJOZ-QWRGUYRKSA-N 1 0 267.329 -0.200 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001333362413 887611578 /nfs/dbraw/zinc/61/15/78/887611578.db2.gz YSPCYIIHPIVGDS-NSHDSACASA-N 1 0 269.345 -0.355 20 30 CBEDRO CCN(C(=O)C(=O)N1CCC(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC001333474728 887654224 /nfs/dbraw/zinc/65/42/24/887654224.db2.gz PNPFTPITSRREFP-GFCCVEGCSA-N 1 0 278.356 -0.041 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC001333597287 887709802 /nfs/dbraw/zinc/70/98/02/887709802.db2.gz PCIQPEMUGUENEP-LLVKDONJSA-N 1 0 267.329 -0.827 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001333610096 887716192 /nfs/dbraw/zinc/71/61/92/887716192.db2.gz DLORKIDJCHETHZ-CYBMUJFWSA-N 1 0 294.399 -0.568 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001333751070 887758751 /nfs/dbraw/zinc/75/87/51/887758751.db2.gz KBJZZOPLQWDWCH-NXEZZACHSA-N 1 0 260.359 -0.299 20 30 CBEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CS(N)(=O)=O)C2)C1=O ZINC001333799206 887775548 /nfs/dbraw/zinc/77/55/48/887775548.db2.gz AKWLGZLVUKHYTB-WDEREUQCSA-N 1 0 287.385 -0.616 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NC1(C(N)=O)CCOCC1 ZINC001334239511 887901074 /nfs/dbraw/zinc/90/10/74/887901074.db2.gz TUJMUIIZUVBCCJ-UHFFFAOYSA-N 1 0 269.345 -0.355 20 30 CBEDRO C=CC[NH+]1CCC(N2C(=O)N[C@H](CO)C2=O)CC1 ZINC001334370306 887938032 /nfs/dbraw/zinc/93/80/32/887938032.db2.gz IAJBTPZHYIWWEA-SNVBAGLBSA-N 1 0 253.302 -0.451 20 30 CBEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001334433437 888233000 /nfs/dbraw/zinc/23/30/00/888233000.db2.gz IMXBAHUVLFSJOP-HZSPNIEDSA-N 1 0 290.367 -0.434 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001334527123 888258984 /nfs/dbraw/zinc/25/89/84/888258984.db2.gz LWJMNIDYCMXQDI-VXGBXAGGSA-N 1 0 295.383 -0.360 20 30 CBEDRO C#CCN(C(=O)C(=O)N[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC001334615664 888272940 /nfs/dbraw/zinc/27/29/40/888272940.db2.gz QIALCGBBUOCKJP-GFCCVEGCSA-N 1 0 293.367 -0.553 20 30 CBEDRO N#CC[C@@H](O)CN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001334676602 888286355 /nfs/dbraw/zinc/28/63/55/888286355.db2.gz QYNGJBSCRQBIRE-UPJWGTAASA-N 1 0 253.346 -0.208 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1 ZINC001334724923 888298934 /nfs/dbraw/zinc/29/89/34/888298934.db2.gz ZBMXBDWUHUKPFK-GARJFASQSA-N 1 0 269.345 -0.090 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC001334759907 888312836 /nfs/dbraw/zinc/31/28/36/888312836.db2.gz XYGJTAFRICWYJR-SMDDNHRTSA-N 1 0 294.355 -0.533 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cn(C)cn1 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284.747 -0.223 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001507220315 921752148 /nfs/dbraw/zinc/75/21/48/921752148.db2.gz ALZYBOOKPWHMOD-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001507220318 921752583 /nfs/dbraw/zinc/75/25/83/921752583.db2.gz ALZYBOOKPWHMOD-VXGBXAGGSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(Cl)n(C)n1 ZINC001507217269 921752932 /nfs/dbraw/zinc/75/29/32/921752932.db2.gz YSDDVRZXNLZZIS-MRVPVSSYSA-N 1 0 270.720 -0.613 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001507219276 921753600 /nfs/dbraw/zinc/75/36/00/921753600.db2.gz PTWHQNLZFUKDEP-SNVBAGLBSA-N 1 0 279.296 -0.918 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1(C)CCC1 ZINC001507222194 921755665 /nfs/dbraw/zinc/75/56/65/921755665.db2.gz NGGWQGBQSKPVOL-NWDGAFQWSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1cn(CC(N)=O)nn1 ZINC001467727499 915242640 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CC[C@@H](CNC(=O)C#CC(C)C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481810427 916994474 /nfs/dbraw/zinc/99/44/74/916994474.db2.gz RUZHIGKPGIYUFG-MNOVXSKESA-N 1 0 296.371 -0.286 20 30 CBEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001481856217 917006511 /nfs/dbraw/zinc/00/65/11/917006511.db2.gz QDAMXWXEARVGMB-VIFPVBQESA-N 1 0 296.327 -0.923 20 30 CBEDRO CC[C@H](CNC(=O)Cc1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001481862180 917007110 /nfs/dbraw/zinc/00/71/10/917007110.db2.gz SOJSYRJPTKLNNM-SNVBAGLBSA-N 1 0 292.343 -0.924 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001481860830 917008696 /nfs/dbraw/zinc/00/86/96/917008696.db2.gz FTUYLUSSFWTBLQ-SNVBAGLBSA-N 1 0 262.313 -0.155 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1cnon1 ZINC001481866384 917010801 /nfs/dbraw/zinc/01/08/01/917010801.db2.gz XPLPGJURQNYCAB-UWVGGRQHSA-N 1 0 295.343 -0.142 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@](C)(NC(C)=O)C1CC1 ZINC001481913842 917022208 /nfs/dbraw/zinc/02/22/08/917022208.db2.gz 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C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001482275001 917108975 /nfs/dbraw/zinc/10/89/75/917108975.db2.gz DXFDKRZVIPOACA-JTQLQIEISA-N 1 0 282.344 -0.579 20 30 CBEDRO C[C@@H](C[NH2+]CCOCCO)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001482274006 917109868 /nfs/dbraw/zinc/10/98/68/917109868.db2.gz WZEGUFZHKAJADD-NSHDSACASA-N 1 0 294.355 -0.055 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nnn(C)c1C ZINC001482268208 917110002 /nfs/dbraw/zinc/11/00/02/917110002.db2.gz GBFFVORPMRHJOF-LLVKDONJSA-N 1 0 293.371 -0.177 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001482283488 917112407 /nfs/dbraw/zinc/11/24/07/917112407.db2.gz GDHDDRFQJJBEEK-GFCCVEGCSA-N 1 0 283.372 -0.449 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C#CC(C)C ZINC001482282107 917112435 /nfs/dbraw/zinc/11/24/35/917112435.db2.gz VFDYLWZOAXVANF-ZDUSSCGKSA-N 1 0 277.368 -0.168 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C#CC(C)(C)C ZINC001482279887 917113101 /nfs/dbraw/zinc/11/31/01/917113101.db2.gz 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20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1ccnc1 ZINC001482376489 917141075 /nfs/dbraw/zinc/14/10/75/917141075.db2.gz ZTYKZMKABOWYRM-CYBMUJFWSA-N 1 0 278.356 -0.031 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001482449909 917145746 /nfs/dbraw/zinc/14/57/46/917145746.db2.gz RDMZOBFWNZSIJN-LBPRGKRZSA-N 1 0 276.344 -0.333 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)COC ZINC001482482180 917150153 /nfs/dbraw/zinc/15/01/53/917150153.db2.gz NEOGUMUHQPKFBO-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C(C)C ZINC001482551050 917158475 /nfs/dbraw/zinc/15/84/75/917158475.db2.gz WGNWFLNEYSIRMD-NWDGAFQWSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C(C)C ZINC001482549060 917159575 /nfs/dbraw/zinc/15/95/75/917159575.db2.gz WGNWFLNEYSIRMD-NEPJUHHUSA-N 1 0 265.357 -0.029 20 30 CBEDRO C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001482585384 917169728 /nfs/dbraw/zinc/16/97/28/917169728.db2.gz QPZRZGSEQLPJMM-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)CCN1CCNC1=O ZINC001482586063 917171446 /nfs/dbraw/zinc/17/14/46/917171446.db2.gz GBCGWKPAHCSWLJ-NSHDSACASA-N 1 0 281.360 -0.439 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001482649151 917194318 /nfs/dbraw/zinc/19/43/18/917194318.db2.gz ANFICAVOAIWSLA-NSHDSACASA-N 1 0 289.401 -0.356 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(C)=O ZINC001482666379 917201783 /nfs/dbraw/zinc/20/17/83/917201783.db2.gz KKBMQKVIRXOWHH-NWDGAFQWSA-N 1 0 296.371 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001482676012 917201964 /nfs/dbraw/zinc/20/19/64/917201964.db2.gz ILSDKPAQPANPGI-WCQYABFASA-N 1 0 298.408 -0.071 20 30 CBEDRO C=CCOCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001482671960 917202429 /nfs/dbraw/zinc/20/24/29/917202429.db2.gz MYVFKGUMGPRTFY-RYUDHWBXSA-N 1 0 283.372 -0.191 20 30 CBEDRO COCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001482697745 917206566 /nfs/dbraw/zinc/20/65/66/917206566.db2.gz HGWLOYOHULKGQR-CQSZACIVSA-N 1 0 276.336 -0.249 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001482679394 917206727 /nfs/dbraw/zinc/20/67/27/917206727.db2.gz XEEYMGPFMWHPDW-CMPLNLGQSA-N 1 0 284.381 -0.461 20 30 CBEDRO Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)CSCC#N ZINC001482708643 917207773 /nfs/dbraw/zinc/20/77/73/917207773.db2.gz JDKJDXTWSQFSRB-LLVKDONJSA-N 1 0 298.368 -0.194 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC(C)(C)C ZINC001482709429 917211058 /nfs/dbraw/zinc/21/10/58/917211058.db2.gz QOLJSWZABUGCQS-VXGBXAGGSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC(C)(C)C ZINC001482709427 917211415 /nfs/dbraw/zinc/21/14/15/917211415.db2.gz QOLJSWZABUGCQS-NWDGAFQWSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)/C(C)=C/CC ZINC001482711138 917212991 /nfs/dbraw/zinc/21/29/91/917212991.db2.gz CKGPMUYJPCJGRQ-IGEMTJHASA-N 1 0 281.356 -0.841 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001482712334 917213352 /nfs/dbraw/zinc/21/33/52/917213352.db2.gz LPMBMWNGYMRXTM-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N)n1 ZINC001482717052 917224456 /nfs/dbraw/zinc/22/44/56/917224456.db2.gz WDHHHJPAHCQVSI-BXKDBHETSA-N 1 0 294.359 -0.879 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CN1CCOCC1 ZINC001482722392 917226415 /nfs/dbraw/zinc/22/64/15/917226415.db2.gz MEDFIPHREPGVHS-NSHDSACASA-N 1 0 291.779 -0.862 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001482722273 917227948 /nfs/dbraw/zinc/22/79/48/917227948.db2.gz KVICBUOGMLXQJU-OCCSQVGLSA-N 1 0 268.357 -0.373 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001482725943 917229431 /nfs/dbraw/zinc/22/94/31/917229431.db2.gz OAVRKMYUWYRISM-LBPRGKRZSA-N 1 0 297.399 -0.229 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001482725438 917229840 /nfs/dbraw/zinc/22/98/40/917229840.db2.gz JIFVKPNWMZJJQV-NSHDSACASA-N 1 0 289.763 -0.716 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482724928 917231917 /nfs/dbraw/zinc/23/19/17/917231917.db2.gz DOXFLACDPNKABL-CHWSQXEVSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001482725602 917232273 /nfs/dbraw/zinc/23/22/73/917232273.db2.gz LEEDWMKTAZXBMO-SNVBAGLBSA-N 1 0 282.369 -0.092 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnnn1CC ZINC001482726891 917235332 /nfs/dbraw/zinc/23/53/32/917235332.db2.gz IMGFIFNORJOZLC-VIFPVBQESA-N 1 0 253.306 -0.836 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001482726561 917235452 /nfs/dbraw/zinc/23/54/52/917235452.db2.gz WDPCLDJENXIHPV-OCCSQVGLSA-N 1 0 284.356 -0.970 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1CC ZINC001482726890 917236409 /nfs/dbraw/zinc/23/64/09/917236409.db2.gz IMGFIFNORJOZLC-SECBINFHSA-N 1 0 253.306 -0.836 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001482729284 917238042 /nfs/dbraw/zinc/23/80/42/917238042.db2.gz YOCPFNCXEWFMBP-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001482731047 917238416 /nfs/dbraw/zinc/23/84/16/917238416.db2.gz MKQVSIOSYOCHKX-NSHDSACASA-N 1 0 277.328 -0.683 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001482733631 917241990 /nfs/dbraw/zinc/24/19/90/917241990.db2.gz MSXVAZXOSSSYPD-YPMHNXCESA-N 1 0 278.356 -0.472 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001482736925 917243194 /nfs/dbraw/zinc/24/31/94/917243194.db2.gz BQAJVLFWEXQEJA-SNVBAGLBSA-N 1 0 280.328 -0.468 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001482744261 917246306 /nfs/dbraw/zinc/24/63/06/917246306.db2.gz RQRIAMVFOYGCBX-NSHDSACASA-N 1 0 292.339 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001482744260 917247002 /nfs/dbraw/zinc/24/70/02/917247002.db2.gz RQRIAMVFOYGCBX-LLVKDONJSA-N 1 0 292.339 -0.405 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001482743955 917247823 /nfs/dbraw/zinc/24/78/23/917247823.db2.gz MRRVWNJTRPMXDW-STQMWFEESA-N 1 0 290.367 -0.465 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O)cc1 ZINC001482755337 917252678 /nfs/dbraw/zinc/25/26/78/917252678.db2.gz FTVMORSEHYNKRX-ZWNOBZJWSA-N 1 0 289.335 -0.778 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC ZINC001482756467 917256262 /nfs/dbraw/zinc/25/62/62/917256262.db2.gz SETDJUKXPFWJQA-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2c1ncn2C ZINC001482766601 917263651 /nfs/dbraw/zinc/26/36/51/917263651.db2.gz IDQYYOGZEORVJO-SNVBAGLBSA-N 1 0 289.339 -0.165 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001482770351 917267255 /nfs/dbraw/zinc/26/72/55/917267255.db2.gz QGXXCTBPKLMMEN-IJLUTSLNSA-N 1 0 278.356 -0.224 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001482776297 917271023 /nfs/dbraw/zinc/27/10/23/917271023.db2.gz VQSXLSCZIPPDSE-AVGNSLFASA-N 1 0 286.372 -0.583 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)cn1 ZINC001482789640 917282548 /nfs/dbraw/zinc/28/25/48/917282548.db2.gz OVQYBSOTQUGSSJ-MFKMUULPSA-N 1 0 277.324 -0.876 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O)cn1 ZINC001482789641 917282835 /nfs/dbraw/zinc/28/28/35/917282835.db2.gz OVQYBSOTQUGSSJ-ZWNOBZJWSA-N 1 0 277.324 -0.876 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001482788496 917283829 /nfs/dbraw/zinc/28/38/29/917283829.db2.gz ZNAGVZOGSPJINM-OLZOCXBDSA-N 1 0 291.351 -0.061 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1C(N)=O ZINC001482796986 917287505 /nfs/dbraw/zinc/28/75/05/917287505.db2.gz IIBSYABWYURPFK-SECBINFHSA-N 1 0 278.312 -0.953 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001482792154 917288127 /nfs/dbraw/zinc/28/81/27/917288127.db2.gz GIMXWDGPLXYCLY-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001482796800 917288138 /nfs/dbraw/zinc/28/81/38/917288138.db2.gz DQBKGNIYRPYEMQ-QWHCGFSZSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cccnc1C(N)=O ZINC001482796987 917288779 /nfs/dbraw/zinc/28/87/79/917288779.db2.gz IIBSYABWYURPFK-VIFPVBQESA-N 1 0 278.312 -0.953 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482797824 917290133 /nfs/dbraw/zinc/29/01/33/917290133.db2.gz CMKTVLVPIITMJG-CYBMUJFWSA-N 1 0 280.372 -0.005 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1csc(COC)n1 ZINC001482798154 917290174 /nfs/dbraw/zinc/29/01/74/917290174.db2.gz BFPBKUMRTBMFTH-JTQLQIEISA-N 1 0 297.380 -0.007 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001482799507 917290913 /nfs/dbraw/zinc/29/09/13/917290913.db2.gz PLETUKQZWJLIJV-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001482797999 917291391 /nfs/dbraw/zinc/29/13/91/917291391.db2.gz DCSLZBUXBVZNRA-LBPRGKRZSA-N 1 0 266.345 -0.166 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001482809701 917299633 /nfs/dbraw/zinc/29/96/33/917299633.db2.gz XIHBJROLNGVYTN-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C ZINC001482831365 917304885 /nfs/dbraw/zinc/30/48/85/917304885.db2.gz LDFCGLARAXSFJY-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO CNC(=O)NCCC(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001482830798 917306487 /nfs/dbraw/zinc/30/64/87/917306487.db2.gz ZSRVYEWLICECPQ-GFCCVEGCSA-N 1 0 298.387 -0.560 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001482849546 917314678 /nfs/dbraw/zinc/31/46/78/917314678.db2.gz KNXQVROTKKKMAW-LLVKDONJSA-N 1 0 292.339 -0.543 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001482862535 917317486 /nfs/dbraw/zinc/31/74/86/917317486.db2.gz VGBJTZUTUUQFKT-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001482862537 917317669 /nfs/dbraw/zinc/31/76/69/917317669.db2.gz VGBJTZUTUUQFKT-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001482875968 917320698 /nfs/dbraw/zinc/32/06/98/917320698.db2.gz DSAGFCJDZZYNQV-SECBINFHSA-N 1 0 296.327 -0.923 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001482888768 917324123 /nfs/dbraw/zinc/32/41/23/917324123.db2.gz LESBALHPOPKNSJ-LLVKDONJSA-N 1 0 294.355 -0.612 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001482894668 917325469 /nfs/dbraw/zinc/32/54/69/917325469.db2.gz FKZIYFXQPLYUEM-LLVKDONJSA-N 1 0 276.340 -0.098 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001482903901 917328623 /nfs/dbraw/zinc/32/86/23/917328623.db2.gz ACUUPSYFELZFRK-QWRGUYRKSA-N 1 0 279.340 -0.453 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001482902959 917330774 /nfs/dbraw/zinc/33/07/74/917330774.db2.gz KFLKKJAEGUBLPR-JTQLQIEISA-N 1 0 274.324 -0.088 20 30 CBEDRO CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H](C)C#N ZINC001482914469 917331648 /nfs/dbraw/zinc/33/16/48/917331648.db2.gz 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C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](F)CC ZINC001483484387 917579859 /nfs/dbraw/zinc/57/98/59/917579859.db2.gz FPAPDAKFCCXFPJ-NSHDSACASA-N 1 0 271.336 -0.078 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001483542088 917585960 /nfs/dbraw/zinc/58/59/60/917585960.db2.gz LJSSAINBITWPRE-SNVBAGLBSA-N 1 0 284.751 -0.090 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)c1nccnc1N)C1CC1 ZINC001483547408 917589164 /nfs/dbraw/zinc/58/91/64/917589164.db2.gz CETUMYMLIGBYPO-JTQLQIEISA-N 1 0 259.313 -0.210 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001483554829 917591433 /nfs/dbraw/zinc/59/14/33/917591433.db2.gz FGJQNKPOVUZACE-LBPRGKRZSA-N 1 0 289.339 -0.270 20 30 CBEDRO C#CCC[NH2+]C[C@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001483565284 917593538 /nfs/dbraw/zinc/59/35/38/917593538.db2.gz DNODYDMDUYBBAF-ZDUSSCGKSA-N 1 0 293.367 -0.647 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001483579472 917597034 /nfs/dbraw/zinc/59/70/34/917597034.db2.gz 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HVOULJKPBVKVNY-QWRGUYRKSA-N 1 0 266.345 -0.401 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001496357104 920063643 /nfs/dbraw/zinc/06/36/43/920063643.db2.gz CYNLWKXPWOCRBA-OLZOCXBDSA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C)OC)C(C)C ZINC001496529962 920084818 /nfs/dbraw/zinc/08/48/18/920084818.db2.gz BLUQSKSTPVFEEE-RYUDHWBXSA-N 1 0 283.372 -0.499 20 30 CBEDRO C#CCC[NH2+][C@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001496562721 920086118 /nfs/dbraw/zinc/08/61/18/920086118.db2.gz TYVHBDPIEZZNNA-LLVKDONJSA-N 1 0 264.333 -0.573 20 30 CBEDRO CC(C)[C@@H](CNC(=O)c1cc[nH]c1)[NH2+]CC(=O)NCC#N ZINC001496558959 920088733 /nfs/dbraw/zinc/08/87/33/920088733.db2.gz UESRAXHWTXLQMB-GFCCVEGCSA-N 1 0 291.355 -0.002 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)C1(C(N)=O)CC1)C(C)C ZINC001496601035 920095424 /nfs/dbraw/zinc/09/54/24/920095424.db2.gz XGIKWVBEYUATIP-JTQLQIEISA-N 1 0 251.330 -0.385 20 30 CBEDRO COCC#CC[NH2+][C@@H](CNC(=O)CCNC(N)=O)C(C)C ZINC001496634424 920098123 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C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001496958599 920177452 /nfs/dbraw/zinc/17/74/52/920177452.db2.gz RLZOAKAQPYPZCH-JTQLQIEISA-N 1 0 267.333 -0.620 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccncc1F ZINC001496958951 920177596 /nfs/dbraw/zinc/17/75/96/920177596.db2.gz TTZMGRCZWCWVRW-JTQLQIEISA-N 1 0 265.288 -0.076 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OC)C1CC1 ZINC001496974942 920186749 /nfs/dbraw/zinc/18/67/49/920186749.db2.gz DVVCFIDTUBIDAP-OLZOCXBDSA-N 1 0 284.356 -0.872 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cncnc1 ZINC001496969611 920187417 /nfs/dbraw/zinc/18/74/17/920187417.db2.gz UKSUGFBDZKLJCX-LLVKDONJSA-N 1 0 250.302 -0.267 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001496977331 920191038 /nfs/dbraw/zinc/19/10/38/920191038.db2.gz MFCLJUOIJZOZPW-ZDUSSCGKSA-N 1 0 278.356 -0.354 20 30 CBEDRO Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001496979081 920191481 /nfs/dbraw/zinc/19/14/81/920191481.db2.gz DOPLFXUKBYERSV-ZDUSSCGKSA-N 1 0 277.324 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/nfs/dbraw/zinc/19/50/84/920195084.db2.gz FUTIZMDGIPWDIW-QWRGUYRKSA-N 1 0 269.345 -0.893 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001496993498 920196868 /nfs/dbraw/zinc/19/68/68/920196868.db2.gz KTWZPDZYVHAOBD-LLVKDONJSA-N 1 0 280.328 -0.171 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001496992834 920198992 /nfs/dbraw/zinc/19/89/92/920198992.db2.gz BFWSCCVQMBBFTB-MNOVXSKESA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C1CCC1 ZINC001497003781 920200187 /nfs/dbraw/zinc/20/01/87/920200187.db2.gz SLZYOLHEDCLSNE-AAEUAGOBSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001496999159 920201365 /nfs/dbraw/zinc/20/13/65/920201365.db2.gz SMDGBFMPQBZLMD-SNVBAGLBSA-N 1 0 263.297 -0.135 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC)CCNC1=O ZINC001496999343 920202533 /nfs/dbraw/zinc/20/25/33/920202533.db2.gz VAABIOKSPAZVAC-ZWNOBZJWSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1CC ZINC001497006643 920203826 /nfs/dbraw/zinc/20/38/26/920203826.db2.gz UYXVOSONTGWEMS-VIFPVBQESA-N 1 0 252.318 -0.162 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2nccn21 ZINC001497018008 920207380 /nfs/dbraw/zinc/20/73/80/920207380.db2.gz PTYXAOIYNXSWPQ-NSHDSACASA-N 1 0 272.308 -0.352 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2ncn(C)c21 ZINC001497011369 920207950 /nfs/dbraw/zinc/20/79/50/920207950.db2.gz OANIPNWOZIPJCM-LLVKDONJSA-N 1 0 286.335 -0.113 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc(Cl)n1C ZINC001497017220 920208628 /nfs/dbraw/zinc/20/86/28/920208628.db2.gz HXBXNNVNFSIOKP-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001497017739 920209349 /nfs/dbraw/zinc/20/93/49/920209349.db2.gz MXVRBGOMLUGPST-JTQLQIEISA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nnc2ccccc2n1 ZINC001497020271 920211423 /nfs/dbraw/zinc/21/14/23/920211423.db2.gz MAXONXKTXJRDPJ-LLVKDONJSA-N 1 0 299.334 -0.272 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001497034468 920219021 /nfs/dbraw/zinc/21/90/21/920219021.db2.gz WUXHGBRYMQYFHR-QWRGUYRKSA-N 1 0 269.345 -0.750 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001497034953 920219875 /nfs/dbraw/zinc/21/98/75/920219875.db2.gz RIVKMQDQDVAYQC-VXNVDRBHSA-N 1 0 277.752 -0.683 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001497047850 920227123 /nfs/dbraw/zinc/22/71/23/920227123.db2.gz AQHVHLTXZNGCAT-GHMZBOCLSA-N 1 0 291.355 -0.685 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001497048129 920227453 /nfs/dbraw/zinc/22/74/53/920227453.db2.gz PXJIREOOHYFXGT-JTQLQIEISA-N 1 0 269.345 -0.715 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Oc1cccnc1 ZINC001497051897 920228755 /nfs/dbraw/zinc/22/87/55/920228755.db2.gz AQIPMCXKSIVWEP-QWHCGFSZSA-N 1 0 291.351 -0.061 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001497048183 920229136 /nfs/dbraw/zinc/22/91/36/920229136.db2.gz QLCKAOHCNVLXGK-ZDUSSCGKSA-N 1 0 297.399 -0.112 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)[nH]c1C ZINC001497065156 920234662 /nfs/dbraw/zinc/23/46/62/920234662.db2.gz SPWIMINHPBUNJL-CYBMUJFWSA-N 1 0 293.367 -0.038 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C)nc1OC ZINC001497069581 920237923 /nfs/dbraw/zinc/23/79/23/920237923.db2.gz YEOBXPKBTDQVIF-NSHDSACASA-N 1 0 277.324 -0.288 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CCC)nn1 ZINC001497080221 920244653 /nfs/dbraw/zinc/24/46/53/920244653.db2.gz IARPTGVALWNLLI-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001497103996 920248748 /nfs/dbraw/zinc/24/87/48/920248748.db2.gz KTAUIJOJKPZODA-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001497129310 920255262 /nfs/dbraw/zinc/25/52/62/920255262.db2.gz VONREIIIFWAPCO-SMDDNHRTSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001497128498 920256111 /nfs/dbraw/zinc/25/61/11/920256111.db2.gz PRPULEKAOITTBH-NSHDSACASA-N 1 0 292.339 -0.563 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC001497126072 920256663 /nfs/dbraw/zinc/25/66/63/920256663.db2.gz KXJAXNHUEAKNCD-ZWNOBZJWSA-N 1 0 292.383 -0.160 20 30 CBEDRO C[C@H](CC[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H](C)C#N ZINC001497155855 920264413 /nfs/dbraw/zinc/26/44/13/920264413.db2.gz YKUSAHGCFOAKHJ-VHSXEESVSA-N 1 0 275.374 -0.325 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCS(C)(=O)=O ZINC001497155856 920265089 /nfs/dbraw/zinc/26/50/89/920265089.db2.gz YKUSAHGCFOAKHJ-ZJUUUORDSA-N 1 0 275.374 -0.325 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001497153452 920265313 /nfs/dbraw/zinc/26/53/13/920265313.db2.gz NOTSBXKNWWSQFK-QWRGUYRKSA-N 1 0 294.355 -0.221 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001497177545 920268223 /nfs/dbraw/zinc/26/82/23/920268223.db2.gz DCDQVHHPKAQRBT-WCQYABFASA-N 1 0 283.372 -0.763 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001497220925 920270076 /nfs/dbraw/zinc/27/00/76/920270076.db2.gz OIZZOSXGAYYYGE-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001497200542 920270399 /nfs/dbraw/zinc/27/03/99/920270399.db2.gz CGHFYCLANOSENK-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001497200541 920271516 /nfs/dbraw/zinc/27/15/16/920271516.db2.gz CGHFYCLANOSENK-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001497220924 920271876 /nfs/dbraw/zinc/27/18/76/920271876.db2.gz OIZZOSXGAYYYGE-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1n[nH]cc1F ZINC001497265202 920277334 /nfs/dbraw/zinc/27/73/34/920277334.db2.gz SYUOPKYIASPOTC-QMMMGPOBSA-N 1 0 296.306 -0.713 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001497311577 920280100 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N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cccnc1 ZINC001497519510 920314162 /nfs/dbraw/zinc/31/41/62/920314162.db2.gz QBBBIFASYYXYFZ-OWOJBTEDSA-N 1 0 287.323 -0.403 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnn(C)c1 ZINC001497525036 920320554 /nfs/dbraw/zinc/32/05/54/920320554.db2.gz HRPXIWZMVRRYFF-SNAWJCMRSA-N 1 0 291.355 -0.402 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnns1 ZINC001497534785 920324455 /nfs/dbraw/zinc/32/44/55/920324455.db2.gz OBRSUINOQIEUHF-ONEGZZNKSA-N 1 0 293.352 -0.837 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnns1 ZINC001497534784 920324581 /nfs/dbraw/zinc/32/45/81/920324581.db2.gz OBRSUINOQIEUHF-ARJAWSKDSA-N 1 0 293.352 -0.837 20 30 CBEDRO CC(C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497538349 920325865 /nfs/dbraw/zinc/32/58/65/920325865.db2.gz ULSFGEBGNUTDDM-ARJAWSKDSA-N 1 0 252.318 -0.456 20 30 CBEDRO CCC(=O)NCC(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001497549269 920329426 /nfs/dbraw/zinc/32/94/26/920329426.db2.gz OFOJSVMWUXRRMY-PLNGDYQASA-N 1 0 281.356 -0.576 20 30 CBEDRO O=C(C#CC1CC1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497585090 920344194 /nfs/dbraw/zinc/34/41/94/920344194.db2.gz SHBKZBYXGKZNBM-BIOMNHJASA-N 1 0 289.335 -0.533 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@]12C[C@H]1COC2 ZINC001497586355 920347876 /nfs/dbraw/zinc/34/78/76/920347876.db2.gz VBCXWXQJDYSTMQ-NMALROFRSA-N 1 0 293.367 -0.413 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCO ZINC001497600658 920349709 /nfs/dbraw/zinc/34/97/09/920349709.db2.gz LKOUQCGUGNRDJX-OOPCZODUSA-N 1 0 265.357 -0.662 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCNC1=O ZINC001497599297 920350218 /nfs/dbraw/zinc/35/02/18/920350218.db2.gz BILNXJQCCZBOKP-RXNFCKPNSA-N 1 0 263.341 -0.202 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CNS(=O)(=O)CC ZINC001497602224 920354100 /nfs/dbraw/zinc/35/41/00/920354100.db2.gz WJYPYLIHMDCARE-SREVYHEPSA-N 1 0 287.385 -0.789 20 30 CBEDRO COCC#CC[NH2+]CC=CCNC(=O)c1cn[nH]n1 ZINC001497622794 920354514 /nfs/dbraw/zinc/35/45/14/920354514.db2.gz FJIRMFPYVZIJJI-IHWYPQMZSA-N 1 0 263.301 -0.670 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001497694292 920371758 /nfs/dbraw/zinc/37/17/58/920371758.db2.gz GUUZBGDTAFMISL-VOTSOKGWSA-N 1 0 287.385 -0.791 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CCC1 ZINC001497781202 920378726 /nfs/dbraw/zinc/37/87/26/920378726.db2.gz YTKJLEFLJHOOLZ-SNVBAGLBSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C)OC ZINC001497793714 920385087 /nfs/dbraw/zinc/38/50/87/920385087.db2.gz RYIUECRENDFBBI-OUAUKWLOSA-N 1 0 271.361 -0.194 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cccn1 ZINC001497790172 920386275 /nfs/dbraw/zinc/38/62/75/920386275.db2.gz WRDZEWLCTSPJTG-GFCCVEGCSA-N 1 0 291.355 -0.883 20 30 CBEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001497798488 920388287 /nfs/dbraw/zinc/38/82/87/920388287.db2.gz XFWCYKYWWVSIFJ-NXEZZACHSA-N 1 0 290.389 -0.820 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001497862827 920409586 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C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001497823074 920403009 /nfs/dbraw/zinc/40/30/09/920403009.db2.gz UZGMENKKFUYZDM-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001497822645 920403992 /nfs/dbraw/zinc/40/39/92/920403992.db2.gz LQVTVNHXONRTJX-SNVBAGLBSA-N 1 0 277.390 -0.404 20 30 CBEDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497831754 920407878 /nfs/dbraw/zinc/40/78/78/920407878.db2.gz UOZCTGPJJWOYEK-WZRBSPASSA-N 1 0 296.371 -0.464 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)COC ZINC001497853088 920411360 /nfs/dbraw/zinc/41/13/60/920411360.db2.gz GEPCKOOMUDLPEQ-LLVKDONJSA-N 1 0 283.372 -0.497 20 30 CBEDRO Cc1n[nH]cc1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497869565 920413440 /nfs/dbraw/zinc/41/34/40/920413440.db2.gz SXXXJOUCYUKOOX-MRVPVSSYSA-N 1 0 278.316 -0.934 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001498049074 920462163 /nfs/dbraw/zinc/46/21/63/920462163.db2.gz WAVRVTXFESWHDU-QWRGUYRKSA-N 1 0 251.330 -0.418 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001497902447 920422478 /nfs/dbraw/zinc/42/24/78/920422478.db2.gz OLTQCCPKIORXKF-RISCZKNCSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)c2cnon2)C1=O ZINC001497945583 920425727 /nfs/dbraw/zinc/42/57/27/920425727.db2.gz OAUIPYJKDNUQHK-ZJUUUORDSA-N 1 0 293.327 -0.436 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001497970776 920430741 /nfs/dbraw/zinc/43/07/41/920430741.db2.gz AHMLAQBYULRVHO-ZYHUDNBSSA-N 1 0 289.401 -0.261 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@]1(C)CCCOC1 ZINC001497951132 920430979 /nfs/dbraw/zinc/43/09/79/920430979.db2.gz VBPLYTVOLSSKCL-RISCZKNCSA-N 1 0 296.371 -0.463 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001497983294 920433052 /nfs/dbraw/zinc/43/30/52/920433052.db2.gz AAKRGNLKQZAUQV-SECBINFHSA-N 1 0 280.328 -0.230 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccco1 ZINC001498003462 920438858 /nfs/dbraw/zinc/43/88/58/920438858.db2.gz FPYVXJXKXWKMEF-VIFPVBQESA-N 1 0 264.285 -0.373 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001497998524 920439126 /nfs/dbraw/zinc/43/91/26/920439126.db2.gz LAPKYGFZHBHMOS-NEPJUHHUSA-N 1 0 298.387 -0.174 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CSCC#N ZINC001498013244 920443294 /nfs/dbraw/zinc/44/32/94/920443294.db2.gz AZRSXWDBDWGVAE-UWVGGRQHSA-N 1 0 284.385 -0.384 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)C ZINC001498013325 920443470 /nfs/dbraw/zinc/44/34/70/920443470.db2.gz CCKPRZILEJPCQT-JTQLQIEISA-N 1 0 284.360 -0.252 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C)OC ZINC001498018554 920445364 /nfs/dbraw/zinc/44/53/64/920445364.db2.gz BZXAINRXQMXTLH-HBNTYKKESA-N 1 0 269.345 -0.747 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001498020462 920446894 /nfs/dbraw/zinc/44/68/94/920446894.db2.gz UHPUHFGSQSNHQC-QMMMGPOBSA-N 1 0 268.766 -0.122 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001498022977 920447730 /nfs/dbraw/zinc/44/77/30/920447730.db2.gz CXNSMZVFBQRQDW-UWVGGRQHSA-N 1 0 266.345 -0.139 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCOC1 ZINC001498026833 920449676 /nfs/dbraw/zinc/44/96/76/920449676.db2.gz URKRZIUXUBJVLL-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC=CC1 ZINC001498025547 920450030 /nfs/dbraw/zinc/45/00/30/920450030.db2.gz LEHISDZAKLEODX-NSHDSACASA-N 1 0 263.341 -0.204 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001498042918 920458634 /nfs/dbraw/zinc/45/86/34/920458634.db2.gz YTQOWMVCGBHQSV-ZDUSSCGKSA-N 1 0 266.341 -0.230 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC ZINC001498041540 920458801 /nfs/dbraw/zinc/45/88/01/920458801.db2.gz CUIKFMVFNUUMMN-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001498042924 920460543 /nfs/dbraw/zinc/46/05/43/920460543.db2.gz YUTOCWUSYPIARX-WDEREUQCSA-N 1 0 279.344 -0.552 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001498054601 920461699 /nfs/dbraw/zinc/46/16/99/920461699.db2.gz ADPSPIZNXKFOMM-XQQFMLRXSA-N 1 0 292.383 -0.933 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001498077844 920470154 /nfs/dbraw/zinc/47/01/54/920470154.db2.gz YLQSZXUEQNHALU-QWRGUYRKSA-N 1 0 272.370 -0.319 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cn1nccc1C ZINC001498126701 920488760 /nfs/dbraw/zinc/48/87/60/920488760.db2.gz YHHWLIGATJIBHO-LBPRGKRZSA-N 1 0 278.356 -0.064 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCOC1 ZINC001498148940 920500372 /nfs/dbraw/zinc/50/03/72/920500372.db2.gz YCFNNXVKCADCTJ-FZMZJTMJSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001498162611 920506781 /nfs/dbraw/zinc/50/67/81/920506781.db2.gz NIILUKPPCFCFBO-HNNXBMFYSA-N 1 0 297.399 -0.018 20 30 CBEDRO C=CCOCC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498192158 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CC(C)C[NH2+]C1(CO)CCN(CC(=O)NCC#N)CC1 ZINC000595510952 355290633 /nfs/dbraw/zinc/29/06/33/355290633.db2.gz GDGSGHFBQWXQEA-UHFFFAOYSA-N 1 0 282.388 -0.301 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H]1[NH3+] ZINC000595982389 355334872 /nfs/dbraw/zinc/33/48/72/355334872.db2.gz JNDQICUGMKJLFO-BREBYQMCSA-N 1 0 264.329 -0.446 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595611022 355296754 /nfs/dbraw/zinc/29/67/54/355296754.db2.gz IKKRVIDZJMNNFE-NSHDSACASA-N 1 0 292.343 -0.388 20 30 CBEDRO CN(CC1C[NH+](C)C1)C(=O)NCCn1cnc(C#N)n1 ZINC000595623185 355298126 /nfs/dbraw/zinc/29/81/26/355298126.db2.gz ZUGWOGJECQTXLG-UHFFFAOYSA-N 1 0 277.332 -0.647 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595745556 355303519 /nfs/dbraw/zinc/30/35/19/355303519.db2.gz XSQZABXWFCCZGN-QWRGUYRKSA-N 1 0 294.355 -0.401 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595747631 355304840 /nfs/dbraw/zinc/30/48/40/355304840.db2.gz 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CBEDRO C=CC[C@]1(C(=O)NCCC(=O)NC(N)=O)CCC[NH2+]1 ZINC000595941385 355322418 /nfs/dbraw/zinc/32/24/18/355322418.db2.gz NXENSZJAYRYHHB-GFCCVEGCSA-N 1 0 268.317 -0.614 20 30 CBEDRO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595994114 355337020 /nfs/dbraw/zinc/33/70/20/355337020.db2.gz KOHZSULUJJHKHT-OPRDCNLKSA-N 1 0 270.308 -0.498 20 30 CBEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595994106 355337087 /nfs/dbraw/zinc/33/70/87/355337087.db2.gz KOHZSULUJJHKHT-IVZWLZJFSA-N 1 0 270.308 -0.498 20 30 CBEDRO CC(C)[C@H]([NH3+])CCNC(=O)NCC(=O)NCC#N ZINC000595263378 355276441 /nfs/dbraw/zinc/27/64/41/355276441.db2.gz VBALPDUIUHGKKF-SECBINFHSA-N 1 0 255.322 -0.701 20 30 CBEDRO N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000595278186 355277946 /nfs/dbraw/zinc/27/79/46/355277946.db2.gz FXYHVTIFGTWRJQ-NSHDSACASA-N 1 0 290.298 -0.208 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000595276574 355278139 /nfs/dbraw/zinc/27/81/39/355278139.db2.gz 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/nfs/dbraw/zinc/33/87/61/355338761.db2.gz FPEHVJAPLGBBFN-UHFFFAOYSA-N 1 0 277.328 -0.490 20 30 CBEDRO C[C@@H]1C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000596015411 355339000 /nfs/dbraw/zinc/33/90/00/355339000.db2.gz DFGHHENGZSVULZ-BDAKNGLRSA-N 1 0 277.328 -0.492 20 30 CBEDRO Cn1c(=O)c(C#N)c(N2CC[C@@H]3CC[NH2+][C@H]3C2)n(C)c1=O ZINC000596016680 355339391 /nfs/dbraw/zinc/33/93/91/355339391.db2.gz UFZZMASYKLTENH-ONGXEEELSA-N 1 0 289.339 -0.856 20 30 CBEDRO CN(C)C(=O)CC[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596160123 355346423 /nfs/dbraw/zinc/34/64/23/355346423.db2.gz LMITZHGAGVAHJJ-UHFFFAOYSA-N 1 0 290.371 -0.108 20 30 CBEDRO COC(=O)[C@H]1CN(c2cc(C#N)cnn2)CC[N@H+](C)C1 ZINC000596270514 355351619 /nfs/dbraw/zinc/35/16/19/355351619.db2.gz PLCZXXQUGGVNIP-LLVKDONJSA-N 1 0 275.312 -0.111 20 30 CBEDRO C[NH+](C)[C@H]1CN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1O ZINC000596275836 355352306 /nfs/dbraw/zinc/35/23/06/355352306.db2.gz XPDMPBGZIPLHJU-STQMWFEESA-N 1 0 295.387 -0.709 20 30 CBEDRO 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ZINC000261603478 220244135 /nfs/dbraw/zinc/24/41/35/220244135.db2.gz CSGKDXBNAGLMNA-SNVBAGLBSA-N 1 0 297.359 -0.918 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N(C)C[C@H]1CCOC1 ZINC000261727908 220244176 /nfs/dbraw/zinc/24/41/76/220244176.db2.gz XSWLIFFHPHXDCV-LLVKDONJSA-N 1 0 266.349 -0.178 20 30 CBEDRO C#CCCNC(=[NH+]C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261948842 220246581 /nfs/dbraw/zinc/24/65/81/220246581.db2.gz GSCDVRSGUJVKEI-UHFFFAOYSA-N 1 0 293.415 -0.319 20 30 CBEDRO CNC(NCc1ccc(S(N)(=O)=O)s1)=[NH+]C ZINC000261742136 220244430 /nfs/dbraw/zinc/24/44/30/220244430.db2.gz IQSSGKAHYHLQFX-UHFFFAOYSA-N 1 0 262.360 -0.310 20 30 CBEDRO CN/C(=[NH+]/C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261990804 220246600 /nfs/dbraw/zinc/24/66/00/220246600.db2.gz RGHQPENYVNPGML-UHFFFAOYSA-N 1 0 255.366 -0.713 20 30 CBEDRO C[NH+]=C(NCC(=O)NCCOC)N1CC[C@]2(CCOC2)C1 ZINC000261934916 220246612 /nfs/dbraw/zinc/24/66/12/220246612.db2.gz CEOABRWYALEELF-AWEZNQCLSA-N 1 0 298.387 -0.563 20 30 CBEDRO C[NH+]=C(NC[C@@H]1COCCO1)N(C)C[C@@H]1CCOC1 ZINC000261615248 220244802 /nfs/dbraw/zinc/24/48/02/220244802.db2.gz GPFGRGGPTKOHMR-NWDGAFQWSA-N 1 0 271.361 -0.055 20 30 CBEDRO C[NH+]=C(NCc1cnn(C)c1)N1CCO[C@H](COC)C1 ZINC000261954044 220245269 /nfs/dbraw/zinc/24/52/69/220245269.db2.gz OJLIGRAXSUXCQP-LBPRGKRZSA-N 1 0 281.360 -0.157 20 30 CBEDRO C#CCNC(NCc1nnc(C)n1C)=[NH+]C[C@H]1CCCO1 ZINC000261937706 220245420 /nfs/dbraw/zinc/24/54/20/220245420.db2.gz CUTOSIFAURPCCB-GFCCVEGCSA-N 1 0 290.371 -0.029 20 30 CBEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528735827 373979813 /nfs/dbraw/zinc/97/98/13/373979813.db2.gz VVOFYONJMJETOL-AWEZNQCLSA-N 1 0 297.399 -0.016 20 30 CBEDRO C=CCOCC[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000528740135 373981299 /nfs/dbraw/zinc/98/12/99/373981299.db2.gz YZEVRZSLZWKZAJ-UHFFFAOYSA-N 1 0 283.372 -0.141 20 30 CBEDRO [NH2+]=C(NC[C@H]1CCOC1)N1CCN(c2ncccn2)CC1 ZINC000262002088 220245727 /nfs/dbraw/zinc/24/57/27/220245727.db2.gz QDHYCRAGJWAFHD-GFCCVEGCSA-N 1 0 290.371 -0.050 20 30 CBEDRO CNC(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000261949915 220245866 /nfs/dbraw/zinc/24/58/66/220245866.db2.gz YTYUEQGZVAZLQV-UHFFFAOYSA-N 1 0 262.379 -0.547 20 30 CBEDRO CS(=O)(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000261971440 220246002 /nfs/dbraw/zinc/24/60/02/220246002.db2.gz DIWXWFICMDHVSU-UHFFFAOYSA-N 1 0 251.377 -0.606 20 30 CBEDRO C=CCNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261910596 220246010 /nfs/dbraw/zinc/24/60/10/220246010.db2.gz SZCUBGHYYZOXNK-UHFFFAOYSA-N 1 0 274.390 -0.252 20 30 CBEDRO CS(=O)(=O)N1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000261929900 220246168 /nfs/dbraw/zinc/24/61/68/220246168.db2.gz WAZXUZWGYCIZKA-MRVPVSSYSA-N 1 0 260.363 -0.665 20 30 CBEDRO C[NH+]=C(NCCO)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261991313 220246320 /nfs/dbraw/zinc/24/63/20/220246320.db2.gz SKEIPPGYAQXLNZ-UHFFFAOYSA-N 1 0 270.377 -0.115 20 30 CBEDRO C[NH+]=C(NCCOC)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261881540 220246861 /nfs/dbraw/zinc/24/68/61/220246861.db2.gz PJOHAGHKQWMTCK-SNVBAGLBSA-N 1 0 292.405 -0.921 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1cccc(OC)n1 ZINC000262150945 220247401 /nfs/dbraw/zinc/24/74/01/220247401.db2.gz APSYKICCOZJNQC-UHFFFAOYSA-N 1 0 279.344 -0.157 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1nccn1C ZINC000262168857 220247734 /nfs/dbraw/zinc/24/77/34/220247734.db2.gz CWXGPFPNMBQMEL-UHFFFAOYSA-N 1 0 252.322 -0.827 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262009570 220247926 /nfs/dbraw/zinc/24/79/26/220247926.db2.gz HGHBBIPESNCEMO-LBPRGKRZSA-N 1 0 253.346 -0.305 20 30 CBEDRO [NH2+]=C(NCC(=O)N1CCCCC1)N1CCOCC1 ZINC000262015942 220247966 /nfs/dbraw/zinc/24/79/66/220247966.db2.gz WBWFIFLEPKVYNL-UHFFFAOYSA-N 1 0 254.334 -0.354 20 30 CBEDRO [NH2+]=C(NCCN1CCNC(=O)C1)NC1CCCC1 ZINC000262220996 220248041 /nfs/dbraw/zinc/24/80/41/220248041.db2.gz LJPZVFBAOAHLKJ-UHFFFAOYSA-N 1 0 253.350 -0.735 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CC1)N1CCO[C@@H](COC)C1 ZINC000262034356 220248481 /nfs/dbraw/zinc/24/84/81/220248481.db2.gz XNXOXSTUAUGHFX-LLVKDONJSA-N 1 0 284.360 -0.812 20 30 CBEDRO C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@H]1CCCO1 ZINC000262342598 220249177 /nfs/dbraw/zinc/24/91/77/220249177.db2.gz CTXZTRKHNQZMFI-VXGBXAGGSA-N 1 0 281.360 -0.203 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262339336 220249419 /nfs/dbraw/zinc/24/94/19/220249419.db2.gz WTFCSTKCJFFZRD-SNVBAGLBSA-N 1 0 293.375 -0.845 20 30 CBEDRO Cn1c(N[C@@H]2CC[NH2+]C23CCC3)c(C#N)c(=O)n(C)c1=O ZINC000530178580 374064564 /nfs/dbraw/zinc/06/45/64/374064564.db2.gz JNOCIBCXZMFDLV-SNVBAGLBSA-N 1 0 289.339 -0.348 20 30 CBEDRO C[NH+]=C(NCC(F)F)NC[C@H](O)c1cnn(C)c1 ZINC000262330500 220249995 /nfs/dbraw/zinc/24/99/95/220249995.db2.gz AUYBYIAYKBDUKE-QMMMGPOBSA-N 1 0 261.276 -0.116 20 30 CBEDRO C[C@H](O)[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C1 ZINC000262313294 220250038 /nfs/dbraw/zinc/25/00/38/220250038.db2.gz QEJOJOXFLDLHIM-QWRGUYRKSA-N 1 0 282.388 -0.115 20 30 CBEDRO CC(=O)N1CCN(CCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000262441940 220250822 /nfs/dbraw/zinc/25/08/22/220250822.db2.gz HTLDXLRVOQTVAT-GFCCVEGCSA-N 1 0 297.403 -0.814 20 30 CBEDRO C#CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]CCC ZINC000262387240 220250853 /nfs/dbraw/zinc/25/08/53/220250853.db2.gz LPBZMBWGPPTMSW-LLVKDONJSA-N 1 0 271.386 -0.001 20 30 CBEDRO [NH2+]=C(NCC(=O)NCC(F)F)N1CCOCC1 ZINC000262479334 220251108 /nfs/dbraw/zinc/25/11/08/220251108.db2.gz QZBMHAMAUFPZCU-UHFFFAOYSA-N 1 0 250.249 -0.985 20 30 CBEDRO CCNC(=[NH2+])NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000262409771 220251217 /nfs/dbraw/zinc/25/12/17/220251217.db2.gz PDAGLJSTPBMLHQ-IUCAKERBSA-N 1 0 262.379 -0.372 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCCN2CCCOCC2)CCO1 ZINC000262447631 220251846 /nfs/dbraw/zinc/25/18/46/220251846.db2.gz JDDHKTAURMNBPK-LBPRGKRZSA-N 1 0 270.377 -0.256 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@@H](COC)C1 ZINC000262467553 220251958 /nfs/dbraw/zinc/25/19/58/220251958.db2.gz OABPVCYSZGQSNR-SNVBAGLBSA-N 1 0 268.361 -0.191 20 30 CBEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)NCC1CCC1 ZINC000262512339 220252449 /nfs/dbraw/zinc/25/24/49/220252449.db2.gz DQOCKMYSYNKORM-UHFFFAOYSA-N 1 0 253.306 -0.757 20 30 CBEDRO [NH2+]=C(NCCNC(=O)c1ccn[nH]1)N1CCSCC1 ZINC000262590642 220252668 /nfs/dbraw/zinc/25/26/68/220252668.db2.gz URJOKGNHOABBSM-UHFFFAOYSA-N 1 0 282.373 -0.497 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)NCc2ccco2)CCO1 ZINC000262493612 220252734 /nfs/dbraw/zinc/25/27/34/220252734.db2.gz VQWCJCNKBHCCJV-SNVBAGLBSA-N 1 0 280.328 -0.069 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC(=O)NCc2ccco2)CCO1 ZINC000262493609 220252848 /nfs/dbraw/zinc/25/28/48/220252848.db2.gz VQWCJCNKBHCCJV-JTQLQIEISA-N 1 0 280.328 -0.069 20 30 CBEDRO CC(C)NC(=[NH2+])NCCS(=O)(=O)N1CCSCC1 ZINC000262549093 220253262 /nfs/dbraw/zinc/25/32/62/220253262.db2.gz WYTZEHSQBAVHOU-UHFFFAOYSA-N 1 0 294.446 -0.322 20 30 CBEDRO [NH2+]=C(NCCN1C(=O)CNC1=O)Nc1ccccc1 ZINC000262511839 220253283 /nfs/dbraw/zinc/25/32/83/220253283.db2.gz BJQLZBDQRWUWTF-UHFFFAOYSA-N 1 0 261.285 -0.035 20 30 CBEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262503432 220253319 /nfs/dbraw/zinc/25/33/19/220253319.db2.gz ZCSADFJPLQZLQD-FOGDFJRCSA-N 1 0 257.334 -0.438 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N1CCN(c2ccccn2)CC1 ZINC000262590755 220253544 /nfs/dbraw/zinc/25/35/44/220253544.db2.gz UVMRZNIFWOTKNF-UHFFFAOYSA-N 1 0 290.371 -0.475 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC(=O)NCC(F)(F)F)CCO1 ZINC000262491150 220253649 /nfs/dbraw/zinc/25/36/49/220253649.db2.gz VAOUTVUADBJUIX-SSDOTTSWSA-N 1 0 282.266 -0.300 20 30 CBEDRO C[C@H](NC(=O)c1cc(C#N)ccn1)C(=O)NCC[NH+](C)C ZINC000552307945 374266487 /nfs/dbraw/zinc/26/64/87/374266487.db2.gz ATSWISUUKQPXKO-JTQLQIEISA-N 1 0 289.339 -0.251 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000645269480 374654726 /nfs/dbraw/zinc/65/47/26/374654726.db2.gz OVCAJOOIYZQEEV-KGLIPLIRSA-N 1 0 296.415 -0.304 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000645308205 374659974 /nfs/dbraw/zinc/65/99/74/374659974.db2.gz OXADJMDJZADWJM-STQMWFEESA-N 1 0 283.372 -0.219 20 30 CBEDRO C=CCN1CC[C@@H](N2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)C1=O ZINC000646088447 374740268 /nfs/dbraw/zinc/74/02/68/374740268.db2.gz JNIMDDBQDKRBEF-YGRLFVJLSA-N 1 0 292.339 -0.553 20 30 CBEDRO C=CCCOCC(=O)NCCCN1CC[NH2+]CC1 ZINC000646575565 374790561 /nfs/dbraw/zinc/79/05/61/374790561.db2.gz IRWRXZSHDQQTFK-UHFFFAOYSA-N 1 0 255.362 -0.009 20 30 CBEDRO C=C[C@@H](O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000646894261 374834348 /nfs/dbraw/zinc/83/43/48/374834348.db2.gz RGLURVDWXZLPTQ-GFCCVEGCSA-N 1 0 254.330 -0.144 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000263854056 190082144 /nfs/dbraw/zinc/08/21/44/190082144.db2.gz VTURSTOYTGXQHG-GFCCVEGCSA-N 1 0 263.341 -0.322 20 30 CBEDRO Cn1c(NC[C@H]2CC[N@H+](C)C2)c(C#N)c(=O)n(C)c1=O ZINC000264129157 190092265 /nfs/dbraw/zinc/09/22/65/190092265.db2.gz MGQGXNSQSNDQIN-SECBINFHSA-N 1 0 277.328 -0.681 20 30 CBEDRO N#Cc1cnn(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1N ZINC000371241995 248804801 /nfs/dbraw/zinc/80/48/01/248804801.db2.gz LRADQDBDUQZVEZ-SNVBAGLBSA-N 1 0 260.301 -0.633 20 30 CBEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000378413441 296269958 /nfs/dbraw/zinc/26/99/58/296269958.db2.gz FGGVZUSJRSOPOD-LLVKDONJSA-N 1 0 266.345 -0.041 20 30 CBEDRO C#CCNC(NCCN1CCCS1(=O)=O)=[NH+]CC ZINC000262654357 220254824 /nfs/dbraw/zinc/25/48/24/220254824.db2.gz WIZHLWCWWBRYBH-UHFFFAOYSA-N 1 0 272.374 -0.790 20 30 CBEDRO C[C@@H]1OCC[C@@]1(O)CNC(=[NH2+])N1CCSCC1 ZINC000262701250 220255587 /nfs/dbraw/zinc/25/55/87/220255587.db2.gz ATBUENPLSPLREJ-GXSJLCMTSA-N 1 0 259.375 -0.110 20 30 CBEDRO CO[C@@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCOC1 ZINC000262636638 220255462 /nfs/dbraw/zinc/25/54/62/220255462.db2.gz GHNGNKCKKLRPEJ-ZYHUDNBSSA-N 1 0 257.334 -0.125 20 30 CBEDRO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cnn(C)c1C#N ZINC000347090530 218116603 /nfs/dbraw/zinc/11/66/03/218116603.db2.gz OJJWENPUZOJGJT-PWSUYJOCSA-N 1 0 291.355 -0.181 20 30 CBEDRO CNC(=O)CN1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262754761 220255954 /nfs/dbraw/zinc/25/59/54/220255954.db2.gz 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254.286 -0.952 20 30 CBEDRO C#CCN1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184078 582331900 /nfs/dbraw/zinc/33/19/00/582331900.db2.gz NFYVLOKUUIWZMX-AWEZNQCLSA-N 1 0 279.384 -0.268 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000767775907 582333025 /nfs/dbraw/zinc/33/30/25/582333025.db2.gz XVPMVJKXOBRDSY-UHFFFAOYSA-N 1 0 251.330 -0.287 20 30 CBEDRO C#CCOCCNC(=O)NCC[N@H+](CC)CCO ZINC000769519214 582336150 /nfs/dbraw/zinc/33/61/50/582336150.db2.gz KGUHIBJXOOVGII-UHFFFAOYSA-N 1 0 257.334 -0.750 20 30 CBEDRO CN(CCO)c1ccc(C=[NH+]OCC(N)=O)cc1 ZINC000771577342 582341053 /nfs/dbraw/zinc/34/10/53/582341053.db2.gz DUKBYMPQOIRNKZ-UHFFFAOYSA-N 1 0 251.286 -0.049 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771786712 582341598 /nfs/dbraw/zinc/34/15/98/582341598.db2.gz UYLSLUWIYFTPEZ-UHFFFAOYSA-N 1 0 293.323 -0.480 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771799736 582341623 /nfs/dbraw/zinc/34/16/23/582341623.db2.gz MEISMGFULUJDNF-AWEZNQCLSA-N 1 0 279.384 -0.486 20 30 CBEDRO N#Cc1ccc([C@@H](O)CN2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000772225152 582342695 /nfs/dbraw/zinc/34/26/95/582342695.db2.gz DSQXKWLHOOCDNW-STQMWFEESA-N 1 0 295.364 -0.046 20 30 CBEDRO C#C[C@H](C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000773598075 582348159 /nfs/dbraw/zinc/34/81/59/582348159.db2.gz LMCFJWCVMKPXGE-NWDGAFQWSA-N 1 0 280.372 -0.105 20 30 CBEDRO CON=CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000774025124 582349094 /nfs/dbraw/zinc/34/90/94/582349094.db2.gz PBCPWVZDTOSPBK-LLVKDONJSA-N 1 0 255.318 -0.201 20 30 CBEDRO C=C(CO)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000774103639 582349430 /nfs/dbraw/zinc/34/94/30/582349430.db2.gz QDBZHQITORYLHI-NSHDSACASA-N 1 0 256.346 -0.162 20 30 CBEDRO CON=CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000774099873 582349476 /nfs/dbraw/zinc/34/94/76/582349476.db2.gz HKCLPTYCHUZBPC-JTQLQIEISA-N 1 0 257.334 -0.078 20 30 CBEDRO C#C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000775784916 582353143 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N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCN1CCCC1=O ZINC000834494562 583126169 /nfs/dbraw/zinc/12/61/69/583126169.db2.gz OEDIREXWDGHMMH-UWVGGRQHSA-N 1 0 250.302 -0.773 20 30 CBEDRO Cc1sc(=O)n(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC000834494897 583126497 /nfs/dbraw/zinc/12/64/97/583126497.db2.gz QPQYKLICVUQMKH-VHSXEESVSA-N 1 0 280.353 -0.246 20 30 CBEDRO CC(C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)N1CCCC1=O ZINC000834495385 583126516 /nfs/dbraw/zinc/12/65/16/583126516.db2.gz VBZSRGKKEOMBNP-GMXVVIOVSA-N 1 0 278.356 -0.139 20 30 CBEDRO CN1CC[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000834501007 583127691 /nfs/dbraw/zinc/12/76/91/583127691.db2.gz YWQNDXVUXINJQW-GUBZILKMSA-N 1 0 250.302 -0.917 20 30 CBEDRO CN(C)C(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834504433 583128065 /nfs/dbraw/zinc/12/80/65/583128065.db2.gz AZAGMSLWEZWWOX-IUCAKERBSA-N 1 0 250.302 -0.917 20 30 CBEDRO COc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000834504734 583128201 /nfs/dbraw/zinc/12/82/01/583128201.db2.gz DWTJGVBHOGDTPQ-CABZTGNLSA-N 1 0 260.297 -0.140 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cncc(-n2ccnn2)c1 ZINC000834505446 583128362 /nfs/dbraw/zinc/12/83/62/583128362.db2.gz LBVAQAMTOXPQPW-ZYHUDNBSSA-N 1 0 283.295 -0.496 20 30 CBEDRO CC(=O)N[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(C)C ZINC000834505716 583128383 /nfs/dbraw/zinc/12/83/83/583128383.db2.gz NDCVVPAYNFQRIP-DCAQKATOSA-N 1 0 252.318 -0.625 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1nnc2ccccc2c1=O ZINC000834512056 583128648 /nfs/dbraw/zinc/12/86/48/583128648.db2.gz RIYDSGWTUWUOLH-SKDRFNHKSA-N 1 0 298.306 -0.981 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1ccccc1 ZINC000834512016 583128769 /nfs/dbraw/zinc/12/87/69/583128769.db2.gz QYDIDYCXBWWTSY-NEPJUHHUSA-N 1 0 272.308 -0.356 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1nnc2ccccc2c1=O ZINC000834512053 583128787 /nfs/dbraw/zinc/12/87/87/583128787.db2.gz RIYDSGWTUWUOLH-BXKDBHETSA-N 1 0 298.306 -0.981 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CCSC1=O ZINC000834512201 583129035 /nfs/dbraw/zinc/12/90/35/583129035.db2.gz STKFBYJLVBBWNL-HTQZYQBOSA-N 1 0 254.315 -0.617 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000834516684 583129474 /nfs/dbraw/zinc/12/94/74/583129474.db2.gz KQRYMEDFVQHTSL-GXSJLCMTSA-N 1 0 286.291 -0.141 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(OCC(N)=O)c1 ZINC000834517163 583129557 /nfs/dbraw/zinc/12/95/57/583129557.db2.gz RFZNXNCCFICDQC-PWSUYJOCSA-N 1 0 288.307 -0.608 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)C1CCCCC1 ZINC000834517776 583129801 /nfs/dbraw/zinc/12/98/01/583129801.db2.gz ZASIECUWIIQXID-RYUDHWBXSA-N 1 0 278.356 -0.089 20 30 CBEDRO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834521680 583129817 /nfs/dbraw/zinc/12/98/17/583129817.db2.gz PUFYNLPNSQPFIM-YUMQZZPRSA-N 1 0 298.324 -0.971 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COCC(F)(F)F ZINC000834521118 583129833 /nfs/dbraw/zinc/12/98/33/583129833.db2.gz CWJHWLKOOTWKKQ-NKWVEPMBSA-N 1 0 251.208 -0.207 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(CC)C1=O ZINC000836449742 583141975 /nfs/dbraw/zinc/14/19/75/583141975.db2.gz RCKYWQOMNODJMY-LBPRGKRZSA-N 1 0 280.372 -0.139 20 30 CBEDRO C#CCOCCNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000838548351 583150656 /nfs/dbraw/zinc/15/06/56/583150656.db2.gz MKQSBSHVUJSMOV-BETUJISGSA-N 1 0 281.356 -0.201 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000839194009 583155015 /nfs/dbraw/zinc/15/50/15/583155015.db2.gz AOLCUYDBERXOIV-CABCVRRESA-N 1 0 291.395 -0.125 20 30 CBEDRO C#C[C@H]([NH2+]CCC(=O)NC(=O)NC)[C@H]1CCCO1 ZINC000839564702 583156393 /nfs/dbraw/zinc/15/63/93/583156393.db2.gz SKQVNILEXSPVEL-VHSXEESVSA-N 1 0 253.302 -0.398 20 30 CBEDRO C#CCNC(=O)C[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000839674357 583157708 /nfs/dbraw/zinc/15/77/08/583157708.db2.gz NVDYVVXBBCYTEU-UHFFFAOYSA-N 1 0 267.373 -0.222 20 30 CBEDRO C#CCOCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000840343550 583164068 /nfs/dbraw/zinc/16/40/68/583164068.db2.gz CNEPYTKAFVUWPN-LBPRGKRZSA-N 1 0 297.355 -0.618 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000840453343 583165063 /nfs/dbraw/zinc/16/50/63/583165063.db2.gz OHXZFOMCXHMEPN-CHWSQXEVSA-N 1 0 268.357 -0.012 20 30 CBEDRO C#CCOCCC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840502650 583165423 /nfs/dbraw/zinc/16/54/23/583165423.db2.gz CXMYUIIKPFMPKE-GFCCVEGCSA-N 1 0 282.340 -0.411 20 30 CBEDRO N#Cc1ccc(NCCNC(=O)N2CC[NH2+]CC2)nc1 ZINC000841701907 583173326 /nfs/dbraw/zinc/17/33/26/583173326.db2.gz XETOGGXWNMJAMY-UHFFFAOYSA-N 1 0 274.328 -0.020 20 30 CBEDRO C#CCSCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000841832614 583174993 /nfs/dbraw/zinc/17/49/93/583174993.db2.gz QUPXOKWPYYBOFO-LLVKDONJSA-N 1 0 270.402 -0.363 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000841876143 583175565 /nfs/dbraw/zinc/17/55/65/583175565.db2.gz QQAVHQVOGVIDLS-UHFFFAOYSA-N 1 0 289.401 -0.019 20 30 CBEDRO C#C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881432 583176268 /nfs/dbraw/zinc/17/62/68/583176268.db2.gz QYSTVPMZYSWOHF-RWMBFGLXSA-N 1 0 280.372 -0.549 20 30 CBEDRO C#Cc1cccc(CNC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000842032619 583178924 /nfs/dbraw/zinc/17/89/24/583178924.db2.gz GRXZTJLYEUCNQL-UHFFFAOYSA-N 1 0 257.293 -0.628 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)[C@@H]1CCCO1 ZINC000842163075 583180263 /nfs/dbraw/zinc/18/02/63/583180263.db2.gz KGBIQSIYIDJRHO-UTUOFQBUSA-N 1 0 281.356 -0.602 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CCCO1 ZINC000842162190 583180390 /nfs/dbraw/zinc/18/03/90/583180390.db2.gz FRTFGAGSWKZXJD-RWMBFGLXSA-N 1 0 295.383 -0.227 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000842164874 583180594 /nfs/dbraw/zinc/18/05/94/583180594.db2.gz YAAKKHOKIOOZCI-RWMBFGLXSA-N 1 0 293.367 -0.458 20 30 CBEDRO CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459587 583221623 /nfs/dbraw/zinc/22/16/23/583221623.db2.gz GISFUYRTNODETM-SRVKXCTJSA-N 1 0 293.371 -0.203 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1sccc1-n1cnnn1 ZINC000843458864 583221697 /nfs/dbraw/zinc/22/16/97/583221697.db2.gz AQYVBQBRAFZMNV-JGVFFNPUSA-N 1 0 289.324 -0.435 20 30 CBEDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459617 583221705 /nfs/dbraw/zinc/22/17/05/583221705.db2.gz FKYKRWUBYWQTAQ-CBAPKCEASA-N 1 0 263.257 -0.225 20 30 CBEDRO COC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000843461048 583222070 /nfs/dbraw/zinc/22/20/70/583222070.db2.gz RWHYBXOVSJOELA-ONGXEEELSA-N 1 0 274.280 -0.290 20 30 CBEDRO CC(=O)N[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CCCC1 ZINC000843460532 583222105 /nfs/dbraw/zinc/22/21/05/583222105.db2.gz HSKMKEBPFLYJFZ-AVGNSLFASA-N 1 0 278.356 -0.091 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000843461203 583222552 /nfs/dbraw/zinc/22/25/52/583222552.db2.gz KLIJPKRHTQMNFV-PWSUYJOCSA-N 1 0 283.295 -0.496 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000843461511 583222574 /nfs/dbraw/zinc/22/25/74/583222574.db2.gz VEPIAZWEXWTSTR-KOLCDFICSA-N 1 0 294.336 -0.825 20 30 CBEDRO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)CS2 ZINC000843461443 583222636 /nfs/dbraw/zinc/22/26/36/583222636.db2.gz LLVXXXSFDBHXFR-YVNDNENWSA-N 1 0 294.380 -0.332 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1OCC(N)=O ZINC000843461591 583222725 /nfs/dbraw/zinc/22/27/25/583222725.db2.gz LXUQPWQZFCKTIT-KOLCDFICSA-N 1 0 288.307 -0.608 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC(=O)NCC(F)(F)F ZINC000843461833 583223039 /nfs/dbraw/zinc/22/30/39/583223039.db2.gz XGDHRRNDICMBOV-BQBZGAKWSA-N 1 0 278.234 -0.717 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000843462998 583223053 /nfs/dbraw/zinc/22/30/53/583223053.db2.gz UGNPAODDBGYWCT-VXGBXAGGSA-N 1 0 297.322 -0.432 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1-n1cnnn1 ZINC000843461782 583223190 /nfs/dbraw/zinc/22/31/90/583223190.db2.gz NLSRYYYZLSDYHJ-MWLCHTKSSA-N 1 0 283.295 -0.496 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000843464002 583223481 /nfs/dbraw/zinc/22/34/81/583223481.db2.gz YUGKOAZTDQMVFR-YUMQZZPRSA-N 1 0 264.245 -0.981 20 30 CBEDRO COC(=O)NC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843463067 583223624 /nfs/dbraw/zinc/22/36/24/583223624.db2.gz UNRUSULPFYEYMS-YUMQZZPRSA-N 1 0 254.290 -0.651 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000843464001 583223696 /nfs/dbraw/zinc/22/36/96/583223696.db2.gz YUGKOAZTDQMVFR-SFYZADRCSA-N 1 0 264.245 -0.981 20 30 CBEDRO C=CCNC(=O)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843492305 583228909 /nfs/dbraw/zinc/22/89/09/583228909.db2.gz DGJZCVRBZAWEGE-JTQLQIEISA-N 1 0 255.318 -0.827 20 30 CBEDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C#N)o2)CC1=O ZINC000844762946 583281304 /nfs/dbraw/zinc/28/13/04/583281304.db2.gz QVDPTASHGBNXDJ-UHFFFAOYSA-N 1 0 290.323 -0.003 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000845221163 583296930 /nfs/dbraw/zinc/29/69/30/583296930.db2.gz RLFVFNXCXANJBY-PHIMTYICSA-N 1 0 266.345 -0.495 20 30 CBEDRO C#Cc1cnc(N2CCN(CC[NH+](C)C)C(=O)C2)nc1 ZINC000845628126 583331654 /nfs/dbraw/zinc/33/16/54/583331654.db2.gz BAXQLPOIINAWNU-UHFFFAOYSA-N 1 0 273.340 -0.332 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CCOCCOC)CC1 ZINC000846617503 583377833 /nfs/dbraw/zinc/37/78/33/583377833.db2.gz RQYHYTUQLZTZJK-UHFFFAOYSA-N 1 0 299.415 -0.089 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(n2cnnn2)CCCCC1 ZINC000846678154 583382576 /nfs/dbraw/zinc/38/25/76/583382576.db2.gz RBTWYMQKPLDLOI-MNOVXSKESA-N 1 0 289.343 -0.440 20 30 CBEDRO Cc1nnnn1-c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000846676801 583382656 /nfs/dbraw/zinc/38/26/56/583382656.db2.gz HLJYZAAKOABASR-AAEUAGOBSA-N 1 0 297.322 -0.188 20 30 CBEDRO C#CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCCCN2C)C1=O ZINC000846702324 583385142 /nfs/dbraw/zinc/38/51/42/583385142.db2.gz MCPFVMCKEWWUSR-VXGBXAGGSA-N 1 0 263.341 -0.179 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000847579497 583410621 /nfs/dbraw/zinc/41/06/21/583410621.db2.gz JDYMVKGYWIWBOS-UHFFFAOYSA-N 1 0 264.329 -0.311 20 30 CBEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cn1nc(C)n(C)c1=O ZINC000847640395 583412590 /nfs/dbraw/zinc/41/25/90/583412590.db2.gz JCUHEDAAGDGTTO-LBPRGKRZSA-N 1 0 292.339 -0.469 20 30 CBEDRO C#CCC[C@@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848035377 583421346 /nfs/dbraw/zinc/42/13/46/583421346.db2.gz SWVHRMMLALKTLH-GFCCVEGCSA-N 1 0 278.356 -0.051 20 30 CBEDRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC000848132275 583430447 /nfs/dbraw/zinc/43/04/47/583430447.db2.gz JPGYZIHPKCSHHR-VHSXEESVSA-N 1 0 255.318 -0.175 20 30 CBEDRO C#CCCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848934687 583463139 /nfs/dbraw/zinc/46/31/39/583463139.db2.gz CRCIHRDMVKQAHG-TXEJJXNPSA-N 1 0 265.357 -0.028 20 30 CBEDRO CCS(=O)(=O)N(C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000848993078 583465031 /nfs/dbraw/zinc/46/50/31/583465031.db2.gz SZBXJXLPESASGT-SECBINFHSA-N 1 0 262.379 -0.405 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cc(C)on1 ZINC000848991334 583465126 /nfs/dbraw/zinc/46/51/26/583465126.db2.gz XHMFANOUSIRTEO-UHFFFAOYSA-N 1 0 281.360 -0.020 20 30 CBEDRO C[C@@H]1C[NH+]=C(NCCCn2nc3n(c2=O)CCCC3)N1 ZINC000848994946 583465423 /nfs/dbraw/zinc/46/54/23/583465423.db2.gz QORUMLRXDXEMRO-SNVBAGLBSA-N 1 0 278.360 -0.292 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1nc(C)no1 ZINC000848995937 583465504 /nfs/dbraw/zinc/46/55/04/583465504.db2.gz ORGSSYWTNCNZAQ-UHFFFAOYSA-N 1 0 282.348 -0.625 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@H](COC)OC ZINC000849017302 583468508 /nfs/dbraw/zinc/46/85/08/583468508.db2.gz RIODFSSOQSJTJV-GFCCVEGCSA-N 1 0 288.392 -0.855 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(CO)CCC1 ZINC000849018262 583468510 /nfs/dbraw/zinc/46/85/10/583468510.db2.gz HOORQYSXRUKIGY-UHFFFAOYSA-N 1 0 284.404 -0.354 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](COC)OC ZINC000849017304 583468563 /nfs/dbraw/zinc/46/85/63/583468563.db2.gz RIODFSSOQSJTJV-LBPRGKRZSA-N 1 0 288.392 -0.855 20 30 CBEDRO CCn1cc(CNC(NCCN2CCOCC2)=[NH+]C)cn1 ZINC000849027266 583469493 /nfs/dbraw/zinc/46/94/93/583469493.db2.gz KPIIEKKVQZVIKY-UHFFFAOYSA-N 1 0 294.403 -0.100 20 30 CBEDRO COC[C@H](C)NC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000849027359 583469526 /nfs/dbraw/zinc/46/95/26/583469526.db2.gz SXIFZQNVEOCDFH-QMMMGPOBSA-N 1 0 251.294 -0.701 20 30 CBEDRO CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)OC ZINC000849029824 583469897 /nfs/dbraw/zinc/46/98/97/583469897.db2.gz OYXJFTZKDVATQU-GFCCVEGCSA-N 1 0 272.393 -0.091 20 30 CBEDRO CNC(NCC1(N2CCOCC2)CCOCC1)=[NH+]C ZINC000849040037 583470983 /nfs/dbraw/zinc/47/09/83/583470983.db2.gz GQQXRUJYQLYXLF-UHFFFAOYSA-N 1 0 270.377 -0.337 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCC1(COC)CC1 ZINC000849050218 583472031 /nfs/dbraw/zinc/47/20/31/583472031.db2.gz VQLJSEKYAGKKCY-UHFFFAOYSA-N 1 0 284.404 -0.090 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000849181567 583473481 /nfs/dbraw/zinc/47/34/81/583473481.db2.gz QLQFGHJANIAJFZ-SUNKGSAMSA-N 1 0 262.309 -0.285 20 30 CBEDRO CCNC(NCCCN1C(=O)CNC1=O)=[NH+]CC ZINC000849214625 583473968 /nfs/dbraw/zinc/47/39/68/583473968.db2.gz YLALJWCGQDBQRH-UHFFFAOYSA-N 1 0 255.322 -0.497 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000849328025 583477359 /nfs/dbraw/zinc/47/73/59/583477359.db2.gz VYFXHSKHDUROEY-NWDGAFQWSA-N 1 0 254.330 -0.233 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851658338 583518316 /nfs/dbraw/zinc/51/83/16/583518316.db2.gz GIEUJBXKJQAOFT-VIFPVBQESA-N 1 0 263.363 -0.506 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851659524 583518508 /nfs/dbraw/zinc/51/85/08/583518508.db2.gz UXMFIWRLDSYUCI-UHFFFAOYSA-N 1 0 287.385 -0.362 20 30 CBEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000851679574 583520166 /nfs/dbraw/zinc/52/01/66/583520166.db2.gz CBCJXCHXAWGNKN-ZYHUDNBSSA-N 1 0 265.361 -0.024 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000851684811 583520854 /nfs/dbraw/zinc/52/08/54/583520854.db2.gz LKDLTICEVGCUPS-VXGBXAGGSA-N 1 0 293.367 -0.329 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)[C@H]1CCCO1 ZINC000851684922 583520981 /nfs/dbraw/zinc/52/09/81/583520981.db2.gz NAQLSQIFCOEQAH-XWAURUHHSA-N 1 0 291.351 -0.767 20 30 CBEDRO C#C[C@@H]([NH2+]CCN1C(=O)CN(C)C1=O)[C@@H]1CCCO1 ZINC000851950651 583531964 /nfs/dbraw/zinc/53/19/64/583531964.db2.gz QTLOOELLMYURLK-MNOVXSKESA-N 1 0 265.313 -0.349 20 30 CBEDRO C#C[C@H]([NH2+]CCN1C(=O)CN(C)C1=O)[C@H]1CCCO1 ZINC000851950653 583532016 /nfs/dbraw/zinc/53/20/16/583532016.db2.gz QTLOOELLMYURLK-WDEREUQCSA-N 1 0 265.313 -0.349 20 30 CBEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000852099811 583537148 /nfs/dbraw/zinc/53/71/48/583537148.db2.gz QHPFIAGHSDVFMB-MFKMUULPSA-N 1 0 253.346 -0.029 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296566 583542167 /nfs/dbraw/zinc/54/21/67/583542167.db2.gz XTKVGEMIYVAPBK-UHFFFAOYSA-N 1 0 261.325 -0.004 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000852320186 583542794 /nfs/dbraw/zinc/54/27/94/583542794.db2.gz GZYHVOIACDEZRE-AWEZNQCLSA-N 1 0 279.384 -0.486 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852317738 583543009 /nfs/dbraw/zinc/54/30/09/583543009.db2.gz SHFSXHVYPVTYED-NWDGAFQWSA-N 1 0 261.329 -0.262 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000852350762 583543112 /nfs/dbraw/zinc/54/31/12/583543112.db2.gz XBLVOJKUTDOIPG-JHJVBQTASA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCNC(=O)[C@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710441 583550798 /nfs/dbraw/zinc/55/07/98/583550798.db2.gz PMGLRBMCDGFYFB-JSGCOSHPSA-N 1 0 279.384 -0.345 20 30 CBEDRO C#CCNC(=O)[C@@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710443 583550929 /nfs/dbraw/zinc/55/09/29/583550929.db2.gz PMGLRBMCDGFYFB-OCCSQVGLSA-N 1 0 279.384 -0.345 20 30 CBEDRO C[C@H](Cn1cncn1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852815827 583555183 /nfs/dbraw/zinc/55/51/83/583555183.db2.gz AXZYHKGTSRKPCW-LLVKDONJSA-N 1 0 261.329 -0.214 20 30 CBEDRO CC(C)(C)n1nnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000852828238 583557502 /nfs/dbraw/zinc/55/75/02/583557502.db2.gz VZPBIIOYIYAKPU-JGVFFNPUSA-N 1 0 263.305 -0.731 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000852828474 583557551 /nfs/dbraw/zinc/55/75/51/583557551.db2.gz YCOSHKJHNZHHPI-KVSVUVNWSA-N 1 0 290.367 -0.091 20 30 CBEDRO C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000852842813 583559412 /nfs/dbraw/zinc/55/94/12/583559412.db2.gz JBSGWOSWDKWBID-LLVKDONJSA-N 1 0 284.381 -0.365 20 30 CBEDRO C[C@@H]1CS(=O)(=O)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852842956 583559605 /nfs/dbraw/zinc/55/96/05/583559605.db2.gz MLOYGBOTYQLGMH-LLVKDONJSA-N 1 0 284.381 -0.365 20 30 CBEDRO COCCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857542 583561886 /nfs/dbraw/zinc/56/18/86/583561886.db2.gz WVPFNXVWZCQALX-UHFFFAOYSA-N 1 0 279.384 -0.220 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000852876346 583566158 /nfs/dbraw/zinc/56/61/58/583566158.db2.gz YZWVETUXCXERLR-CLMDRAMFSA-N 1 0 274.280 -0.381 20 30 CBEDRO COCCN(CC(=O)OC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852886143 583568774 /nfs/dbraw/zinc/56/87/74/583568774.db2.gz YBKHQFATESYXAE-UHFFFAOYSA-N 1 0 282.340 -0.363 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852893325 583570702 /nfs/dbraw/zinc/57/07/02/583570702.db2.gz NVIIZWLSBFAIFR-QXEWZRGKSA-N 1 0 253.302 -0.203 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000852895225 583570929 /nfs/dbraw/zinc/57/09/29/583570929.db2.gz ZSQNQXNOTXOGHK-OLZOCXBDSA-N 1 0 291.351 -0.054 20 30 CBEDRO CCN1C[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852896022 583571282 /nfs/dbraw/zinc/57/12/82/583571282.db2.gz PUTWDJNZRJKPRK-CYBMUJFWSA-N 1 0 277.368 -0.026 20 30 CBEDRO CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CCC1=O ZINC000852909800 583573662 /nfs/dbraw/zinc/57/36/62/583573662.db2.gz AMGWWRFJARNNAZ-UHFFFAOYSA-N 1 0 263.341 -0.320 20 30 CBEDRO C[C@]1(C(N)=O)CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852913225 583573805 /nfs/dbraw/zinc/57/38/05/583573805.db2.gz OUDWZHLWAPLXMW-AWEZNQCLSA-N 1 0 263.341 -0.287 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H]3COC[C@H]3C2)C1=O ZINC000853002657 583576802 /nfs/dbraw/zinc/57/68/02/583576802.db2.gz RVNXWFOUSZWGLL-TUAOUCFPSA-N 1 0 262.309 -0.285 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000853002659 583576914 /nfs/dbraw/zinc/57/69/14/583576914.db2.gz RVNXWFOUSZWGLL-WOPDTQHZSA-N 1 0 262.309 -0.285 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000854544050 583607281 /nfs/dbraw/zinc/60/72/81/583607281.db2.gz IRBWOVFRKFHBDX-QWRGUYRKSA-N 1 0 256.371 -0.076 20 30 CBEDRO C#CC[C@@H](CO)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000854549832 583607890 /nfs/dbraw/zinc/60/78/90/583607890.db2.gz LCBFLKKJDIPIDF-NSHDSACASA-N 1 0 264.329 -0.441 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H]1CCC(=O)N1 ZINC000854664100 583614750 /nfs/dbraw/zinc/61/47/50/583614750.db2.gz MJGWRNJLMXOHED-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC000854664192 583614837 /nfs/dbraw/zinc/61/48/37/583614837.db2.gz PMMFDJTYLFEAKJ-LLVKDONJSA-N 1 0 289.401 -0.485 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC000854663705 583614905 /nfs/dbraw/zinc/61/49/05/583614905.db2.gz DGDXJLIFANERBP-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C=C(CO)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346933 583636523 /nfs/dbraw/zinc/63/65/23/583636523.db2.gz OYYYSRCJGLYTAY-LBPRGKRZSA-N 1 0 257.378 -0.077 20 30 CBEDRO C#CCONC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000855603535 583644341 /nfs/dbraw/zinc/64/43/41/583644341.db2.gz QZWAAJHFEYXFDN-SNVBAGLBSA-N 1 0 253.302 -0.923 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000858493244 583696348 /nfs/dbraw/zinc/69/63/48/583696348.db2.gz NHECVOZESMMATA-LBPRGKRZSA-N 1 0 296.371 -0.773 20 30 CBEDRO C#CCNC(=O)[C@H](C)N1CCC([NH+]2CCOCC2)CC1 ZINC000859357926 583715701 /nfs/dbraw/zinc/71/57/01/583715701.db2.gz OOIGLWZKHUFHNB-ZDUSSCGKSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CCSCCNC(=O)N(C)CCOCC[NH3+] ZINC000861590219 583771968 /nfs/dbraw/zinc/77/19/68/583771968.db2.gz OJFRDZRXKMJFFX-UHFFFAOYSA-N 1 0 259.375 -0.031 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861617617 583772485 /nfs/dbraw/zinc/77/24/85/583772485.db2.gz KTWMUJFORYWILU-VHSXEESVSA-N 1 0 275.374 -0.363 20 30 CBEDRO C#C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H]1CCCO1 ZINC000861616549 583772491 /nfs/dbraw/zinc/77/24/91/583772491.db2.gz AYYJLZDEQFSHSX-VXGBXAGGSA-N 1 0 281.356 -0.026 20 30 CBEDRO C#C[C@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H]1CCCO1 ZINC000861616546 583772532 /nfs/dbraw/zinc/77/25/32/583772532.db2.gz AYYJLZDEQFSHSX-NWDGAFQWSA-N 1 0 281.356 -0.026 20 30 CBEDRO C#C[C@@H](NC(=O)NCCOCC[NH2+]C)[C@H]1CCCO1 ZINC000861618413 583772737 /nfs/dbraw/zinc/77/27/37/583772737.db2.gz RVWFMTFSZWMORL-VXGBXAGGSA-N 1 0 269.345 -0.298 20 30 CBEDRO C#C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H]1CCCO1 ZINC000861618652 583772754 /nfs/dbraw/zinc/77/27/54/583772754.db2.gz TWCFXMFDIOTMMC-RYUDHWBXSA-N 1 0 281.356 -0.026 20 30 CBEDRO C=CCSCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861741993 583783064 /nfs/dbraw/zinc/78/30/64/583783064.db2.gz BNNHPBNHUDTVGM-SECBINFHSA-N 1 0 259.375 -0.173 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCCO1 ZINC000861752282 583783963 /nfs/dbraw/zinc/78/39/63/583783963.db2.gz DNKYMBVHBZCJRH-RVMXOQNASA-N 1 0 293.367 -0.460 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC000861752200 583784054 /nfs/dbraw/zinc/78/40/54/583784054.db2.gz AMJHZFOOPFXOBX-NDBYEHHHSA-N 1 0 293.367 -0.460 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@H]1CCCO1 ZINC000861753025 583784241 /nfs/dbraw/zinc/78/42/41/583784241.db2.gz RORPNTYCRCIMGS-OUAUKWLOSA-N 1 0 267.329 -0.911 20 30 CBEDRO C=CCN(C(=O)C(=O)NCCOCCC[NH3+])C(C)C ZINC000861806376 583787840 /nfs/dbraw/zinc/78/78/40/583787840.db2.gz CKPKDCIVYGHZLA-UHFFFAOYSA-N 1 0 271.361 -0.109 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000861838486 583789018 /nfs/dbraw/zinc/78/90/18/583789018.db2.gz FRPXNVJSYBDGJO-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC000862841133 583824892 /nfs/dbraw/zinc/82/48/92/583824892.db2.gz GQLUUHSIGGBVEF-UHFFFAOYSA-N 1 0 299.396 -0.908 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000863319438 583837490 /nfs/dbraw/zinc/83/74/90/583837490.db2.gz QTFLKEVFLNUBFU-CYBMUJFWSA-N 1 0 259.309 -0.141 20 30 CBEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000863588854 583847837 /nfs/dbraw/zinc/84/78/37/583847837.db2.gz IASZGDVOPBACJQ-UONOGXRCSA-N 1 0 270.373 -0.303 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000863771964 583855744 /nfs/dbraw/zinc/85/57/44/583855744.db2.gz PMJAXXAKNHRZIB-LLVKDONJSA-N 1 0 251.330 -0.466 20 30 CBEDRO C=CC[NH+]=C(NCC(=O)N(C)C)NC[C@@H](O)C(F)(F)F ZINC000864236404 583875955 /nfs/dbraw/zinc/87/59/55/583875955.db2.gz JNPAFXDYGIJQJF-MRVPVSSYSA-N 1 0 296.293 -0.281 20 30 CBEDRO 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C#CC1(O)CC[NH+](C[C@@H](O)CN(C)CCOC)CC1 ZINC000708103890 656191803 /nfs/dbraw/zinc/19/18/03/656191803.db2.gz KZKSLBUDLMGPGG-ZDUSSCGKSA-N 1 0 270.373 -0.614 20 30 CBEDRO C#CCCCS(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000710324615 656197276 /nfs/dbraw/zinc/19/72/76/656197276.db2.gz VABRAWDACVKXEL-UHFFFAOYSA-N 1 0 273.402 -0.433 20 30 CBEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000716320843 656222980 /nfs/dbraw/zinc/22/29/80/656222980.db2.gz DACIHPQBHFVILE-CMPLNLGQSA-N 1 0 282.300 -0.220 20 30 CBEDRO C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000717290641 656227716 /nfs/dbraw/zinc/22/77/16/656227716.db2.gz BGKIXRMMRKJRRL-ZWKOPEQDSA-N 1 0 250.298 -0.077 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719079288 656234734 /nfs/dbraw/zinc/23/47/34/656234734.db2.gz SWZQUKFJPIGJJC-JTQLQIEISA-N 1 0 283.328 -0.307 20 30 CBEDRO C#C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)[C@@H]1CCCO1 ZINC000775794515 656238787 /nfs/dbraw/zinc/23/87/87/656238787.db2.gz 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ZINC001077091342 805684243 /nfs/dbraw/zinc/68/42/43/805684243.db2.gz WHUODROEISMFKG-HZSPNIEDSA-N 1 0 279.384 -0.345 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 ZINC001077123378 805686508 /nfs/dbraw/zinc/68/65/08/805686508.db2.gz CESCUYBQGAFRKZ-VXGBXAGGSA-N 1 0 293.371 -0.043 20 30 CBEDRO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC#N)C[C@H]1O ZINC001077131597 805688229 /nfs/dbraw/zinc/68/82/29/805688229.db2.gz HTNNGLPKBSMPTH-MGPQQGTHSA-N 1 0 294.399 -0.066 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3ccncc23)C1 ZINC001077144738 805688413 /nfs/dbraw/zinc/68/84/13/805688413.db2.gz WBLHMPAYSQWMPR-TZMCWYRMSA-N 1 0 299.334 -0.473 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001077126739 805689112 /nfs/dbraw/zinc/68/91/12/805689112.db2.gz NCAFBILGHHUBHG-QJPTWQEYSA-N 1 0 281.356 -0.750 20 30 CBEDRO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001077138493 805689130 /nfs/dbraw/zinc/68/91/30/805689130.db2.gz 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C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001077533479 805743734 /nfs/dbraw/zinc/74/37/34/805743734.db2.gz INKMTSUZOPDFEL-QJPTWQEYSA-N 1 0 281.356 -0.798 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001077557313 805746141 /nfs/dbraw/zinc/74/61/41/805746141.db2.gz ZTUMJBMGXZXIBL-VXGBXAGGSA-N 1 0 265.313 -0.046 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001077549906 805747227 /nfs/dbraw/zinc/74/72/27/805747227.db2.gz ISYCCZVFZJOBQF-LALPHHSUSA-N 1 0 295.383 -0.360 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)c2cncnc2)C1 ZINC001077563480 805749041 /nfs/dbraw/zinc/74/90/41/805749041.db2.gz ONNVUZPBJRLLQQ-MRVWCRGKSA-N 1 0 288.351 -0.235 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077625104 805757454 /nfs/dbraw/zinc/75/74/54/805757454.db2.gz QYNDZBUBBWZROT-ZYHUDNBSSA-N 1 0 294.355 -0.133 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001077652239 805760789 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C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC=C)nn2)C1 ZINC001077801170 805784730 /nfs/dbraw/zinc/78/47/30/805784730.db2.gz FZSAYIBIJUBYNO-DGCLKSJQSA-N 1 0 291.355 -0.185 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077822990 805786249 /nfs/dbraw/zinc/78/62/49/805786249.db2.gz OACDSISDXMECAY-DGAVXFQQSA-N 1 0 298.383 -0.489 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077822780 805786988 /nfs/dbraw/zinc/78/69/88/805786988.db2.gz ASICLUGTJBRZPF-LOWDOPEQSA-N 1 0 284.356 -0.879 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncn2)C1 ZINC001077866145 805796869 /nfs/dbraw/zinc/79/68/69/805796869.db2.gz XBVZNWRFCWCHGX-VXGBXAGGSA-N 1 0 262.313 -0.172 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077900664 805806808 /nfs/dbraw/zinc/80/68/08/805806808.db2.gz IMNUECQYJGGBJH-VXGBXAGGSA-N 1 0 292.339 -0.535 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976719 805815984 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/nfs/dbraw/zinc/92/71/40/805927140.db2.gz OJKHJPVKHKWDIB-BXKDBHETSA-N 1 0 262.313 -0.071 20 30 CBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001079605736 805931916 /nfs/dbraw/zinc/93/19/16/805931916.db2.gz VXHGPXRNMZJIHN-MWLCHTKSSA-N 1 0 261.329 -0.314 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001079799269 805944855 /nfs/dbraw/zinc/94/48/55/805944855.db2.gz YAIAKNASLKUAPZ-JHJVBQTASA-N 1 0 277.368 -0.076 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001079842561 805946509 /nfs/dbraw/zinc/94/65/09/805946509.db2.gz IIGATFZCALTYPR-FRRDWIJNSA-N 1 0 277.368 -0.028 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859363 805949354 /nfs/dbraw/zinc/94/93/54/805949354.db2.gz SVDFRNGTPAZDOV-CHWSQXEVSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001079879390 805949972 /nfs/dbraw/zinc/94/99/72/805949972.db2.gz PLYRIQCGKCGDPL-MCIONIFRSA-N 1 0 279.384 -0.487 20 30 CBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001079894911 805950308 /nfs/dbraw/zinc/95/03/08/805950308.db2.gz KMCHDIABDVABLF-IJLUTSLNSA-N 1 0 263.341 -0.418 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001079877084 805950387 /nfs/dbraw/zinc/95/03/87/805950387.db2.gz KTNKRHRQEIKLTK-OUAUKWLOSA-N 1 0 294.355 -0.403 20 30 CBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001080075533 805959447 /nfs/dbraw/zinc/95/94/47/805959447.db2.gz CMVLEOXULDJXDI-JHJVBQTASA-N 1 0 292.383 -0.153 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001080290791 805968011 /nfs/dbraw/zinc/96/80/11/805968011.db2.gz RKDNZMUYWUYQDL-JHJVBQTASA-N 1 0 277.368 -0.076 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080257915 805965649 /nfs/dbraw/zinc/96/56/49/805965649.db2.gz GCBHKCKWLAFTAR-CHWSQXEVSA-N 1 0 294.399 -0.569 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001080265331 805969328 /nfs/dbraw/zinc/96/93/28/805969328.db2.gz ZWDIBFVXKWAADO-UTUOFQBUSA-N 1 0 278.356 -0.530 20 30 CBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080439092 805983456 /nfs/dbraw/zinc/98/34/56/805983456.db2.gz BLYFTLHKBAYUGR-WISYIIOYSA-N 1 0 281.356 -0.358 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080460862 805987145 /nfs/dbraw/zinc/98/71/45/805987145.db2.gz XQEPAWGNIQNOEZ-WISYIIOYSA-N 1 0 263.341 -0.432 20 30 CBEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nonc2C)C1 ZINC001080696208 806005146 /nfs/dbraw/zinc/00/51/46/806005146.db2.gz PMKVJFNSNRDAON-BXKDBHETSA-N 1 0 262.313 -0.010 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001080812028 806009332 /nfs/dbraw/zinc/00/93/32/806009332.db2.gz KLAGQNXHALZWBV-GRYCIOLGSA-N 1 0 263.341 -0.275 20 30 CBEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001080959373 806019222 /nfs/dbraw/zinc/01/92/22/806019222.db2.gz 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C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@H](OC)C1 ZINC001081518831 806092698 /nfs/dbraw/zinc/09/26/98/806092698.db2.gz YODXXAIHJICDNN-JHJVBQTASA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](OC)C1 ZINC001081599059 806105116 /nfs/dbraw/zinc/10/51/16/806105116.db2.gz KRQPWHYNAXHOBJ-ZIAGYGMSSA-N 1 0 293.367 -0.697 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001081606970 806105349 /nfs/dbraw/zinc/10/53/49/806105349.db2.gz BOVKTPOFGXOKFA-OUAUKWLOSA-N 1 0 283.328 -0.514 20 30 CBEDRO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 ZINC001081612270 806108291 /nfs/dbraw/zinc/10/82/91/806108291.db2.gz IPELLGRSULANEY-GRYCIOLGSA-N 1 0 297.355 -0.124 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@H](OC)C1 ZINC001081819806 806124637 /nfs/dbraw/zinc/12/46/37/806124637.db2.gz JQMSFWKRRPIPFD-JHJVBQTASA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@H](OC)C1 ZINC001081884668 806130104 /nfs/dbraw/zinc/13/01/04/806130104.db2.gz IHJUTXBDPIWZBC-JHJVBQTASA-N 1 0 293.367 -0.649 20 30 CBEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H](OC)C1 ZINC001082039945 806140440 /nfs/dbraw/zinc/14/04/40/806140440.db2.gz OVDHTDUOKIEWQT-YNEHKIRRSA-N 1 0 295.383 -0.144 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@H](OC)C1 ZINC001082064118 806144110 /nfs/dbraw/zinc/14/41/10/806144110.db2.gz RCNJJASDXKGIJN-YRGRVCCFSA-N 1 0 284.331 -0.046 20 30 CBEDRO C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)[C@H](OC)C1 ZINC001082123857 806149159 /nfs/dbraw/zinc/14/91/59/806149159.db2.gz ILXMRLLZLPZTEK-YNEHKIRRSA-N 1 0 293.367 -0.506 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)[C@H](OC)C1 ZINC001082169823 806151809 /nfs/dbraw/zinc/15/18/09/806151809.db2.gz NMWRWQBUQSFYPO-CHWSQXEVSA-N 1 0 274.324 -0.071 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)[C@H](OC)C1 ZINC001082249262 806158167 /nfs/dbraw/zinc/15/81/67/806158167.db2.gz 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C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001082684795 806189638 /nfs/dbraw/zinc/18/96/38/806189638.db2.gz OINWSSQFOZLXBM-MXWKQRLJSA-N 1 0 266.345 -0.368 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1C ZINC001082697099 806191250 /nfs/dbraw/zinc/19/12/50/806191250.db2.gz LHDFXKULDULUTF-JMSVASOKSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001082908530 806196373 /nfs/dbraw/zinc/19/63/73/806196373.db2.gz QIGZBHNOAZLRAC-OUAUKWLOSA-N 1 0 292.339 -0.956 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1C ZINC001082859068 806197458 /nfs/dbraw/zinc/19/74/58/806197458.db2.gz RLGZPACXLOWNLC-JTNHKYCSSA-N 1 0 287.367 -0.021 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC(=O)N3)[C@H]2C1 ZINC001083025068 806214939 /nfs/dbraw/zinc/21/49/39/806214939.db2.gz PRAYTAOUJXBRII-FRRDWIJNSA-N 1 0 291.351 -0.800 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COC(=O)N3)[C@H]2C1 ZINC001083067662 806221489 /nfs/dbraw/zinc/22/14/89/806221489.db2.gz YDAKRFBYQGMCPM-GRYCIOLGSA-N 1 0 293.323 -0.970 20 30 CBEDRO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nccn3)[C@H]2C1 ZINC001083094038 806227642 /nfs/dbraw/zinc/22/76/42/806227642.db2.gz KWULCYGSXYIWPT-QWHCGFSZSA-N 1 0 291.355 -0.234 20 30 CBEDRO CC[C@H](C(=O)N1CCO[C@@H]2CN(CC#N)C[C@@H]21)[NH+](C)C ZINC001083119302 806230030 /nfs/dbraw/zinc/23/00/30/806230030.db2.gz LPOLBCLCOFHDFE-FRRDWIJNSA-N 1 0 280.372 -0.238 20 30 CBEDRO C#CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248053 806242693 /nfs/dbraw/zinc/24/26/93/806242693.db2.gz PQIKHECUDOCPBD-SOUVJXGZSA-N 1 0 291.395 -0.127 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001083324575 806266895 /nfs/dbraw/zinc/26/68/95/806266895.db2.gz FOHFVGJZEUYNSW-MNOVXSKESA-N 1 0 278.312 -0.467 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001083331581 806269504 /nfs/dbraw/zinc/26/95/04/806269504.db2.gz OODKOTRKETXRRI-NEPJUHHUSA-N 1 0 281.356 -0.654 20 30 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C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)C1 ZINC001054007512 802323461 /nfs/dbraw/zinc/32/34/61/802323461.db2.gz FZUKBDQGODXEDC-NWDGAFQWSA-N 1 0 278.356 -0.579 20 30 CBEDRO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001054186041 802327748 /nfs/dbraw/zinc/32/77/48/802327748.db2.gz BVZQSPASIPXDNX-IUODEOHRSA-N 1 0 290.367 -0.385 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)C2=COCCO2)C[C@H]1C ZINC001054357611 802338135 /nfs/dbraw/zinc/33/81/35/802338135.db2.gz UCSGAOHYXNQQPF-MNOVXSKESA-N 1 0 250.298 -0.056 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001054366090 802339685 /nfs/dbraw/zinc/33/96/85/802339685.db2.gz JWFBLFDVOLXXOZ-VHSXEESVSA-N 1 0 250.306 -0.704 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C ZINC001054391841 802344253 /nfs/dbraw/zinc/34/42/53/802344253.db2.gz LFADIKZCQJKUCL-VXGBXAGGSA-N 1 0 261.329 -0.262 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001054462315 802345023 /nfs/dbraw/zinc/34/50/23/802345023.db2.gz UBQKFMGMSDERDW-NXEZZACHSA-N 1 0 258.343 -0.899 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001054456083 802346333 /nfs/dbraw/zinc/34/63/33/802346333.db2.gz BYBHTEVADZBFFN-ZJUUUORDSA-N 1 0 260.359 -0.347 20 30 CBEDRO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001054545452 802353844 /nfs/dbraw/zinc/35/38/44/802353844.db2.gz CEUUQNFPTVXWSP-GZMMTYOYSA-N 1 0 275.312 -0.578 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001054595182 802357750 /nfs/dbraw/zinc/35/77/50/802357750.db2.gz CAAYXTWVMCVXCE-MNOVXSKESA-N 1 0 279.344 -0.004 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C ZINC001054634649 802361512 /nfs/dbraw/zinc/36/15/12/802361512.db2.gz KEZSPPVRLOKFTP-MWLCHTKSSA-N 1 0 261.329 -0.275 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1C ZINC001054735043 802367180 /nfs/dbraw/zinc/36/71/80/802367180.db2.gz DWJKWHXDZWWNLW-CMPLNLGQSA-N 1 0 274.324 -0.041 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C ZINC001054746814 802369179 /nfs/dbraw/zinc/36/91/79/802369179.db2.gz GFMQAPWEJSKBAS-OLZOCXBDSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1C ZINC001054819098 802371320 /nfs/dbraw/zinc/37/13/20/802371320.db2.gz BOXDNEJGIVHKFO-CMPLNLGQSA-N 1 0 284.381 -0.509 20 30 CBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054822867 802371715 /nfs/dbraw/zinc/37/17/15/802371715.db2.gz DIPQOKDRLIMRLX-NWDGAFQWSA-N 1 0 293.371 -0.406 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1C ZINC001054819705 802372015 /nfs/dbraw/zinc/37/20/15/802372015.db2.gz KVLIPFIVLXXJRX-QWRGUYRKSA-N 1 0 279.344 -0.796 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C ZINC001054820885 802372213 /nfs/dbraw/zinc/37/22/13/802372213.db2.gz VJBYMGHWKKWCCF-OLZOCXBDSA-N 1 0 294.399 -0.617 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C ZINC001054872533 802374995 /nfs/dbraw/zinc/37/49/95/802374995.db2.gz KYWPYKVAWGLHMX-GHMZBOCLSA-N 1 0 292.339 -0.429 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1C ZINC001054876044 802377435 /nfs/dbraw/zinc/37/74/35/802377435.db2.gz LRSBILLQLGPKHZ-RYUDHWBXSA-N 1 0 291.351 -0.405 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C ZINC001054930210 802380577 /nfs/dbraw/zinc/38/05/77/802380577.db2.gz KIUTZTOTVZSOMY-NEPJUHHUSA-N 1 0 291.355 -0.958 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1C ZINC001054968027 802381637 /nfs/dbraw/zinc/38/16/37/802381637.db2.gz APPVKSMFOUCZPB-RYUDHWBXSA-N 1 0 280.372 -0.959 20 30 CBEDRO C=CC[NH2+][C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001054981003 802381699 /nfs/dbraw/zinc/38/16/99/802381699.db2.gz KHDCOHFTAKUMHB-BDAKNGLRSA-N 1 0 250.306 -0.554 20 30 CBEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001054981004 802381735 /nfs/dbraw/zinc/38/17/35/802381735.db2.gz KHDCOHFTAKUMHB-DTWKUNHWSA-N 1 0 250.306 -0.554 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001055014351 802383878 /nfs/dbraw/zinc/38/38/78/802383878.db2.gz DMDCKNJQUYIRBZ-PWSUYJOCSA-N 1 0 289.335 -0.009 20 30 CBEDRO C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001055023614 802389109 /nfs/dbraw/zinc/38/91/09/802389109.db2.gz RFRFMOHPVSTNET-ZWNOBZJWSA-N 1 0 286.335 -0.020 20 30 CBEDRO C=CCCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057168560 802495740 /nfs/dbraw/zinc/49/57/40/802495740.db2.gz KVSYRQUHKRVDGS-UHFFFAOYSA-N 1 0 285.388 -0.159 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632367 802517750 /nfs/dbraw/zinc/51/77/50/802517750.db2.gz MYXDLVVXWODCBK-NEPJUHHUSA-N 1 0 296.371 -0.965 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632369 802517973 /nfs/dbraw/zinc/51/79/73/802517973.db2.gz MYXDLVVXWODCBK-RYUDHWBXSA-N 1 0 296.371 -0.965 20 30 CBEDRO CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)[NH+](C)C ZINC001057974144 802528381 /nfs/dbraw/zinc/52/83/81/802528381.db2.gz LEIITLSDWRVTQP-VXGBXAGGSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)[NH+](C)C ZINC001058168570 802534976 /nfs/dbraw/zinc/53/49/76/802534976.db2.gz LEIITLSDWRVTQP-RYUDHWBXSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058658998 802560571 /nfs/dbraw/zinc/56/05/71/802560571.db2.gz QCQNFANMPORIBI-GFCCVEGCSA-N 1 0 296.371 -0.821 20 30 CBEDRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)C#N ZINC001058817230 802565051 /nfs/dbraw/zinc/56/50/51/802565051.db2.gz BTVCWPDRSCDDHJ-LBPRGKRZSA-N 1 0 298.387 -0.575 20 30 CBEDRO C=CCn1cc(CNC(=O)N2CC[C@H]([NH3+])C2)nn1 ZINC001118149101 812479564 /nfs/dbraw/zinc/47/95/64/812479564.db2.gz XBMWIOSKXLVLFH-VIFPVBQESA-N 1 0 250.306 -0.293 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001117397068 812397644 /nfs/dbraw/zinc/39/76/44/812397644.db2.gz UJTCGHKOGOQILT-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001118149211 812479124 /nfs/dbraw/zinc/47/91/24/812479124.db2.gz AAGHSKYZOBUKJJ-QWRGUYRKSA-N 1 0 254.334 -0.987 20 30 CBEDRO C=CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC001117943794 812459091 /nfs/dbraw/zinc/45/90/91/812459091.db2.gz ADWWLMDFULMMOW-VXGBXAGGSA-N 1 0 282.340 -0.227 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001117980470 812461163 /nfs/dbraw/zinc/46/11/63/812461163.db2.gz IUDUEAPNNUGABW-GRYCIOLGSA-N 1 0 279.340 -0.767 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC001118044763 812465266 /nfs/dbraw/zinc/46/52/66/812465266.db2.gz MBUSMLPIEOGMKP-NEPJUHHUSA-N 1 0 281.356 -0.342 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001119569277 812812428 /nfs/dbraw/zinc/81/24/28/812812428.db2.gz FSCUMAFFQHFALJ-UHFFFAOYSA-N 1 0 269.345 -0.667 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](COC)OC)C2)C1 ZINC001148250491 814936081 /nfs/dbraw/zinc/93/60/81/814936081.db2.gz YCZULHWWVSTDMI-GFCCVEGCSA-N 1 0 266.341 -0.185 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](COC)C(=O)OC ZINC001121957826 813096607 /nfs/dbraw/zinc/09/66/07/813096607.db2.gz HDEWYRCKTWQRBL-NXEZZACHSA-N 1 0 258.318 -0.026 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(F)F ZINC001122432169 813163753 /nfs/dbraw/zinc/16/37/53/813163753.db2.gz KKXRSNHZLNSDNV-SSDOTTSWSA-N 1 0 292.286 -0.642 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1COCCO1 ZINC001123876804 813285481 /nfs/dbraw/zinc/28/54/81/813285481.db2.gz MHCNRCUGRNPKAZ-NSHDSACASA-N 1 0 258.318 -0.690 20 30 CBEDRO C=CC[C@]1(C(=O)NCC(C)(CO)CO)CCC[NH2+]1 ZINC001122527029 813173641 /nfs/dbraw/zinc/17/36/41/813173641.db2.gz YBFQALKGTNIKOL-CYBMUJFWSA-N 1 0 256.346 -0.208 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCCO1 ZINC001124034505 813394812 /nfs/dbraw/zinc/39/48/12/813394812.db2.gz ZPBZDOANQUGQTI-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124488059 813445751 /nfs/dbraw/zinc/44/57/51/813445751.db2.gz JJAWWZJAWOWNBR-GFCCVEGCSA-N 1 0 298.387 -0.301 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCC(C)C ZINC001124325278 813431567 /nfs/dbraw/zinc/43/15/67/813431567.db2.gz IAFLSUTXMQXGLY-GFCCVEGCSA-N 1 0 283.372 -0.497 20 30 CBEDRO C=CCC[N@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128612818 813784746 /nfs/dbraw/zinc/78/47/46/813784746.db2.gz UMGUSKFETYPOGO-NEPJUHHUSA-N 1 0 279.344 -0.158 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CCC1 ZINC001129142680 813819679 /nfs/dbraw/zinc/81/96/79/813819679.db2.gz LBCYNNAWYFBDIF-SNVBAGLBSA-N 1 0 294.355 -0.531 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001129120832 813820334 /nfs/dbraw/zinc/82/03/34/813820334.db2.gz FMDFTHULIQYAFU-UHFFFAOYSA-N 1 0 276.340 -0.474 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+]CC(=O)NC)CCOCC1 ZINC001129116844 813820988 /nfs/dbraw/zinc/82/09/88/813820988.db2.gz KJGCWNPMHAOLHS-UHFFFAOYSA-N 1 0 281.356 -0.742 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCn1ccnn1 ZINC001129169359 813823803 /nfs/dbraw/zinc/82/38/03/813823803.db2.gz WSKJRKQFMMPWNX-UHFFFAOYSA-N 1 0 294.359 -0.934 20 30 CBEDRO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]CC(N)=O ZINC001131867812 814076969 /nfs/dbraw/zinc/07/69/69/814076969.db2.gz WASSCKJWFXILDW-LBPRGKRZSA-N 1 0 257.334 -0.594 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)C(C)C ZINC001133350351 814245900 /nfs/dbraw/zinc/24/59/00/814245900.db2.gz FSMIHGCQKOFERD-LBPRGKRZSA-N 1 0 271.361 -0.335 20 30 CBEDRO CC(F)(F)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133446527 814256087 /nfs/dbraw/zinc/25/60/87/814256087.db2.gz GZWNKSHPVUPIBU-UHFFFAOYSA-N 1 0 262.260 -0.623 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788367 814414401 /nfs/dbraw/zinc/41/44/01/814414401.db2.gz ZPWQOSNHWAQJTM-VXGBXAGGSA-N 1 0 293.371 -0.522 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788366 814414519 /nfs/dbraw/zinc/41/45/19/814414519.db2.gz ZPWQOSNHWAQJTM-RYUDHWBXSA-N 1 0 293.371 -0.522 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC ZINC001133595919 814275243 /nfs/dbraw/zinc/27/52/43/814275243.db2.gz UCLPGKFOOUSREQ-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1CC ZINC001133584225 814275516 /nfs/dbraw/zinc/27/55/16/814275516.db2.gz QBTAYHVYKXQDDB-UHFFFAOYSA-N 1 0 278.312 -0.694 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H]2CCNC2=O)c1 ZINC001133593198 814275853 /nfs/dbraw/zinc/27/58/53/814275853.db2.gz SPPUNVAROXKFOY-LBPRGKRZSA-N 1 0 272.308 -0.729 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(=O)NCC(F)F ZINC001134822364 814414646 /nfs/dbraw/zinc/41/46/46/814414646.db2.gz VCBVGJRREGLPNV-RKDXNWHRSA-N 1 0 275.299 -0.126 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]CCO ZINC001134817511 814414831 /nfs/dbraw/zinc/41/48/31/814414831.db2.gz YVHFPGFVPPCVFB-NSHDSACASA-N 1 0 257.334 -0.845 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134640872 814403259 /nfs/dbraw/zinc/40/32/59/814403259.db2.gz ODEJWEXOFSSPAG-CYBMUJFWSA-N 1 0 284.356 -0.605 20 30 CBEDRO C#CCOc1ncccc1C(=O)NCC[NH2+]CCO ZINC001148329909 814938162 /nfs/dbraw/zinc/93/81/62/814938162.db2.gz WHBIUTJMSLNWKG-UHFFFAOYSA-N 1 0 263.297 -0.595 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(CC)on1 ZINC001148315984 814938482 /nfs/dbraw/zinc/93/84/82/814938482.db2.gz FGUXTCGAGJOOGI-SNVBAGLBSA-N 1 0 292.339 -0.306 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427919 814943929 /nfs/dbraw/zinc/94/39/29/814943929.db2.gz VBSZHXHDYIHQJL-JTQLQIEISA-N 1 0 255.318 -0.827 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148560068 814949416 /nfs/dbraw/zinc/94/94/16/814949416.db2.gz XHSAMEUBWOYPDC-UHFFFAOYSA-N 1 0 264.329 -0.166 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148629347 814952772 /nfs/dbraw/zinc/95/27/72/814952772.db2.gz PREBPIJWSPMFIW-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO CNC(=O)C1(C(=O)NCC[NH2+]CC#CCOC)CCC1 ZINC001148603243 814952801 /nfs/dbraw/zinc/95/28/01/814952801.db2.gz MLEMGOHDKLNLIY-UHFFFAOYSA-N 1 0 281.356 -0.742 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C ZINC001148700712 814957154 /nfs/dbraw/zinc/95/71/54/814957154.db2.gz GSCWEJDLKPAYHL-UHFFFAOYSA-N 1 0 284.360 -0.250 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CNC(=O)c1ccccc1 ZINC001148716160 814957587 /nfs/dbraw/zinc/95/75/87/814957587.db2.gz QRCLKNRSLHUSOU-UHFFFAOYSA-N 1 0 259.309 -0.245 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)COc1ccccc1 ZINC001148859890 814959158 /nfs/dbraw/zinc/95/91/58/814959158.db2.gz UDTBQJBUFWHZBT-UHFFFAOYSA-N 1 0 290.323 -0.589 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1c(F)cccc1F ZINC001148935468 814960011 /nfs/dbraw/zinc/96/00/11/814960011.db2.gz SLROXQHQVKULRE-UHFFFAOYSA-N 1 0 296.277 -0.076 20 30 CBEDRO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001148880765 814960568 /nfs/dbraw/zinc/96/05/68/814960568.db2.gz IFMYAEYSKWGWMI-NEPJUHHUSA-N 1 0 295.383 -0.014 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CC ZINC001321464496 803769764 /nfs/dbraw/zinc/76/97/64/803769764.db2.gz PMQCOSJEUVYKKR-WDEREUQCSA-N 1 0 253.346 -0.124 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001321463400 803770563 /nfs/dbraw/zinc/77/05/63/803770563.db2.gz BYXZUPZSYAQVDX-NEPJUHHUSA-N 1 0 272.345 -0.301 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001321500442 803775934 /nfs/dbraw/zinc/77/59/34/803775934.db2.gz SNHNQBOJTQNQAM-NXEZZACHSA-N 1 0 271.317 -0.608 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001321499351 803776058 /nfs/dbraw/zinc/77/60/58/803776058.db2.gz CTGUUHVFWAHLCG-RISCZKNCSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001321511582 803778887 /nfs/dbraw/zinc/77/88/87/803778887.db2.gz RBLNXWAXLSMETK-LLVKDONJSA-N 1 0 283.372 -0.312 20 30 CBEDRO C[C@H](CNCC#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001321522129 803779323 /nfs/dbraw/zinc/77/93/23/803779323.db2.gz DPGMDNPUNXAPIM-LLVKDONJSA-N 1 0 278.360 -0.324 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001321532649 803782233 /nfs/dbraw/zinc/78/22/33/803782233.db2.gz LVOOPHWYQJPDQM-SNVBAGLBSA-N 1 0 277.390 -0.404 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001321549561 803783083 /nfs/dbraw/zinc/78/30/83/803783083.db2.gz HHWOFNJKBSDCLZ-ZJUUUORDSA-N 1 0 298.387 -0.717 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1cncs1 ZINC001321551549 803783410 /nfs/dbraw/zinc/78/34/10/803783410.db2.gz SHNKRDFFUVPIFD-SNVBAGLBSA-N 1 0 294.380 -0.471 20 30 CBEDRO C=C(CO)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001149003838 814965337 /nfs/dbraw/zinc/96/53/37/814965337.db2.gz HMVPXTGUVZHAGF-UHFFFAOYSA-N 1 0 255.362 -0.323 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001321575994 803786398 /nfs/dbraw/zinc/78/63/98/803786398.db2.gz VJUQIZVYKPRHNE-VXGBXAGGSA-N 1 0 280.372 -0.105 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001321575940 803786619 /nfs/dbraw/zinc/78/66/19/803786619.db2.gz VAKJYXLGPMSBCO-MNOVXSKESA-N 1 0 266.345 -0.495 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001321597809 803789292 /nfs/dbraw/zinc/78/92/92/803789292.db2.gz HOAPGINZEUKTRJ-NWDGAFQWSA-N 1 0 295.383 -0.096 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC001321666233 803799261 /nfs/dbraw/zinc/79/92/61/803799261.db2.gz UUUBYWZAQKRSMN-UHFFFAOYSA-N 1 0 275.312 -0.169 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001321709435 803803865 /nfs/dbraw/zinc/80/38/65/803803865.db2.gz CJKYMLMPBKXVCL-NXEZZACHSA-N 1 0 268.361 -0.203 20 30 CBEDRO CNC(=O)C1(C(=O)N[C@H](C)C[NH2+]CC#CCOC)CCC1 ZINC001321719961 803806201 /nfs/dbraw/zinc/80/62/01/803806201.db2.gz IJPXJKULLHYFJM-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001321724214 803806856 /nfs/dbraw/zinc/80/68/56/803806856.db2.gz WQFOVEKYHCEGKI-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC001149055229 814967846 /nfs/dbraw/zinc/96/78/46/814967846.db2.gz PARQYPBHAIMFCS-RYUDHWBXSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H](CCC)NC(N)=O ZINC001149095209 814967855 /nfs/dbraw/zinc/96/78/55/814967855.db2.gz WBKALGFFRTUYOG-SNVBAGLBSA-N 1 0 254.334 -0.448 20 30 CBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC001149055230 814967947 /nfs/dbraw/zinc/96/79/47/814967947.db2.gz PARQYPBHAIMFCS-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001321801355 803816402 /nfs/dbraw/zinc/81/64/02/803816402.db2.gz RDCGYPFPGZZDOC-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnc(C)s1 ZINC001321801290 803816588 /nfs/dbraw/zinc/81/65/88/803816588.db2.gz QCILXSZOWFLQLN-VIFPVBQESA-N 1 0 294.380 -0.091 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1ccon1 ZINC001321812420 803818825 /nfs/dbraw/zinc/81/88/25/803818825.db2.gz UHTIOVYEZRZYGG-JTQLQIEISA-N 1 0 280.328 -0.386 20 30 CBEDRO CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001321815522 803819259 /nfs/dbraw/zinc/81/92/59/803819259.db2.gz XFWCYKYWWVSIFJ-UWVGGRQHSA-N 1 0 290.389 -0.820 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnn(CC)c1 ZINC001321815527 803820089 /nfs/dbraw/zinc/82/00/89/803820089.db2.gz XKRPYJCIILMNMP-NSHDSACASA-N 1 0 293.371 -0.087 20 30 CBEDRO C[C@@H](C[NH2+]CCOCCO)NC(=O)c1ccc(C#N)[nH]1 ZINC001321824334 803821494 /nfs/dbraw/zinc/82/14/94/803821494.db2.gz XZHVENHNGUERRT-JTQLQIEISA-N 1 0 280.328 -0.397 20 30 CBEDRO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149082359 814968416 /nfs/dbraw/zinc/96/84/16/814968416.db2.gz NBMQJSCDUDQZDT-LBPRGKRZSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC(C)(C)O ZINC001321831765 803823591 /nfs/dbraw/zinc/82/35/91/803823591.db2.gz NSWWVMJQUTVEDD-JTQLQIEISA-N 1 0 271.361 -0.456 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001321842840 803825272 /nfs/dbraw/zinc/82/52/72/803825272.db2.gz YEMASGSYSRYUTQ-LBPRGKRZSA-N 1 0 278.356 -0.293 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(CC)C1=O ZINC001321842558 803825521 /nfs/dbraw/zinc/82/55/21/803825521.db2.gz VLGAQPBZWFLOFR-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C[C@@H](CNCC#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001321848105 803826531 /nfs/dbraw/zinc/82/65/31/803826531.db2.gz DPGMDNPUNXAPIM-NSHDSACASA-N 1 0 278.360 -0.324 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001321852624 803827809 /nfs/dbraw/zinc/82/78/09/803827809.db2.gz ZRDDOKAEXZMPQD-GFCCVEGCSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321852625 803828920 /nfs/dbraw/zinc/82/89/20/803828920.db2.gz ZRDDOKAEXZMPQD-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001321885855 803834014 /nfs/dbraw/zinc/83/40/14/803834014.db2.gz GAJNEEHUCXJLOI-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001321897322 803835852 /nfs/dbraw/zinc/83/58/52/803835852.db2.gz QPWBNXXPKMTYFN-QWRGUYRKSA-N 1 0 290.385 -0.836 20 30 CBEDRO C=CCCCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001321965147 803845185 /nfs/dbraw/zinc/84/51/85/803845185.db2.gz AMTGRPCIVBLSMZ-VIFPVBQESA-N 1 0 270.333 -0.368 20 30 CBEDRO COCC[N@H+](C)CCNC(=O)C(=O)NCCCC#N ZINC001322002299 803849051 /nfs/dbraw/zinc/84/90/51/803849051.db2.gz LQMITWOGHAUQNQ-UHFFFAOYSA-N 1 0 270.333 -0.899 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001321991568 803849156 /nfs/dbraw/zinc/84/91/56/803849156.db2.gz MZYNDXQYBAXSOQ-JTQLQIEISA-N 1 0 276.340 -0.308 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001321992624 803849333 /nfs/dbraw/zinc/84/93/33/803849333.db2.gz YGUGBKOONSUOBQ-QJPTWQEYSA-N 1 0 265.357 -0.124 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC)nn1 ZINC001322013044 803850589 /nfs/dbraw/zinc/85/05/89/803850589.db2.gz MARVVCJNZANFBI-VHSXEESVSA-N 1 0 294.359 -0.694 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001322098939 803858579 /nfs/dbraw/zinc/85/85/79/803858579.db2.gz LDKZBSRQOJANCO-UWVGGRQHSA-N 1 0 267.329 -0.290 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1[nH]cnc1C ZINC001322098625 803858629 /nfs/dbraw/zinc/85/86/29/803858629.db2.gz KGVMARJUXHZISR-VIFPVBQESA-N 1 0 277.328 -0.825 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CCC1=O ZINC001322131343 803866310 /nfs/dbraw/zinc/86/63/10/803866310.db2.gz XLTTXVRCZDZFBK-GHMZBOCLSA-N 1 0 294.355 -0.268 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001322136265 803866405 /nfs/dbraw/zinc/86/64/05/803866405.db2.gz RUQUOOXWUQMTFD-OLZOCXBDSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001322177061 803869569 /nfs/dbraw/zinc/86/95/69/803869569.db2.gz RPADDZWTHZKTHK-QWRGUYRKSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001322177062 803869989 /nfs/dbraw/zinc/86/99/89/803869989.db2.gz RPADDZWTHZKTHK-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149143492 814973146 /nfs/dbraw/zinc/97/31/46/814973146.db2.gz 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C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)[C@H](O)C1 ZINC001100011607 810989409 /nfs/dbraw/zinc/98/94/09/810989409.db2.gz RXEFKLXRDVAARZ-CHWSQXEVSA-N 1 0 293.371 -0.135 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001157189813 815412572 /nfs/dbraw/zinc/41/25/72/815412572.db2.gz RPXYXJKOBFLIAP-DGCLKSJQSA-N 1 0 274.361 -0.583 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001157189981 815412577 /nfs/dbraw/zinc/41/25/77/815412577.db2.gz WORPMNXCZNTPMH-JOYOIKCWSA-N 1 0 257.334 -0.717 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001157189868 815412662 /nfs/dbraw/zinc/41/26/62/815412662.db2.gz SYGRWOHHRIFUMA-CQSZACIVSA-N 1 0 285.388 -0.112 20 30 CBEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001100011248 810992411 /nfs/dbraw/zinc/99/24/11/810992411.db2.gz NQDTZZMCCPKQLE-STQMWFEESA-N 1 0 291.355 -0.688 20 30 CBEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100027315 810992905 /nfs/dbraw/zinc/99/29/05/810992905.db2.gz ONFIFQQWPXMTJA-RYUDHWBXSA-N 1 0 283.372 -0.408 20 30 CBEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]c2)[C@@H](O)C1 ZINC001100031604 810995777 /nfs/dbraw/zinc/99/57/77/810995777.db2.gz HQBYAVVKCOFRRE-KBPBESRZSA-N 1 0 290.367 -0.083 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100033371 810997842 /nfs/dbraw/zinc/99/78/42/810997842.db2.gz DDQIUVFHDONHLR-MNOVXSKESA-N 1 0 281.356 -0.750 20 30 CBEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](O)C1 ZINC001100034924 810999296 /nfs/dbraw/zinc/99/92/96/810999296.db2.gz WNFGALYQHIXNRP-RYUDHWBXSA-N 1 0 295.383 -0.360 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001157201662 815413738 /nfs/dbraw/zinc/41/37/38/815413738.db2.gz JMDUEUVHLFKGAL-GXFFZTMASA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001157201172 815413896 /nfs/dbraw/zinc/41/38/96/815413896.db2.gz CGXTXKBBYOYBGA-GXFFZTMASA-N 1 0 271.361 -0.327 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001157202903 815413901 /nfs/dbraw/zinc/41/39/01/815413901.db2.gz ZVRYJOLTHGLARD-FZMZJTMJSA-N 1 0 285.388 -0.114 20 30 CBEDRO C#CCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063760 811007233 /nfs/dbraw/zinc/00/72/33/811007233.db2.gz CCZWGLNMKVGTOY-QWHCGFSZSA-N 1 0 267.373 -0.487 20 30 CBEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100055809 811007734 /nfs/dbraw/zinc/00/77/34/811007734.db2.gz JIAHGBVDINFMLG-OLZOCXBDSA-N 1 0 295.383 -0.360 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001157201656 815413931 /nfs/dbraw/zinc/41/39/31/815413931.db2.gz JMDUEUVHLFKGAL-GWCFXTLKSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)COCCCOC)[C@H](O)C1 ZINC001100068841 811011857 /nfs/dbraw/zinc/01/18/57/811011857.db2.gz BSFVGODIVPYSRP-QWHCGFSZSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CC[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC2CC2)[C@@H](O)C1 ZINC001100069258 811012670 /nfs/dbraw/zinc/01/26/70/811012670.db2.gz KBSLZWKGPHKFKV-STQMWFEESA-N 1 0 295.383 -0.360 20 30 CBEDRO CCn1ccnc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157232041 815414383 /nfs/dbraw/zinc/41/43/83/815414383.db2.gz HCKWQAZLOXMVAU-UHFFFAOYSA-N 1 0 292.343 -0.748 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@H](O)C1 ZINC001100072719 811014406 /nfs/dbraw/zinc/01/44/06/811014406.db2.gz ZQUUALUVJHORMK-VXGBXAGGSA-N 1 0 295.383 -0.408 20 30 CBEDRO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CC#N)C[C@@H]1O ZINC001100080857 811016058 /nfs/dbraw/zinc/01/60/58/811016058.db2.gz NJFSTFTWGACSPU-STQMWFEESA-N 1 0 282.388 -0.207 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@H](O)C1 ZINC001100084256 811016530 /nfs/dbraw/zinc/01/65/30/811016530.db2.gz ZCGAODUFXGIMTI-VXGBXAGGSA-N 1 0 295.383 -0.360 20 30 CBEDRO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100104830 811020859 /nfs/dbraw/zinc/02/08/59/811020859.db2.gz AAOSQQGEURAVHZ-VXGBXAGGSA-N 1 0 298.387 -0.438 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)Cc1cncnc1 ZINC001157225980 815414848 /nfs/dbraw/zinc/41/48/48/815414848.db2.gz FDOKOMBRKCJRRL-UHFFFAOYSA-N 1 0 276.340 -0.235 20 30 CBEDRO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C#N)nn1 ZINC001100123016 811022883 /nfs/dbraw/zinc/02/28/83/811022883.db2.gz BIVISICAMGLJTN-NSHDSACASA-N 1 0 288.355 -0.148 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)NC(=O)NC)[C@@H](O)C1 ZINC001100127156 811024358 /nfs/dbraw/zinc/02/43/58/811024358.db2.gz TZUQRLLRORLHFW-QWRGUYRKSA-N 1 0 298.387 -0.569 20 30 CBEDRO CC#CC[N@H+]1CC[C@@H](NC(=O)CCOCCOC)[C@H](O)C1 ZINC001100141067 811027317 /nfs/dbraw/zinc/02/73/17/811027317.db2.gz KLKOUFCYUHIYNV-ZIAGYGMSSA-N 1 0 298.383 -0.386 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001100136120 811028507 /nfs/dbraw/zinc/02/85/07/811028507.db2.gz HXCDHZTXMIAHNQ-KGLIPLIRSA-N 1 0 298.383 -0.386 20 30 CBEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142684 811030432 /nfs/dbraw/zinc/03/04/32/811030432.db2.gz GVOMRKSPRKIMCI-NEPJUHHUSA-N 1 0 281.356 -0.783 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100142946 811031534 /nfs/dbraw/zinc/03/15/34/811031534.db2.gz KQUCRSMTXCTEMC-QWRGUYRKSA-N 1 0 269.345 -0.621 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100166598 811032346 /nfs/dbraw/zinc/03/23/46/811032346.db2.gz LCBGUXDFSFQULP-VOMCLLRMSA-N 1 0 283.372 -0.063 20 30 CBEDRO C=CCCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100171578 811032722 /nfs/dbraw/zinc/03/27/22/811032722.db2.gz DFJOCYZDQAXPOU-UHFFFAOYSA-N 1 0 282.344 -0.368 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100191282 811035930 /nfs/dbraw/zinc/03/59/30/811035930.db2.gz FTKVKXHTIIDTHG-GRZMOONWSA-N 1 0 278.356 -0.091 20 30 CBEDRO C=CCOCC(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100187057 811035969 /nfs/dbraw/zinc/03/59/69/811035969.db2.gz XXQIUDXIHFBLMR-UHFFFAOYSA-N 1 0 269.345 -0.581 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001100191218 811036030 /nfs/dbraw/zinc/03/60/30/811036030.db2.gz CZGUVLFIRRANOJ-KPPDAEKUSA-N 1 0 276.344 -0.041 20 30 CBEDRO C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001100211982 811037922 /nfs/dbraw/zinc/03/79/22/811037922.db2.gz JJHXGMZHVQVKQO-JXQTWKCFSA-N 1 0 279.384 -0.175 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC1CC([NH2+]C[C@@H](C)OC)C1 ZINC001100262879 811041005 /nfs/dbraw/zinc/04/10/05/811041005.db2.gz LCZKERIDQJOQAY-PNESKVBLSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CCC[NH2+]C1CC(CNC(=O)CC(=O)NC)C1 ZINC001100273647 811043387 /nfs/dbraw/zinc/04/33/87/811043387.db2.gz COFCZICKYPDDIM-UHFFFAOYSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001100293177 811046101 /nfs/dbraw/zinc/04/61/01/811046101.db2.gz IYXGBUQKUGXHGE-HTAVTVPLSA-N 1 0 297.355 -0.218 20 30 CBEDRO CN(CCNC(=O)CC[NH+](C)C)c1cnc(C#N)cn1 ZINC001100299621 811046962 /nfs/dbraw/zinc/04/69/62/811046962.db2.gz PKIAWCVDDYILEA-UHFFFAOYSA-N 1 0 276.344 -0.148 20 30 CBEDRO CNC(=O)C[NH2+]C1CC(CNC(=O)C#CC2CC2)C1 ZINC001100314009 811049448 /nfs/dbraw/zinc/04/94/48/811049448.db2.gz YUCWUSFJEVTGJY-UHFFFAOYSA-N 1 0 263.341 -0.370 20 30 CBEDRO C#CCOCCC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100324845 811050036 /nfs/dbraw/zinc/05/00/36/811050036.db2.gz HUQABBKMPMFMNY-WXRRBKDZSA-N 1 0 293.367 -0.601 20 30 CBEDRO C#CCOCCC(=O)NCC1CC([NH2+]C[C@H](C)O)C1 ZINC001100326295 811050290 /nfs/dbraw/zinc/05/02/90/811050290.db2.gz TUWQKXVKOOTEGO-HIFPTAJRSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100323773 811050413 /nfs/dbraw/zinc/05/04/13/811050413.db2.gz LAEBTTCWAGEVQS-HIFPTAJRSA-N 1 0 268.357 -0.109 20 30 CBEDRO C=CC[NH2+]C1CC(CNC(=O)Cn2ncnn2)C1 ZINC001100337424 811051216 /nfs/dbraw/zinc/05/12/16/811051216.db2.gz YHZMKRYVCRWLJB-UHFFFAOYSA-N 1 0 250.306 -0.657 20 30 CBEDRO C=CC[NH2+]C1CC(CNC(=O)[C@H](C)NC(=O)COC)C1 ZINC001100354863 811051967 /nfs/dbraw/zinc/05/19/67/811051967.db2.gz RQSONVIFASMOJE-UNXYVOJBSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=CC[NH2+]C1CC(CNC(=O)CNC(=O)NC)C1 ZINC001100383198 811053774 /nfs/dbraw/zinc/05/37/74/811053774.db2.gz PLLXAKMTJRTWOM-UHFFFAOYSA-N 1 0 254.334 -0.414 20 30 CBEDRO CNC(=O)NCC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100385165 811054486 /nfs/dbraw/zinc/05/44/86/811054486.db2.gz CNAPGNDZWTVBFA-UHFFFAOYSA-N 1 0 296.371 -0.950 20 30 CBEDRO C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001100384366 811055614 /nfs/dbraw/zinc/05/56/14/811055614.db2.gz MTIOMFSKCHTMGR-VOMCLLRMSA-N 1 0 291.351 -0.359 20 30 CBEDRO C=C(C)C[NH2+]C1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001100417245 811055971 /nfs/dbraw/zinc/05/59/71/811055971.db2.gz GKBQUAKPTFXMQY-ILDUYXDCSA-N 1 0 294.355 -0.355 20 30 CBEDRO C#CCC[NH2+]C1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001100417527 811056805 /nfs/dbraw/zinc/05/68/05/811056805.db2.gz UXRHMXBBRKMXSA-ILDUYXDCSA-N 1 0 292.339 -0.908 20 30 CBEDRO CC#CC[NH2+]C1CC(CNC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001100450573 811058415 /nfs/dbraw/zinc/05/84/15/811058415.db2.gz AVKZHZWEIOBGOA-UNXYVOJBSA-N 1 0 286.397 -0.073 20 30 CBEDRO CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001100488533 811060091 /nfs/dbraw/zinc/06/00/91/811060091.db2.gz NYEBCWCLZIDFEO-OTTFEQOBSA-N 1 0 298.408 -0.071 20 30 CBEDRO C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001100488741 811060437 /nfs/dbraw/zinc/06/04/37/811060437.db2.gz YBYWXLAQOAXGSY-OTTFEQOBSA-N 1 0 298.408 -0.071 20 30 CBEDRO N#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2cnco2)C1 ZINC001100549303 811062642 /nfs/dbraw/zinc/06/26/42/811062642.db2.gz NTIKDPCXMIDBED-UHFFFAOYSA-N 1 0 291.311 -0.588 20 30 CBEDRO C#CC[NH2+]C1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001100564441 811063130 /nfs/dbraw/zinc/06/31/30/811063130.db2.gz DDPWEWPQTAYZSY-KPPDAEKUSA-N 1 0 251.330 -0.385 20 30 CBEDRO C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001100563504 811063204 /nfs/dbraw/zinc/06/32/04/811063204.db2.gz KRQKFTQVTGIHLC-WXRRBKDZSA-N 1 0 295.383 -0.191 20 30 CBEDRO CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001100563422 811063221 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CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001159876987 815602956 /nfs/dbraw/zinc/60/29/56/815602956.db2.gz LZZWHZWOGXNSFD-CQSZACIVSA-N 1 0 291.399 -0.068 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)Cn2cnnn2)cc1 ZINC001123313712 813230861 /nfs/dbraw/zinc/23/08/61/813230861.db2.gz WGGULLJRCYAGKN-UHFFFAOYSA-N 1 0 285.311 -0.549 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCCC1=O ZINC001123347995 813234298 /nfs/dbraw/zinc/23/42/98/813234298.db2.gz KPMVDZABOXFKJC-NSHDSACASA-N 1 0 296.371 -0.995 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccco1 ZINC001123422858 813238222 /nfs/dbraw/zinc/23/82/22/813238222.db2.gz CUMOSNUWEYJZOH-UHFFFAOYSA-N 1 0 277.324 -0.333 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(Cl)c[nH]1 ZINC001123466610 813241765 /nfs/dbraw/zinc/24/17/65/813241765.db2.gz JTBZNDZFDGZBIW-UHFFFAOYSA-N 1 0 283.719 -0.373 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCn1cccn1 ZINC001123712825 813263799 /nfs/dbraw/zinc/26/37/99/813263799.db2.gz YQCAUCDZHVHVRU-UHFFFAOYSA-N 1 0 279.344 -0.719 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1O ZINC001123759543 813268407 /nfs/dbraw/zinc/26/84/07/813268407.db2.gz UPZLQRLAKKMSQX-UHFFFAOYSA-N 1 0 275.308 -0.539 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cccn1 ZINC001123753629 813268645 /nfs/dbraw/zinc/26/86/45/813268645.db2.gz YOPNTHFUICLQQN-GFCCVEGCSA-N 1 0 291.355 -0.883 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cccn1 ZINC001123752361 813268939 /nfs/dbraw/zinc/26/89/39/813268939.db2.gz MWMJGUCZBJXPMO-GFCCVEGCSA-N 1 0 293.371 -0.330 20 30 CBEDRO COc1nccc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123792379 813273090 /nfs/dbraw/zinc/27/30/90/813273090.db2.gz VCSSUPQUNVACRB-UHFFFAOYSA-N 1 0 295.368 -0.052 20 30 CBEDRO C[C@@H](NC(=O)C[NH2+]CCNC(=O)CSCC#N)C1CC1 ZINC001123799031 813273571 /nfs/dbraw/zinc/27/35/71/813273571.db2.gz HJQZKDXFOVZLMP-SNVBAGLBSA-N 1 0 298.412 -0.136 20 30 CBEDRO C#CCC1(O)CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001123904676 813291611 /nfs/dbraw/zinc/29/16/11/813291611.db2.gz CWMYISYNAUJGFT-KGLIPLIRSA-N 1 0 291.395 -0.249 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)OCC ZINC001123974305 813302487 /nfs/dbraw/zinc/30/24/87/813302487.db2.gz KRKGGRCNHAMKOH-MNOVXSKESA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCC ZINC001123975440 813303630 /nfs/dbraw/zinc/30/36/30/813303630.db2.gz WZWAZCKTTGWQBB-QWRGUYRKSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCCO1 ZINC001124010602 813387871 /nfs/dbraw/zinc/38/78/71/813387871.db2.gz UPDKDXAIGRAVGU-LLVKDONJSA-N 1 0 267.329 -0.989 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCCO1 ZINC001124020882 813390714 /nfs/dbraw/zinc/39/07/14/813390714.db2.gz SQTIUSVGEWQLQB-VXGBXAGGSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCCO1 ZINC001124021311 813390785 /nfs/dbraw/zinc/39/07/85/813390785.db2.gz USMZRXHBOSKZFA-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC1CC1 ZINC001124026004 813392219 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813418862 /nfs/dbraw/zinc/41/88/62/813418862.db2.gz LVFNVCINPMOFLC-LLVKDONJSA-N 1 0 285.413 -0.027 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccon2)C1=O ZINC001124200676 813419539 /nfs/dbraw/zinc/41/95/39/813419539.db2.gz NOZADTLFGQAZPE-LLVKDONJSA-N 1 0 278.312 -0.219 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cc(C)n[nH]2)C1=O ZINC001124233836 813421066 /nfs/dbraw/zinc/42/10/66/813421066.db2.gz VVYXXAYYGLUUBO-NSHDSACASA-N 1 0 291.355 -0.176 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncs1 ZINC001124239006 813422807 /nfs/dbraw/zinc/42/28/07/813422807.db2.gz VFPVFMBYHIITAE-UHFFFAOYSA-N 1 0 266.326 -0.788 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)OCCCC ZINC001124459652 813442859 /nfs/dbraw/zinc/44/28/59/813442859.db2.gz OVHFETAPFIWMJX-LBPRGKRZSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCC1CC1 ZINC001124479145 813444606 /nfs/dbraw/zinc/44/46/06/813444606.db2.gz JRZMPSCNXVJQAN-RYUDHWBXSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCCC=C ZINC001124495008 813446398 /nfs/dbraw/zinc/44/63/98/813446398.db2.gz LXOHDBJRBOBOHW-STQMWFEESA-N 1 0 295.383 -0.189 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]C[C@H](O)COC ZINC001124487560 813446823 /nfs/dbraw/zinc/44/68/23/813446823.db2.gz FAWLWNIHKLUDSE-NEPJUHHUSA-N 1 0 274.361 -0.319 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCOC2)C1=O ZINC001124501967 813448278 /nfs/dbraw/zinc/44/82/78/813448278.db2.gz PINKQKCITVZBMN-NEPJUHHUSA-N 1 0 281.356 -0.484 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C)s1 ZINC001124539658 813451820 /nfs/dbraw/zinc/45/18/20/813451820.db2.gz NZOGZDSGGVBVAM-SECBINFHSA-N 1 0 294.380 -0.091 20 30 CBEDRO CC[C@@H](OC)C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N ZINC001124566225 813455204 /nfs/dbraw/zinc/45/52/04/813455204.db2.gz GLQHGXCLHMAIDD-GFCCVEGCSA-N 1 0 298.387 -0.121 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)OC ZINC001124565678 813455359 /nfs/dbraw/zinc/45/53/59/813455359.db2.gz 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C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cocn1 ZINC001124799343 813481422 /nfs/dbraw/zinc/48/14/22/813481422.db2.gz USMSWXBUONMNSA-SECBINFHSA-N 1 0 264.285 -0.868 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CSC ZINC001124838457 813485862 /nfs/dbraw/zinc/48/58/62/813485862.db2.gz WQKYYSUZIHDZAQ-QWRGUYRKSA-N 1 0 285.413 -0.171 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001124889862 813496023 /nfs/dbraw/zinc/49/60/23/813496023.db2.gz UPNGTPPPGKLQCS-SNVBAGLBSA-N 1 0 278.312 -0.239 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124889104 813496078 /nfs/dbraw/zinc/49/60/78/813496078.db2.gz PJMQIIXWXJKYPP-JTQLQIEISA-N 1 0 266.345 -0.232 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001124888996 813496230 /nfs/dbraw/zinc/49/62/30/813496230.db2.gz NWQDDUQBKXDMHU-VIFPVBQESA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124890064 813496239 /nfs/dbraw/zinc/49/62/39/813496239.db2.gz WBZYFUPZVQGLCV-NSHDSACASA-N 1 0 266.345 -0.136 20 30 CBEDRO CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124888067 813496305 /nfs/dbraw/zinc/49/63/05/813496305.db2.gz DPCBXACYKQLPCY-JTQLQIEISA-N 1 0 254.334 -0.232 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001124888487 813496875 /nfs/dbraw/zinc/49/68/75/813496875.db2.gz KTKRLFUTEUWNAQ-SNVBAGLBSA-N 1 0 252.318 -0.526 20 30 CBEDRO CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124887912 813496988 /nfs/dbraw/zinc/49/69/88/813496988.db2.gz AMPPKHPFDBZAIG-JTQLQIEISA-N 1 0 254.334 -0.281 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001124894726 813497533 /nfs/dbraw/zinc/49/75/33/813497533.db2.gz AULCZFITCDQCHH-MRVPVSSYSA-N 1 0 294.277 -0.080 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001124902661 813497666 /nfs/dbraw/zinc/49/76/66/813497666.db2.gz LQGVCOZXXYKLOB-JTQLQIEISA-N 1 0 290.389 -0.867 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001124896139 813497695 /nfs/dbraw/zinc/49/76/95/813497695.db2.gz 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C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cn(C)nc1C ZINC001124971402 813507256 /nfs/dbraw/zinc/50/72/56/813507256.db2.gz AHNCQBBMBWVGSV-LLVKDONJSA-N 1 0 293.371 -0.261 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001125005605 813508472 /nfs/dbraw/zinc/50/84/72/813508472.db2.gz IRLNOHOJDPKAMM-NSHDSACASA-N 1 0 294.355 -0.078 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001124999628 813508725 /nfs/dbraw/zinc/50/87/25/813508725.db2.gz WIXFEQBTGMDZOV-UHFFFAOYSA-N 1 0 265.313 -0.119 20 30 CBEDRO CCCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125078358 813513942 /nfs/dbraw/zinc/51/39/42/813513942.db2.gz PWVGWDCESCAMNT-UHFFFAOYSA-N 1 0 270.333 -0.851 20 30 CBEDRO COc1ccc(C[NH2+]CCNC(=O)CC(N)=O)cc1C#N ZINC001125079989 813515366 /nfs/dbraw/zinc/51/53/66/813515366.db2.gz KEVLEEIEOVCBOO-UHFFFAOYSA-N 1 0 290.323 -0.352 20 30 CBEDRO CCc1ocnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125109107 813521989 /nfs/dbraw/zinc/52/19/89/813521989.db2.gz LZRRLHZUGFKGTA-UHFFFAOYSA-N 1 0 279.300 -0.804 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnccc1C ZINC001125190551 813529490 /nfs/dbraw/zinc/52/94/90/813529490.db2.gz NGCNGGMXABGIHR-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001125256419 813540070 /nfs/dbraw/zinc/54/00/70/813540070.db2.gz WMJWLVDWGIPZAK-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001125248036 813540347 /nfs/dbraw/zinc/54/03/47/813540347.db2.gz NDSLISGHEOUHEP-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C1CC1 ZINC001125343203 813546202 /nfs/dbraw/zinc/54/62/02/813546202.db2.gz RLDXAHQNOYMFLB-QWRGUYRKSA-N 1 0 265.357 -0.124 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+]CCN2CCCC2=O)c1 ZINC001125369793 813547082 /nfs/dbraw/zinc/54/70/82/813547082.db2.gz ALFOTDJACVZCLL-UHFFFAOYSA-N 1 0 289.339 -0.172 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NCC[NH2+][C@@H]2CCNC2=O)c1 ZINC001125390748 813547524 /nfs/dbraw/zinc/54/75/24/813547524.db2.gz AMSMRYVVOKZXGU-SECBINFHSA-N 1 0 261.285 -0.906 20 30 CBEDRO CCN(C)C(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125391089 813547576 /nfs/dbraw/zinc/54/75/76/813547576.db2.gz RSPYQJYXDDKKCZ-UHFFFAOYSA-N 1 0 277.328 -0.316 20 30 CBEDRO CN1CCC[C@H]([NH2+]CCNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001125390801 813547713 /nfs/dbraw/zinc/54/77/13/813547713.db2.gz CQDHKWBYOQOVKI-NSHDSACASA-N 1 0 289.339 -0.173 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125370894 813548073 /nfs/dbraw/zinc/54/80/73/813548073.db2.gz YQIRMWADUWQNCS-JTQLQIEISA-N 1 0 289.339 -0.104 20 30 CBEDRO CN1CC[C@@H]([NH2+]CCNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001125370001 813548132 /nfs/dbraw/zinc/54/81/32/813548132.db2.gz FSNXJUIMNCNLNY-SNVBAGLBSA-N 1 0 275.312 -0.564 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCOC1 ZINC001125473182 813554351 /nfs/dbraw/zinc/55/43/51/813554351.db2.gz OFMMFYWIBRZAIL-LBPRGKRZSA-N 1 0 281.356 -0.742 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCCCO1 ZINC001125542788 813558337 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ZINC001125776412 813582247 /nfs/dbraw/zinc/58/22/47/813582247.db2.gz NQCNRELKNICRQM-JTQLQIEISA-N 1 0 275.312 -0.516 20 30 CBEDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(=O)N(C)C ZINC001125813843 813583046 /nfs/dbraw/zinc/58/30/46/813583046.db2.gz LQDMDCLITIQWTL-SECBINFHSA-N 1 0 277.328 -0.318 20 30 CBEDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001125813412 813583250 /nfs/dbraw/zinc/58/32/50/813583250.db2.gz ACJYDSWMCXWGRR-VIFPVBQESA-N 1 0 263.301 -0.530 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccc(C)o1 ZINC001125842861 813585079 /nfs/dbraw/zinc/58/50/79/813585079.db2.gz BEWIINZHFBFLIO-LBPRGKRZSA-N 1 0 291.351 -0.026 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CO[C@H](C)CC ZINC001125830998 813585937 /nfs/dbraw/zinc/58/59/37/813585937.db2.gz IUWIAGVXEKWFRX-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@](C)(O)C1CC1 ZINC001125883817 813587538 /nfs/dbraw/zinc/58/75/38/813587538.db2.gz FYGIVBHHVANSIF-ABAIWWIYSA-N 1 0 297.399 -0.066 20 30 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ZINC001128936313 813809168 /nfs/dbraw/zinc/80/91/68/813809168.db2.gz UKPZDLFKJFHMDV-SNVBAGLBSA-N 1 0 287.310 -0.123 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128967217 813810980 /nfs/dbraw/zinc/81/09/80/813810980.db2.gz GYVLPAVXOWREOI-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128991951 813814435 /nfs/dbraw/zinc/81/44/35/813814435.db2.gz JHNYOOJUJMYUHQ-LLVKDONJSA-N 1 0 293.371 -0.261 20 30 CBEDRO CC[C@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129094156 813818836 /nfs/dbraw/zinc/81/88/36/813818836.db2.gz ORNXPUMPKVWCLB-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO CC[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129094153 813819052 /nfs/dbraw/zinc/81/90/52/813819052.db2.gz ORNXPUMPKVWCLB-NEPJUHHUSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1CC ZINC001129088308 813819116 /nfs/dbraw/zinc/81/91/16/813819116.db2.gz XROPCMXTMZRJQG-OLZOCXBDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@@H](C)C(=O)NC)CCOCC1 ZINC001129116543 813819549 /nfs/dbraw/zinc/81/95/49/813819549.db2.gz ADLYYEFIJYTVGI-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001129208420 813824956 /nfs/dbraw/zinc/82/49/56/813824956.db2.gz RYSXHZDQMRWYQI-NSHDSACASA-N 1 0 258.325 -0.080 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001129230575 813826759 /nfs/dbraw/zinc/82/67/59/813826759.db2.gz OTEGYSMRCJGQDQ-KBPBESRZSA-N 1 0 298.383 -0.216 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255980 813827538 /nfs/dbraw/zinc/82/75/38/813827538.db2.gz MAPANKVZNIUDRJ-LLVKDONJSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1c(C)nnn1CC ZINC001129283886 813831438 /nfs/dbraw/zinc/83/14/38/813831438.db2.gz FYBSJDOIYKQBPN-UHFFFAOYSA-N 1 0 294.359 -0.772 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129351619 813836051 /nfs/dbraw/zinc/83/60/51/813836051.db2.gz LMZUZNQVTZEXCH-UHFFFAOYSA-N 1 0 261.329 -0.115 20 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1 0 257.334 -0.594 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cncs1 ZINC001129969997 813888728 /nfs/dbraw/zinc/88/87/28/813888728.db2.gz UFXMKLZDJIMKFK-UHFFFAOYSA-N 1 0 280.353 -0.859 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cncs1 ZINC001129982855 813891757 /nfs/dbraw/zinc/89/17/57/813891757.db2.gz SPUZCJMIRIPCPF-SNVBAGLBSA-N 1 0 294.380 -0.471 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cn[nH]c(=O)c1 ZINC001129993664 813893388 /nfs/dbraw/zinc/89/33/88/813893388.db2.gz AMESFNNDEAWAFL-VIFPVBQESA-N 1 0 293.327 -0.808 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C2CC2)CC1 ZINC001130019836 813896377 /nfs/dbraw/zinc/89/63/77/813896377.db2.gz HNZKDUQQESZVNJ-UHFFFAOYSA-N 1 0 263.341 -0.368 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC1(F)F ZINC001130096063 813907170 /nfs/dbraw/zinc/90/71/70/813907170.db2.gz XBQUKPMXZHMOSR-VHSXEESVSA-N 1 0 287.310 -0.125 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC1(F)F ZINC001130101506 813907623 /nfs/dbraw/zinc/90/76/23/813907623.db2.gz MFFCVHLUHBVWDI-MRVPVSSYSA-N 1 0 274.271 -0.623 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001130231918 813920849 /nfs/dbraw/zinc/92/08/49/813920849.db2.gz JFHZXTNMMQULLB-UHFFFAOYSA-N 1 0 272.370 -0.297 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001130266402 813922073 /nfs/dbraw/zinc/92/20/73/813922073.db2.gz WUCMMMOOMQWEJZ-UHFFFAOYSA-N 1 0 299.334 -0.368 20 30 CBEDRO Cc1cc(C)c(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001130310871 813927928 /nfs/dbraw/zinc/92/79/28/813927928.db2.gz FUSBOFQFYXTSOC-UHFFFAOYSA-N 1 0 277.328 -0.409 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](C)S(C)(=O)=O ZINC001130330294 813930503 /nfs/dbraw/zinc/93/05/03/813930503.db2.gz OIGOSLQBCXHMQF-JTQLQIEISA-N 1 0 278.374 -0.672 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130364133 813934781 /nfs/dbraw/zinc/93/47/81/813934781.db2.gz LDDJNYAJKDUGCN-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(N)=O)C1 ZINC001130418744 813939631 /nfs/dbraw/zinc/93/96/31/813939631.db2.gz WWCHCZUPQVPQAV-SECBINFHSA-N 1 0 277.328 -0.514 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cnc2ccc(OC)nn21 ZINC001130435264 813941408 /nfs/dbraw/zinc/94/14/08/813941408.db2.gz UWOKKSZFUWNQJH-UHFFFAOYSA-N 1 0 273.296 -0.310 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)COCC)C[C@H]1c1cn(C)cn1 ZINC001130486026 813944182 /nfs/dbraw/zinc/94/41/82/813944182.db2.gz XRLCOYUEKYDQKS-GXTWGEPZSA-N 1 0 290.367 -0.026 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130481251 813944232 /nfs/dbraw/zinc/94/42/32/813944232.db2.gz NSJKLPLHUOGPSZ-ZDUSSCGKSA-N 1 0 290.367 -0.199 20 30 CBEDRO CO[C@@H]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130496031 813945415 /nfs/dbraw/zinc/94/54/15/813945415.db2.gz LLBUOFWHPKVEFZ-GHMZBOCLSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]1OC ZINC001130499743 813945678 /nfs/dbraw/zinc/94/56/78/813945678.db2.gz JFBSHKODHBZAES-RYUDHWBXSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001130503785 813948234 /nfs/dbraw/zinc/94/82/34/813948234.db2.gz KQJWPWCOYKUGEC-GHMZBOCLSA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)[C@H](C)CC ZINC001130515021 813949238 /nfs/dbraw/zinc/94/92/38/813949238.db2.gz HJFDBEBOOLBZEA-YPMHNXCESA-N 1 0 283.372 -0.497 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553688 813952695 /nfs/dbraw/zinc/95/26/95/813952695.db2.gz LZJCKDOBTIDWPS-UHFFFAOYSA-N 1 0 282.388 -0.568 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553340 813952878 /nfs/dbraw/zinc/95/28/78/813952878.db2.gz FFSOGVRWXNOUFU-CYBMUJFWSA-N 1 0 296.415 -0.179 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)Cn1ncn(C)c1=O ZINC001130588607 813956096 /nfs/dbraw/zinc/95/60/96/813956096.db2.gz WZRVLWFLBUOIOX-UHFFFAOYSA-N 1 0 267.333 -0.746 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1COCCN1CC ZINC001130615620 813958085 /nfs/dbraw/zinc/95/80/85/813958085.db2.gz OPWXRODVICHCPP-LBPRGKRZSA-N 1 0 253.346 -0.564 20 30 CBEDRO Cc1cc(C)nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001130665918 813960382 /nfs/dbraw/zinc/96/03/82/813960382.db2.gz BDWZYWIAVAKCQD-UHFFFAOYSA-N 1 0 289.339 -0.342 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130676983 813962659 /nfs/dbraw/zinc/96/26/59/813962659.db2.gz JOKJBPWKKWVAHX-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130676527 813963509 /nfs/dbraw/zinc/96/35/09/813963509.db2.gz AMHOHNWKOWRRDJ-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130676526 813964069 /nfs/dbraw/zinc/96/40/69/813964069.db2.gz AMHOHNWKOWRRDJ-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]nc1CC ZINC001130725638 813970185 /nfs/dbraw/zinc/97/01/85/813970185.db2.gz JDVIOWKNYVKEQR-JTQLQIEISA-N 1 0 291.355 -0.571 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccc(=O)n(C)c1 ZINC001130764176 813980053 /nfs/dbraw/zinc/98/00/53/813980053.db2.gz RQSVRBCTPVGCRX-UHFFFAOYSA-N 1 0 279.340 -0.093 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1ccc(=O)n(CCOC)c1 ZINC001130771439 813980862 /nfs/dbraw/zinc/98/08/62/813980862.db2.gz VWBYKVJDZVEMGQ-UHFFFAOYSA-N 1 0 291.351 -0.163 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130805871 813983152 /nfs/dbraw/zinc/98/31/52/813983152.db2.gz QMTRXKDYQKUBLV-UHFFFAOYSA-N 1 0 285.325 -0.730 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001130819340 813983669 /nfs/dbraw/zinc/98/36/69/813983669.db2.gz QFLWXMCGMKNBAD-UHFFFAOYSA-N 1 0 258.281 -0.471 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cncc2[nH]ccc21 ZINC001130835365 813986040 /nfs/dbraw/zinc/98/60/40/813986040.db2.gz SHQUTJGYSMGGGG-UHFFFAOYSA-N 1 0 299.334 -0.368 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnnc1C ZINC001130876888 813990214 /nfs/dbraw/zinc/99/02/14/813990214.db2.gz DONSLWVCXCXHFP-LLVKDONJSA-N 1 0 289.339 -0.758 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCCCNC(N)=O ZINC001130958866 813995136 /nfs/dbraw/zinc/99/51/36/813995136.db2.gz WNQMGHBQPCGGJP-UHFFFAOYSA-N 1 0 286.376 -0.267 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001130997704 813997314 /nfs/dbraw/zinc/99/73/14/813997314.db2.gz DASYBDQZSCNKIN-SNVBAGLBSA-N 1 0 260.359 -0.297 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(Cl)cn1C ZINC001131070834 814002408 /nfs/dbraw/zinc/00/24/08/814002408.db2.gz JMKNLDQTRARYJH-UHFFFAOYSA-N 1 0 296.758 -0.253 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100677 814004168 /nfs/dbraw/zinc/00/41/68/814004168.db2.gz ZSSAAGUDZADSSJ-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(Cl)n(C)n1 ZINC001131114620 814006052 /nfs/dbraw/zinc/00/60/52/814006052.db2.gz ORZSMIPJCCDQLO-UHFFFAOYSA-N 1 0 299.762 -0.305 20 30 CBEDRO Cn1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1Cl ZINC001131114310 814006104 /nfs/dbraw/zinc/00/61/04/814006104.db2.gz BLVDEVSWHCTOBB-UHFFFAOYSA-N 1 0 298.734 -0.967 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131124920 814007245 /nfs/dbraw/zinc/00/72/45/814007245.db2.gz LOIMRGPHLRBBQP-UHFFFAOYSA-N 1 0 295.343 -0.950 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001131226544 814013622 /nfs/dbraw/zinc/01/36/22/814013622.db2.gz OWDKKACXXXRWLS-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1cc(C)nn1C ZINC001131285073 814016861 /nfs/dbraw/zinc/01/68/61/814016861.db2.gz YRIYVNVSZWRERQ-UHFFFAOYSA-N 1 0 278.356 -0.373 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2(COC)CC2)C1=O ZINC001131323710 814020990 /nfs/dbraw/zinc/02/09/90/814020990.db2.gz QIZUEFUAHYBFPX-GFCCVEGCSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1ccon1 ZINC001131342601 814022370 /nfs/dbraw/zinc/02/23/70/814022370.db2.gz CKWCZCUWBDDRMJ-NSHDSACASA-N 1 0 292.339 -0.549 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cc(=O)c(OC)co1 ZINC001131360778 814024724 /nfs/dbraw/zinc/02/47/24/814024724.db2.gz OKVPTCCGDCCUCF-UHFFFAOYSA-N 1 0 264.281 -0.009 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(OCC)no1 ZINC001131412803 814029562 /nfs/dbraw/zinc/02/95/62/814029562.db2.gz KLZXUWYDNFUMFU-UHFFFAOYSA-N 1 0 296.327 -0.305 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC1(C)CC1 ZINC001131475659 814036137 /nfs/dbraw/zinc/03/61/37/814036137.db2.gz UFRSTGCTZNOAGV-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131514769 814038515 /nfs/dbraw/zinc/03/85/15/814038515.db2.gz WLADKKMQMWGTKO-MOWSAHLDSA-N 1 0 293.367 -0.582 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001131565755 814044247 /nfs/dbraw/zinc/04/42/47/814044247.db2.gz FIEYNXQIKHVANE-OCCSQVGLSA-N 1 0 295.383 -0.191 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cc1cn(CC)nn1 ZINC001131621682 814048242 /nfs/dbraw/zinc/04/82/42/814048242.db2.gz ANPIVWAHZXMAKV-UHFFFAOYSA-N 1 0 281.360 -0.251 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001131633661 814048813 /nfs/dbraw/zinc/04/88/13/814048813.db2.gz BXYYGUNZFDGLNH-CHWSQXEVSA-N 1 0 290.367 -0.121 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001131639226 814050051 /nfs/dbraw/zinc/05/00/51/814050051.db2.gz CVDFVZCOTDFTPC-GFCCVEGCSA-N 1 0 275.356 -0.122 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(CCF)CC1 ZINC001131723008 814059395 /nfs/dbraw/zinc/05/93/95/814059395.db2.gz RGSYIJXTRZXFSI-UHFFFAOYSA-N 1 0 270.308 -0.528 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(CCF)CC1 ZINC001131725749 814060450 /nfs/dbraw/zinc/06/04/50/814060450.db2.gz MUZIYWKFSMJPSF-NSHDSACASA-N 1 0 283.347 -0.030 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC(F)F ZINC001131771399 814066236 /nfs/dbraw/zinc/06/62/36/814066236.db2.gz DADHNSBUTZNOAX-VIFPVBQESA-N 1 0 293.314 -0.335 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC(F)F ZINC001131772302 814066545 /nfs/dbraw/zinc/06/65/45/814066545.db2.gz VRQDBVHMBNQNAX-SECBINFHSA-N 1 0 291.298 -0.888 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H](CCC)S(N)(=O)=O ZINC001131777732 814067378 /nfs/dbraw/zinc/06/73/78/814067378.db2.gz SZFNYYSNHBFGRF-JTQLQIEISA-N 1 0 277.390 -0.275 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCCCc1c[nH]nn1 ZINC001131780037 814068360 /nfs/dbraw/zinc/06/83/60/814068360.db2.gz FQEJQYCDLAONAP-UHFFFAOYSA-N 1 0 293.371 -0.127 20 30 CBEDRO C#CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131791677 814068913 /nfs/dbraw/zinc/06/89/13/814068913.db2.gz CESRUNLDZXXZHL-UWVGGRQHSA-N 1 0 252.318 -0.743 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1COCCN1CCCC ZINC001131822110 814072126 /nfs/dbraw/zinc/07/21/26/814072126.db2.gz JKTHIHOFPXYAEM-CYBMUJFWSA-N 1 0 267.373 -0.174 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CNS(=O)(=O)NC ZINC001131832246 814073934 /nfs/dbraw/zinc/07/39/34/814073934.db2.gz ZVJQEOUURRIULP-SNVBAGLBSA-N 1 0 292.405 -0.899 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131844175 814076577 /nfs/dbraw/zinc/07/65/77/814076577.db2.gz CQGNKXXLWYGBJN-LBPRGKRZSA-N 1 0 281.356 -0.742 20 30 CBEDRO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]CC(N)=O ZINC001131867811 814077296 /nfs/dbraw/zinc/07/72/96/814077296.db2.gz WASSCKJWFXILDW-GFCCVEGCSA-N 1 0 257.334 -0.594 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131869871 814078120 /nfs/dbraw/zinc/07/81/20/814078120.db2.gz KXSNDFSMZUUALN-JTQLQIEISA-N 1 0 260.359 -0.155 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C[C@H]1CCCS1(=O)=O ZINC001131874414 814078613 /nfs/dbraw/zinc/07/86/13/814078613.db2.gz XMYXGVLTNXNIIT-LLVKDONJSA-N 1 0 272.370 -0.317 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001131884151 814080443 /nfs/dbraw/zinc/08/04/43/814080443.db2.gz HIBFHSPWYUJPGZ-VXGBXAGGSA-N 1 0 254.330 -0.233 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@]1(COC)CCOC1 ZINC001131898543 814081292 /nfs/dbraw/zinc/08/12/92/814081292.db2.gz LCKXPPUUROZPNZ-AWEZNQCLSA-N 1 0 299.371 -0.953 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131964566 814089303 /nfs/dbraw/zinc/08/93/03/814089303.db2.gz HKBKIYRQFCXUJU-QWRGUYRKSA-N 1 0 251.330 -0.146 20 30 CBEDRO C#CC[N@@H+]1C[C@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131972092 814089775 /nfs/dbraw/zinc/08/97/75/814089775.db2.gz PMWCOKNIINTEHP-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](OC)C1CCC1 ZINC001131963572 814090577 /nfs/dbraw/zinc/09/05/77/814090577.db2.gz LWQMOJRKQOTNND-WCQYABFASA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(C)C)on1 ZINC001131986274 814093267 /nfs/dbraw/zinc/09/32/67/814093267.db2.gz KVDCAHQLLCNNSM-UHFFFAOYSA-N 1 0 292.339 -0.133 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1csnn1 ZINC001131983266 814093551 /nfs/dbraw/zinc/09/35/51/814093551.db2.gz ZMXDYFRGLMUFEK-MRVPVSSYSA-N 1 0 283.357 -0.452 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001132109766 814102282 /nfs/dbraw/zinc/10/22/82/814102282.db2.gz PCKUXGZYENKMNA-UHFFFAOYSA-N 1 0 288.315 -0.963 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)CC[C@H]1C ZINC001132085842 814103154 /nfs/dbraw/zinc/10/31/54/814103154.db2.gz AFHWHAVWGKRKBP-MNOVXSKESA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1C ZINC001132147158 814106868 /nfs/dbraw/zinc/10/68/68/814106868.db2.gz VKZQQCXJBIOQKO-SNVBAGLBSA-N 1 0 277.328 -0.825 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1nc2ccccn2c1=O ZINC001132141667 814106966 /nfs/dbraw/zinc/10/69/66/814106966.db2.gz PTPJEMWLKZNVBU-UHFFFAOYSA-N 1 0 287.323 -0.775 20 30 CBEDRO CCCc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001132172365 814108228 /nfs/dbraw/zinc/10/82/28/814108228.db2.gz ICJSBZOMGAZCCF-UHFFFAOYSA-N 1 0 292.343 -0.679 20 30 CBEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132252486 814117196 /nfs/dbraw/zinc/11/71/96/814117196.db2.gz GBQCGDBMOPLWNT-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO CCC[C@H](OC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132289827 814122362 /nfs/dbraw/zinc/12/23/62/814122362.db2.gz CRWKQDFRLHKGGP-JTQLQIEISA-N 1 0 270.333 -0.853 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367484 814138490 /nfs/dbraw/zinc/13/84/90/814138490.db2.gz VXLFXABNBRXAHS-UHFFFAOYSA-N 1 0 268.317 -0.352 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001132391849 814145878 /nfs/dbraw/zinc/14/58/78/814145878.db2.gz PWXAAACXCCMRIF-LBPRGKRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCCCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132398815 814146272 /nfs/dbraw/zinc/14/62/72/814146272.db2.gz PWRGXSSQLUJEJE-UHFFFAOYSA-N 1 0 296.371 -0.269 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1C ZINC001132423456 814149069 /nfs/dbraw/zinc/14/90/69/814149069.db2.gz AGUVEPYCKFBUIS-OUAUKWLOSA-N 1 0 296.371 -0.252 20 30 CBEDRO C#CC[N@H+]1C[C@H](NC(=O)CCNC(N)=O)CC[C@@H]1C ZINC001132473850 814152352 /nfs/dbraw/zinc/15/23/52/814152352.db2.gz SRSXEXSTQAIMFZ-WDEREUQCSA-N 1 0 266.345 -0.353 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519787 814157557 /nfs/dbraw/zinc/15/75/57/814157557.db2.gz MBAWGXBLJRLZRT-QWRGUYRKSA-N 1 0 296.371 -0.996 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132528132 814161324 /nfs/dbraw/zinc/16/13/24/814161324.db2.gz FBXWMMWPIDZSJR-NSHDSACASA-N 1 0 269.345 -0.484 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132560755 814163846 /nfs/dbraw/zinc/16/38/46/814163846.db2.gz APRGSLZNCWHRKQ-WDEREUQCSA-N 1 0 271.336 -0.176 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC)CC[C@@H]1C ZINC001132566808 814163998 /nfs/dbraw/zinc/16/39/98/814163998.db2.gz RTKSVRBBEZXNDW-QWHCGFSZSA-N 1 0 295.383 -0.544 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(C)=O)CC[C@H]1C ZINC001132570752 814164320 /nfs/dbraw/zinc/16/43/20/814164320.db2.gz BNBNEZNTAVLHFF-DGCLKSJQSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H](C)C=C ZINC001132569214 814164364 /nfs/dbraw/zinc/16/43/64/814164364.db2.gz MUOGNWQRATWNEK-NWDGAFQWSA-N 1 0 265.357 -0.100 20 30 CBEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132568949 814164700 /nfs/dbraw/zinc/16/47/00/814164700.db2.gz IHXLOVLLLSAPHF-GHMZBOCLSA-N 1 0 266.345 -0.210 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COC)CC[C@H]1C ZINC001132566807 814164849 /nfs/dbraw/zinc/16/48/49/814164849.db2.gz RTKSVRBBEZXNDW-OLZOCXBDSA-N 1 0 295.383 -0.544 20 30 CBEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132577752 814166031 /nfs/dbraw/zinc/16/60/31/814166031.db2.gz ZZRHQKGMASZFNC-WDEREUQCSA-N 1 0 291.417 -0.300 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCCC1CC1 ZINC001132599772 814167569 /nfs/dbraw/zinc/16/75/69/814167569.db2.gz DXDGVYLMIRPOPU-UHFFFAOYSA-N 1 0 266.345 -0.088 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132617500 814172808 /nfs/dbraw/zinc/17/28/08/814172808.db2.gz LCMBRNUQKYNBLU-RYUDHWBXSA-N 1 0 276.344 -0.620 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132617846 814172997 /nfs/dbraw/zinc/17/29/97/814172997.db2.gz NYWPKGLQRZNJBV-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO CCC[C@@H](OCC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132624655 814173140 /nfs/dbraw/zinc/17/31/40/814173140.db2.gz QWOMILSLARJFLY-LLVKDONJSA-N 1 0 284.360 -0.463 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132653890 814175832 /nfs/dbraw/zinc/17/58/32/814175832.db2.gz UEOMAACTAAZAIL-JTQLQIEISA-N 1 0 284.360 -0.250 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132653524 814176672 /nfs/dbraw/zinc/17/66/72/814176672.db2.gz NUXQXJVVMWLEPU-SECBINFHSA-N 1 0 270.333 -0.511 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132709165 814179919 /nfs/dbraw/zinc/17/99/19/814179919.db2.gz JWWNDVOBQKVEJF-NEPJUHHUSA-N 1 0 283.372 -0.252 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C ZINC001132717668 814181370 /nfs/dbraw/zinc/18/13/70/814181370.db2.gz OHBXTFHNJRRTQB-RYUDHWBXSA-N 1 0 265.357 -0.041 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132828026 814192435 /nfs/dbraw/zinc/19/24/35/814192435.db2.gz MCTLGRJRNGSTNH-QWHCGFSZSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1C ZINC001132849992 814193954 /nfs/dbraw/zinc/19/39/54/814193954.db2.gz BNDUVLOXKZCPFU-VXGBXAGGSA-N 1 0 298.408 -0.262 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@]2(F)CCOC2)C1=O ZINC001132852027 814194459 /nfs/dbraw/zinc/19/44/59/814194459.db2.gz FYHAORCRYVWOJB-SMDDNHRTSA-N 1 0 299.346 -0.392 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(=O)NC)CC[C@@H]1C ZINC001132860426 814196062 /nfs/dbraw/zinc/19/60/62/814196062.db2.gz UGBFUHMYLDMBNL-NWDGAFQWSA-N 1 0 280.372 -0.377 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CCOC1 ZINC001132867568 814196912 /nfs/dbraw/zinc/19/69/12/814196912.db2.gz JCIPPIGQMPJFTC-GWCFXTLKSA-N 1 0 287.335 -0.489 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ncccc1F ZINC001132900755 814198982 /nfs/dbraw/zinc/19/89/82/814198982.db2.gz JBZCOIASGXRDRK-UHFFFAOYSA-N 1 0 293.302 -0.891 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132923761 814201674 /nfs/dbraw/zinc/20/16/74/814201674.db2.gz QGFZUYNOIGFSDB-LLVKDONJSA-N 1 0 275.356 -0.351 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964588 814203960 /nfs/dbraw/zinc/20/39/60/814203960.db2.gz VXOVWEBNVYALAZ-UHFFFAOYSA-N 1 0 250.302 -0.472 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001133000484 814206471 /nfs/dbraw/zinc/20/64/71/814206471.db2.gz AMPAGWHWJDTCLN-NSHDSACASA-N 1 0 291.355 -0.420 20 30 CBEDRO N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111519 814215898 /nfs/dbraw/zinc/21/58/98/814215898.db2.gz FPNDXYVWMWODAT-GFCCVEGCSA-N 1 0 287.323 -0.555 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1conc1C ZINC001133231216 814231239 /nfs/dbraw/zinc/23/12/39/814231239.db2.gz AQFWUVXUPQKXHR-UHFFFAOYSA-N 1 0 251.286 -0.048 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1C ZINC001133297027 814239521 /nfs/dbraw/zinc/23/95/21/814239521.db2.gz HYWYMWYQSRFZHN-QWHCGFSZSA-N 1 0 275.356 -0.015 20 30 CBEDRO C[C@@H]1C[C@@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133339441 814244821 /nfs/dbraw/zinc/24/48/21/814244821.db2.gz XUHVXTKWONDMCX-NXEZZACHSA-N 1 0 252.318 -0.622 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001133379012 814248620 /nfs/dbraw/zinc/24/86/20/814248620.db2.gz QVQQXNXIKSALRQ-CYBMUJFWSA-N 1 0 284.360 -0.250 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2n[nH]cc2F)C1=O ZINC001133467295 814257165 /nfs/dbraw/zinc/25/71/65/814257165.db2.gz CTHIOCFUJJQWDI-JTQLQIEISA-N 1 0 295.318 -0.345 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133479364 814260619 /nfs/dbraw/zinc/26/06/19/814260619.db2.gz UUBKXTTYAWUUFV-UHFFFAOYSA-N 1 0 269.280 -0.830 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCOC ZINC001133488442 814261104 /nfs/dbraw/zinc/26/11/04/814261104.db2.gz WQNQUNCFPDHNHV-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCOC ZINC001133488440 814261220 /nfs/dbraw/zinc/26/12/20/814261220.db2.gz WQNQUNCFPDHNHV-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC001133492444 814262263 /nfs/dbraw/zinc/26/22/63/814262263.db2.gz OHOOYRIODZRPNL-NWDGAFQWSA-N 1 0 283.372 -0.333 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC[C@@H]1C ZINC001133492446 814263547 /nfs/dbraw/zinc/26/35/47/814263547.db2.gz OHOOYRIODZRPNL-RYUDHWBXSA-N 1 0 283.372 -0.333 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](COC)OC)C1=O ZINC001133517384 814268046 /nfs/dbraw/zinc/26/80/46/814268046.db2.gz NATNBCBASHHJGH-RYUDHWBXSA-N 1 0 299.371 -0.860 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCCO1 ZINC001133528753 814271380 /nfs/dbraw/zinc/27/13/80/814271380.db2.gz LTMOLVRMPDRLNF-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001133570038 814272809 /nfs/dbraw/zinc/27/28/09/814272809.db2.gz JVCFIFFGVUGBCF-UHFFFAOYSA-N 1 0 282.344 -0.496 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001133566264 814274019 /nfs/dbraw/zinc/27/40/19/814274019.db2.gz YNILZNXDLBCJAJ-UHFFFAOYSA-N 1 0 289.401 -0.402 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001133570312 814274049 /nfs/dbraw/zinc/27/40/49/814274049.db2.gz UYCMSNBZQKNABT-UHFFFAOYSA-N 1 0 296.371 -0.106 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)c1 ZINC001133597205 814276641 /nfs/dbraw/zinc/27/66/41/814276641.db2.gz IPYQUALAVCYDKD-ZDUSSCGKSA-N 1 0 286.335 -0.387 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)c1 ZINC001133597204 814276929 /nfs/dbraw/zinc/27/69/29/814276929.db2.gz IPYQUALAVCYDKD-CYBMUJFWSA-N 1 0 286.335 -0.387 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619945 814279167 /nfs/dbraw/zinc/27/91/67/814279167.db2.gz ORNWTLVJCSJSSL-WDEREUQCSA-N 1 0 286.376 -0.270 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CSC ZINC001133645594 814281947 /nfs/dbraw/zinc/28/19/47/814281947.db2.gz RCCIKOFQLGIQPE-MNOVXSKESA-N 1 0 285.413 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(F)F)n[nH]1 ZINC001133654735 814284485 /nfs/dbraw/zinc/28/44/85/814284485.db2.gz QAXMIVHOOZQZCI-UHFFFAOYSA-N 1 0 299.281 -0.584 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681399 814288473 /nfs/dbraw/zinc/28/84/73/814288473.db2.gz OOKZESHHXMUCLU-GFCCVEGCSA-N 1 0 281.356 -0.599 20 30 CBEDRO C#CC[NH2+]CCNC(=O)Cc1cn(C)nc1Cl ZINC001133791668 814296000 /nfs/dbraw/zinc/29/60/00/814296000.db2.gz XYWYOWRSBQNSIR-UHFFFAOYSA-N 1 0 254.721 -0.045 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133787507 814297042 /nfs/dbraw/zinc/29/70/42/814297042.db2.gz NEELVPQMIWBLJN-NEPJUHHUSA-N 1 0 281.356 -0.649 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133781706 814297171 /nfs/dbraw/zinc/29/71/71/814297171.db2.gz MXTMSWVUDXBNPG-VHSXEESVSA-N 1 0 255.318 -0.699 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1ccn[nH]1)[NH2+]CC(=O)NCC#N ZINC001133806863 814297973 /nfs/dbraw/zinc/29/79/73/814297973.db2.gz CAKYGUAMDPCYBP-ZJUUUORDSA-N 1 0 292.343 -0.464 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccn[nH]1 ZINC001133806860 814298172 /nfs/dbraw/zinc/29/81/72/814298172.db2.gz CAKYGUAMDPCYBP-NXEZZACHSA-N 1 0 292.343 -0.464 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1C1CC1 ZINC001133810386 814299201 /nfs/dbraw/zinc/29/92/01/814299201.db2.gz PQGFNRLWKLWKMO-UHFFFAOYSA-N 1 0 291.311 -0.489 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001133908998 814321792 /nfs/dbraw/zinc/32/17/92/814321792.db2.gz FVGGEKQGTOBEBD-GHMZBOCLSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001133910327 814323699 /nfs/dbraw/zinc/32/36/99/814323699.db2.gz YUMGKAGEILJASU-UWVGGRQHSA-N 1 0 257.334 -0.453 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC=C ZINC001133910083 814324422 /nfs/dbraw/zinc/32/44/22/814324422.db2.gz VOBPMYYRLYNCPK-OLZOCXBDSA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC=C ZINC001133910085 814324576 /nfs/dbraw/zinc/32/45/76/814324576.db2.gz VOBPMYYRLYNCPK-STQMWFEESA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133935891 814327279 /nfs/dbraw/zinc/32/72/79/814327279.db2.gz JXOJUJFOZMNMEO-MNOVXSKESA-N 1 0 251.330 -0.383 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C(N)=O)s1 ZINC001133944006 814328216 /nfs/dbraw/zinc/32/82/16/814328216.db2.gz YWNRDFQPRGNTQH-MNOVXSKESA-N 1 0 292.364 -0.053 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134025612 814341810 /nfs/dbraw/zinc/34/18/10/814341810.db2.gz BTZWVMATYDIOQU-WDEREUQCSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2OCC[C@H]2C)C1=O ZINC001134029068 814345306 /nfs/dbraw/zinc/34/53/06/814345306.db2.gz UGGWBOJILLZMRM-AGIUHOORSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001134053266 814345921 /nfs/dbraw/zinc/34/59/21/814345921.db2.gz PVWXFGKNAOAPBE-TUAOUCFPSA-N 1 0 283.372 -0.240 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001134053382 814347465 /nfs/dbraw/zinc/34/74/65/814347465.db2.gz UQAGTBMNUGZAJK-OLZOCXBDSA-N 1 0 295.383 -0.191 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001134062242 814348887 /nfs/dbraw/zinc/34/88/87/814348887.db2.gz UGSAIQLEZROORC-RTXFEEFZSA-N 1 0 295.383 -0.050 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134096548 814350832 /nfs/dbraw/zinc/35/08/32/814350832.db2.gz WHESVOYYGSFSPV-IJLUTSLNSA-N 1 0 281.356 -0.602 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117073 814354691 /nfs/dbraw/zinc/35/46/91/814354691.db2.gz CWPKMHNCDBAYQI-LOWDOPEQSA-N 1 0 293.367 -0.602 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134135721 814355413 /nfs/dbraw/zinc/35/54/13/814355413.db2.gz KURGJYGUWKTIFM-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001134139101 814355446 /nfs/dbraw/zinc/35/54/46/814355446.db2.gz NEZRZCASJNMCTH-IUCAKERBSA-N 1 0 277.328 -0.142 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCO ZINC001134131224 814355824 /nfs/dbraw/zinc/35/58/24/814355824.db2.gz SHWONESXGAOOPW-RYUDHWBXSA-N 1 0 283.372 -0.619 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134178576 814361681 /nfs/dbraw/zinc/36/16/81/814361681.db2.gz NKRHBKXAJXQFTF-JQWIXIFHSA-N 1 0 298.387 -0.702 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001134271797 814368191 /nfs/dbraw/zinc/36/81/91/814368191.db2.gz XKGWPRXBDHMRRN-VXGBXAGGSA-N 1 0 293.371 -0.049 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnnn1C ZINC001134288243 814370306 /nfs/dbraw/zinc/37/03/06/814370306.db2.gz HCWAAVVZOPOGTP-NEPJUHHUSA-N 1 0 293.371 -0.049 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001134294511 814371065 /nfs/dbraw/zinc/37/10/65/814371065.db2.gz SFFOMBXCBPGBMM-WDEREUQCSA-N 1 0 291.355 -0.354 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1ncc[nH]1)[NH2+]CC(=O)NCC#N ZINC001134294265 814372416 /nfs/dbraw/zinc/37/24/16/814372416.db2.gz QBONMVHOINTGOP-ZJUUUORDSA-N 1 0 292.343 -0.464 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352577 814375516 /nfs/dbraw/zinc/37/55/16/814375516.db2.gz RIVWDKKPXGIYMZ-QWRGUYRKSA-N 1 0 291.417 -0.015 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001134326319 814375630 /nfs/dbraw/zinc/37/56/30/814375630.db2.gz PCDMTHXROQVJRD-WDEREUQCSA-N 1 0 290.371 -0.004 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO ZINC001134357383 814376318 /nfs/dbraw/zinc/37/63/18/814376318.db2.gz WMLCGVLDYANRRC-VXGBXAGGSA-N 1 0 256.346 -0.109 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353812 814377095 /nfs/dbraw/zinc/37/70/95/814377095.db2.gz XDJFLROJKDOISL-VIFPVBQESA-N 1 0 263.363 -0.794 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134385098 814377886 /nfs/dbraw/zinc/37/78/86/814377886.db2.gz XRFGAEDTYGCSFQ-RYUDHWBXSA-N 1 0 296.375 -0.251 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134383701 814378057 /nfs/dbraw/zinc/37/80/57/814378057.db2.gz GWGGTNNPYQRTGE-MNOVXSKESA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)[nH]c1C ZINC001134423334 814383407 /nfs/dbraw/zinc/38/34/07/814383407.db2.gz DWWRZBRWEJEQPB-UHFFFAOYSA-N 1 0 276.340 -0.300 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461079 814386123 /nfs/dbraw/zinc/38/61/23/814386123.db2.gz NNJPQIQOJCSKHN-ZETCQYMHSA-N 1 0 274.708 -0.957 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CNS(=O)(=O)N(C)C ZINC001134490932 814388612 /nfs/dbraw/zinc/38/86/12/814388612.db2.gz IULUBJWKRWUCGS-UHFFFAOYSA-N 1 0 292.405 -0.946 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499680 814388636 /nfs/dbraw/zinc/38/86/36/814388636.db2.gz HDJYXAWKIHNEMN-WDEREUQCSA-N 1 0 289.401 -0.568 20 30 CBEDRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)n1ccnc1 ZINC001134494554 814388711 /nfs/dbraw/zinc/38/87/11/814388711.db2.gz AWWXFOQTPKGFHH-NSHDSACASA-N 1 0 292.343 -0.820 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001134498755 814388812 /nfs/dbraw/zinc/38/88/12/814388812.db2.gz OEUXNGUXCMWINU-GFCCVEGCSA-N 1 0 291.355 -0.711 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509408 814389987 /nfs/dbraw/zinc/38/99/87/814389987.db2.gz RUXKRXWTMYLZOL-MNOVXSKESA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509525 814390693 /nfs/dbraw/zinc/39/06/93/814390693.db2.gz UKBVZWZCEOTCON-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO CNC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134524843 814394112 /nfs/dbraw/zinc/39/41/12/814394112.db2.gz RSRQNNVFQGJZEQ-RYUDHWBXSA-N 1 0 298.387 -0.562 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1nccc1C ZINC001134523249 814394146 /nfs/dbraw/zinc/39/41/46/814394146.db2.gz DCHFGZNCJTWUPY-LBPRGKRZSA-N 1 0 291.355 -0.965 20 30 CBEDRO COCC#CCN1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001190626789 823829695 /nfs/dbraw/zinc/82/96/95/823829695.db2.gz JTLIPNMZQZSSNI-CHWSQXEVSA-N 1 0 266.341 -0.402 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001134618907 814399870 /nfs/dbraw/zinc/39/98/70/814399870.db2.gz QGZIOJZUMYMMOD-CHWSQXEVSA-N 1 0 295.383 -0.366 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655737 814404574 /nfs/dbraw/zinc/40/45/74/814404574.db2.gz MFDNHDVPIGDLPV-LBPRGKRZSA-N 1 0 254.330 -0.231 20 30 CBEDRO C[C@H]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001134738273 814409968 /nfs/dbraw/zinc/40/99/68/814409968.db2.gz LEMPUGDHSCUALN-QWRGUYRKSA-N 1 0 266.345 -0.232 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C1(NC(N)=O)CCCCC1 ZINC001134734735 814410126 /nfs/dbraw/zinc/41/01/26/814410126.db2.gz INRJRDBOERNYLN-UHFFFAOYSA-N 1 0 266.345 -0.303 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134769316 814411794 /nfs/dbraw/zinc/41/17/94/814411794.db2.gz KGALHDLVWJTXSR-NSHDSACASA-N 1 0 291.355 -0.640 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)CNC(C)=O ZINC001134770898 814411855 /nfs/dbraw/zinc/41/18/55/814411855.db2.gz UQZOFVRYWSJJKJ-GHMZBOCLSA-N 1 0 298.387 -0.702 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787655 814412828 /nfs/dbraw/zinc/41/28/28/814412828.db2.gz NQGJKDMLVWPDOO-WDEREUQCSA-N 1 0 281.360 -0.359 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cncc(OC)n1 ZINC001134836157 814416327 /nfs/dbraw/zinc/41/63/27/814416327.db2.gz DCDGHWUOZKSDDM-UHFFFAOYSA-N 1 0 278.312 -0.546 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134836799 814416485 /nfs/dbraw/zinc/41/64/85/814416485.db2.gz OTJNLLLRUGCKHE-NSHDSACASA-N 1 0 284.360 -0.962 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2cccnn21 ZINC001134930942 814423336 /nfs/dbraw/zinc/42/33/36/814423336.db2.gz ZAXFCGGDFHRTMJ-UHFFFAOYSA-N 1 0 299.334 -0.597 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134963471 814427756 /nfs/dbraw/zinc/42/77/56/814427756.db2.gz LBEXCXTXYZAPBY-UHFFFAOYSA-N 1 0 277.390 -0.404 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2cnn(C)c2)nn1 ZINC001134980234 814430076 /nfs/dbraw/zinc/43/00/76/814430076.db2.gz AFTMXOXUVLPXAD-UHFFFAOYSA-N 1 0 289.343 -0.283 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135053184 814433368 /nfs/dbraw/zinc/43/33/68/814433368.db2.gz XURCJFVBBHKRJK-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC)nn1 ZINC001135075280 814434970 /nfs/dbraw/zinc/43/49/70/814434970.db2.gz DJMQWNILJDZNLH-JTQLQIEISA-N 1 0 294.359 -0.692 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001135071395 814435254 /nfs/dbraw/zinc/43/52/54/814435254.db2.gz FOQPWQNZERUGEO-NSHDSACASA-N 1 0 293.371 -0.404 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001135093656 814437726 /nfs/dbraw/zinc/43/77/26/814437726.db2.gz XDTHLXIIDUIPCV-NWDGAFQWSA-N 1 0 293.371 -0.522 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001135138363 814438958 /nfs/dbraw/zinc/43/89/58/814438958.db2.gz AVVYMWOWNIZHBB-CHWSQXEVSA-N 1 0 276.340 -0.373 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135129950 814439775 /nfs/dbraw/zinc/43/97/75/814439775.db2.gz SUIWDJCUEDLWCI-NSHDSACASA-N 1 0 289.401 -0.308 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001135155336 814440664 /nfs/dbraw/zinc/44/06/64/814440664.db2.gz OBACOAHPRSATLK-GFCCVEGCSA-N 1 0 272.370 -0.317 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135147908 814440868 /nfs/dbraw/zinc/44/08/68/814440868.db2.gz SRTBSWAFXLQPJS-JSGCOSHPSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001135142411 814441732 /nfs/dbraw/zinc/44/17/32/814441732.db2.gz TVKAPWMNXBIUBS-STQMWFEESA-N 1 0 286.372 -0.318 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001135142465 814441985 /nfs/dbraw/zinc/44/19/85/814441985.db2.gz VWNSCFIGCCELCU-JSGCOSHPSA-N 1 0 293.367 -0.577 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135174073 814442946 /nfs/dbraw/zinc/44/29/46/814442946.db2.gz ADYVBAJMPYZJDC-STQMWFEESA-N 1 0 296.415 -0.133 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1ccco1 ZINC001135182531 814443243 /nfs/dbraw/zinc/44/32/43/814443243.db2.gz CEQDCLBFDFDXOQ-GFCCVEGCSA-N 1 0 291.351 -0.087 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135175037 814443429 /nfs/dbraw/zinc/44/34/29/814443429.db2.gz GUXOOMZRJACHCN-STQMWFEESA-N 1 0 294.399 -0.686 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135174070 814443589 /nfs/dbraw/zinc/44/35/89/814443589.db2.gz ADYVBAJMPYZJDC-CHWSQXEVSA-N 1 0 296.415 -0.133 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135213912 814446079 /nfs/dbraw/zinc/44/60/79/814446079.db2.gz DBAADZIBTCLWTC-QWRGUYRKSA-N 1 0 296.375 -0.101 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135215107 814446787 /nfs/dbraw/zinc/44/67/87/814446787.db2.gz VXAHKNDTDMDZSD-UWVGGRQHSA-N 1 0 264.333 -0.280 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CCCS(C)(=O)=O ZINC001135209697 814447058 /nfs/dbraw/zinc/44/70/58/814447058.db2.gz WCGFGSYOXVLAFY-UHFFFAOYSA-N 1 0 260.359 -0.460 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135242023 814449773 /nfs/dbraw/zinc/44/97/73/814449773.db2.gz SFWZZQBYACXYNA-UHFFFAOYSA-N 1 0 273.296 -0.222 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135329893 814461926 /nfs/dbraw/zinc/46/19/26/814461926.db2.gz IOTTYFDPZOWMSG-VXGBXAGGSA-N 1 0 295.383 -0.225 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135329890 814462645 /nfs/dbraw/zinc/46/26/45/814462645.db2.gz IOTTYFDPZOWMSG-NEPJUHHUSA-N 1 0 295.383 -0.225 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381011 814471737 /nfs/dbraw/zinc/47/17/37/814471737.db2.gz JSRHMZUFRQVTGI-JTQLQIEISA-N 1 0 298.387 -0.702 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1ccc(=O)n(CC)n1 ZINC001135479508 814477917 /nfs/dbraw/zinc/47/79/17/814477917.db2.gz AFDZAQZACKSNIH-UHFFFAOYSA-N 1 0 250.302 -0.231 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1nc2ncccn2n1 ZINC001135554421 814490580 /nfs/dbraw/zinc/49/05/80/814490580.db2.gz QPLSSAIBWLCDIG-UHFFFAOYSA-N 1 0 288.311 -0.907 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(C)c1 ZINC001135559681 814491811 /nfs/dbraw/zinc/49/18/11/814491811.db2.gz WAOFCYVMKCBYPN-UHFFFAOYSA-N 1 0 274.324 -0.541 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnon1 ZINC001135582606 814496397 /nfs/dbraw/zinc/49/63/97/814496397.db2.gz NKHTXBZUILLYFQ-QMMMGPOBSA-N 1 0 267.289 -0.920 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001160178140 815612335 /nfs/dbraw/zinc/61/23/35/815612335.db2.gz BIWBGGPXJMATJD-QMMMGPOBSA-N 1 0 288.735 -0.567 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2[nH]cnc21 ZINC001135626180 814501768 /nfs/dbraw/zinc/50/17/68/814501768.db2.gz JVYSOUHHECKKQH-UHFFFAOYSA-N 1 0 299.334 -0.368 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC001135636688 814501883 /nfs/dbraw/zinc/50/18/83/814501883.db2.gz YPDOENKZTRCLCI-WDEREUQCSA-N 1 0 253.346 -0.029 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160250346 815613858 /nfs/dbraw/zinc/61/38/58/815613858.db2.gz YTFDKIPEGAEMJO-UHFFFAOYSA-N 1 0 250.302 -0.324 20 30 CBEDRO CC[C@]1(C(=O)NCCC[NH2+]CC#CCOC)CCNC1=O ZINC001160279980 815613992 /nfs/dbraw/zinc/61/39/92/815613992.db2.gz AFKVNUOHCMLLNA-OAHLLOKOSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001135644633 814503716 /nfs/dbraw/zinc/50/37/16/814503716.db2.gz MNVLYWGGGUDLAC-VHSXEESVSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC)c1C ZINC001135646662 814503736 /nfs/dbraw/zinc/50/37/36/814503736.db2.gz RKHFOZMJXSPQLJ-UHFFFAOYSA-N 1 0 293.371 -0.167 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(OC)o1 ZINC001135663954 814506748 /nfs/dbraw/zinc/50/67/48/814506748.db2.gz VIUNFNOBGWDKEL-UHFFFAOYSA-N 1 0 279.296 -0.643 20 30 CBEDRO Cc1nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C)o1 ZINC001135669376 814506902 /nfs/dbraw/zinc/50/69/02/814506902.db2.gz MONBXGHJNJMBAZ-UHFFFAOYSA-N 1 0 279.300 -0.749 20 30 CBEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135699487 814511407 /nfs/dbraw/zinc/51/14/07/814511407.db2.gz RXXJUCDUTMJDRD-GHMZBOCLSA-N 1 0 296.371 -0.013 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnon1 ZINC001135725513 814514952 /nfs/dbraw/zinc/51/49/52/814514952.db2.gz PDSAFLLTWUUFCZ-RKDXNWHRSA-N 1 0 294.315 -0.804 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cnon1 ZINC001135725511 814514975 /nfs/dbraw/zinc/51/49/75/814514975.db2.gz PDSAFLLTWUUFCZ-DTWKUNHWSA-N 1 0 294.315 -0.804 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnon1 ZINC001135726622 814515652 /nfs/dbraw/zinc/51/56/52/814515652.db2.gz XWCLISSWEUNDNB-NXEZZACHSA-N 1 0 295.343 -0.142 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)COCc1ccncc1 ZINC001135752316 814519144 /nfs/dbraw/zinc/51/91/44/814519144.db2.gz GAVUBQLIXCCSSE-UHFFFAOYSA-N 1 0 291.351 -0.046 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135765994 814521619 /nfs/dbraw/zinc/52/16/19/814521619.db2.gz DVDZKJUPKAFOPZ-JTQLQIEISA-N 1 0 279.344 -0.651 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135768645 814522033 /nfs/dbraw/zinc/52/20/33/814522033.db2.gz RBIXHEKCKWAWQD-NEPJUHHUSA-N 1 0 278.360 -0.041 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@]2(C)CCOC2)C1=O ZINC001135795732 814526594 /nfs/dbraw/zinc/52/65/94/814526594.db2.gz FCWGCQGIMOKGBV-WFASDCNBSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCCOC1 ZINC001135951434 814539253 /nfs/dbraw/zinc/53/92/53/814539253.db2.gz COCHYKLKFHKOGH-AWEZNQCLSA-N 1 0 283.372 -0.189 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@]1(C)CCCOC1 ZINC001135956864 814541422 /nfs/dbraw/zinc/54/14/22/814541422.db2.gz WFTCCWLDTGYHIG-DOMZBBRYSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136001304 814545044 /nfs/dbraw/zinc/54/50/44/814545044.db2.gz PSXBXYMRDJNFAL-LBPRGKRZSA-N 1 0 291.355 -0.343 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001136012799 814546185 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CBEDRO C=C(C[NH+](C)C)C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001136654215 814566249 /nfs/dbraw/zinc/56/62/49/814566249.db2.gz ZGDANLMZMQSHSS-JTQLQIEISA-N 1 0 252.318 -0.268 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001136689963 814570087 /nfs/dbraw/zinc/57/00/87/814570087.db2.gz XJLXQQVYLRMCAD-QWHCGFSZSA-N 1 0 267.373 -0.223 20 30 CBEDRO N#Cc1c(Cl)ncnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159670183 815583555 /nfs/dbraw/zinc/58/35/55/815583555.db2.gz CTDRZENPBDWFIT-SVRRBLITSA-N 1 0 253.693 -0.006 20 30 CBEDRO C#CCC1(C(=O)NCCC[NH2+][C@H](C)C(N)=O)CCOCC1 ZINC001159644107 815583618 /nfs/dbraw/zinc/58/36/18/815583618.db2.gz HHNAJKZMUJVPCS-GFCCVEGCSA-N 1 0 295.383 -0.224 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCNC1=O ZINC001160432892 815621323 /nfs/dbraw/zinc/62/13/23/815621323.db2.gz DIZVCZFIISTLGC-GFCCVEGCSA-N 1 0 281.356 -0.742 20 30 CBEDRO N#Cc1ncc(Cl)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159672603 815585010 /nfs/dbraw/zinc/58/50/10/815585010.db2.gz QPYKKMQCLHNCPG-HTRCEHHLSA-N 1 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C#CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001147368790 814890372 /nfs/dbraw/zinc/89/03/72/814890372.db2.gz MEVIVIAVUVCBMQ-LBPRGKRZSA-N 1 0 293.367 -0.959 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001147382148 814891078 /nfs/dbraw/zinc/89/10/78/814891078.db2.gz BBTCQFUICJWHID-UHFFFAOYSA-N 1 0 275.308 -0.188 20 30 CBEDRO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001147514139 814896476 /nfs/dbraw/zinc/89/64/76/814896476.db2.gz DPRLDFJKAQPVRN-AWEZNQCLSA-N 1 0 292.379 -0.059 20 30 CBEDRO C#CCOCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001147534180 814896745 /nfs/dbraw/zinc/89/67/45/814896745.db2.gz AFKFLANAYJCOPQ-LBPRGKRZSA-N 1 0 293.367 -0.566 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001147686936 814908142 /nfs/dbraw/zinc/90/81/42/814908142.db2.gz BEAMPFFNKRTZFB-SNVBAGLBSA-N 1 0 261.329 -0.361 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001147679562 814908660 /nfs/dbraw/zinc/90/86/60/814908660.db2.gz 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CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCS(=O)(=O)NC ZINC001319455986 817206546 /nfs/dbraw/zinc/20/65/46/817206546.db2.gz VFMLBLDQBPYWRC-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#Cc1cncc(C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)c1 ZINC001319528075 817214771 /nfs/dbraw/zinc/21/47/71/817214771.db2.gz NAXOMGZLBGXIGR-SNVBAGLBSA-N 1 0 274.324 -0.402 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1cnc[nH]1 ZINC001319539351 817217242 /nfs/dbraw/zinc/21/72/42/817217242.db2.gz ZCPQQMVBRPTHIG-JTQLQIEISA-N 1 0 292.343 -0.972 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1nnnc1C(C)C ZINC001319546421 817217281 /nfs/dbraw/zinc/21/72/81/817217281.db2.gz JLIUAHCFYHIZHF-LLVKDONJSA-N 1 0 278.360 -0.134 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O)nc1 ZINC001319562746 817220083 /nfs/dbraw/zinc/22/00/83/817220083.db2.gz MXGBJWGEQFEYTO-QWRGUYRKSA-N 1 0 288.351 -0.013 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O)nc1 ZINC001319562743 817220140 /nfs/dbraw/zinc/22/01/40/817220140.db2.gz MXGBJWGEQFEYTO-GHMZBOCLSA-N 1 0 288.351 -0.013 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C[C@@H]1C ZINC001319671657 817232058 /nfs/dbraw/zinc/23/20/58/817232058.db2.gz CORBCOLGDSLORT-WCQYABFASA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001319774783 817242290 /nfs/dbraw/zinc/24/22/90/817242290.db2.gz OJYFQRKPXMSBKI-VXGBXAGGSA-N 1 0 278.356 -0.338 20 30 CBEDRO C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C(N)=O ZINC001319773414 817242306 /nfs/dbraw/zinc/24/23/06/817242306.db2.gz BILRXUWDFNUJTJ-LLVKDONJSA-N 1 0 251.330 -0.144 20 30 CBEDRO CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001319790470 817243014 /nfs/dbraw/zinc/24/30/14/817243014.db2.gz KHFXMVDJXVYBOC-CMPLNLGQSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CCOC)C(N)=O)CC1 ZINC001319828481 817246201 /nfs/dbraw/zinc/24/62/01/817246201.db2.gz LOIPIHUUOYTLLX-LBPRGKRZSA-N 1 0 281.356 -0.662 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C(N)=O ZINC001319860407 817248602 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C[NH+](C)C[C@@](C)(O)CNC(=O)C1(C#N)CCOCC1 ZINC001320097285 817277970 /nfs/dbraw/zinc/27/79/70/817277970.db2.gz ALIAUFOOEUFWMU-LBPRGKRZSA-N 1 0 269.345 -0.264 20 30 CBEDRO CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001320116628 817279169 /nfs/dbraw/zinc/27/91/69/817279169.db2.gz UFQSAXFJAIVLHG-GHMZBOCLSA-N 1 0 252.318 -0.479 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN1CCOCC1=O ZINC001320128992 817280728 /nfs/dbraw/zinc/28/07/28/817280728.db2.gz BSEQZFPPMNJQLT-CHWSQXEVSA-N 1 0 295.383 -0.094 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1ncnn1 ZINC001320130609 817280960 /nfs/dbraw/zinc/28/09/60/817280960.db2.gz JABUPKNURHPLKQ-VXGBXAGGSA-N 1 0 276.344 -0.429 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1ncnn1 ZINC001320130600 817280987 /nfs/dbraw/zinc/28/09/87/817280987.db2.gz JABUPKNURHPLKQ-NEPJUHHUSA-N 1 0 276.344 -0.429 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320184077 817285354 /nfs/dbraw/zinc/28/53/54/817285354.db2.gz DKWTVNVETHJYMC-ZDUSSCGKSA-N 1 0 279.340 -0.034 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(C)=O ZINC001320187737 817286858 /nfs/dbraw/zinc/28/68/58/817286858.db2.gz MKNWZQFFWVZSGG-GFCCVEGCSA-N 1 0 271.361 -0.502 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCc1ccnn1C ZINC001320202203 817289761 /nfs/dbraw/zinc/28/97/61/817289761.db2.gz NYKFWEGERISFFG-ZYHUDNBSSA-N 1 0 279.344 -0.811 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1C ZINC001320201803 817290038 /nfs/dbraw/zinc/29/00/38/817290038.db2.gz PWTFPFMCJZYHHI-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001320201760 817290114 /nfs/dbraw/zinc/29/01/14/817290114.db2.gz LJBOMFPHWXQOQY-JTQLQIEISA-N 1 0 252.318 -0.405 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320201092 817290242 /nfs/dbraw/zinc/29/02/42/817290242.db2.gz ORKURHFLLLFRHH-QMMMGPOBSA-N 1 0 258.709 -0.158 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C ZINC001320200868 817290839 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CC(C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001320214416 817294334 /nfs/dbraw/zinc/29/43/34/817294334.db2.gz CKQDRXOJHXJAMB-NSHDSACASA-N 1 0 250.302 -0.025 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CCNC(=O)C1CC1 ZINC001320214862 817294712 /nfs/dbraw/zinc/29/47/12/817294712.db2.gz BEWQTDBEXYLBBH-ZDUSSCGKSA-N 1 0 295.383 -0.761 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001320214395 817295194 /nfs/dbraw/zinc/29/51/94/817295194.db2.gz CGAQBWKUCROKTB-GHMZBOCLSA-N 1 0 270.329 -0.418 20 30 CBEDRO Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001320219567 817297594 /nfs/dbraw/zinc/29/75/94/817297594.db2.gz YJLWHIYGWUHQSN-GFCCVEGCSA-N 1 0 293.371 -0.569 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001320226137 817297617 /nfs/dbraw/zinc/29/76/17/817297617.db2.gz ABHVTWLBCJRYDZ-TZMCWYRMSA-N 1 0 292.383 -0.082 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cncs1 ZINC001320233711 817300104 /nfs/dbraw/zinc/30/01/04/817300104.db2.gz IIJBTLAROHKLFW-SNVBAGLBSA-N 1 0 267.354 -0.224 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001320237300 817300835 /nfs/dbraw/zinc/30/08/35/817300835.db2.gz HVANYBZUWUFYIC-IUODEOHRSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)COc1cc(C)on1 ZINC001320235785 817301439 /nfs/dbraw/zinc/30/14/39/817301439.db2.gz RCSHYUKYKBEGDX-JTQLQIEISA-N 1 0 269.301 -0.385 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001320237946 817301899 /nfs/dbraw/zinc/30/18/99/817301899.db2.gz NQCWNGXHPKMCDT-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001320235755 817301952 /nfs/dbraw/zinc/30/19/52/817301952.db2.gz QMEGVUZJHSZVSB-LLVKDONJSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001320240712 817302974 /nfs/dbraw/zinc/30/29/74/817302974.db2.gz BXVLSOXOFQHREC-VXGBXAGGSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cncn1C ZINC001320249063 817304555 /nfs/dbraw/zinc/30/45/55/817304555.db2.gz XEOICCDTLXFREY-JTQLQIEISA-N 1 0 250.302 -0.876 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cncn1C ZINC001320245884 817304637 /nfs/dbraw/zinc/30/46/37/817304637.db2.gz NDZHSTLZKWUTKA-SNVBAGLBSA-N 1 0 252.318 -0.324 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc(C)co1 ZINC001320261937 817306305 /nfs/dbraw/zinc/30/63/05/817306305.db2.gz FZDYVZQIZHNLEO-NSHDSACASA-N 1 0 293.323 -0.982 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](CC)C(N)=O ZINC001320259057 817306380 /nfs/dbraw/zinc/30/63/80/817306380.db2.gz OKPPSFSJBVTSKO-ZJUUUORDSA-N 1 0 271.361 -0.471 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001320261855 817306629 /nfs/dbraw/zinc/30/66/29/817306629.db2.gz DVLSUIQIDCWRSU-GFCCVEGCSA-N 1 0 283.372 -0.665 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001320260963 817306657 /nfs/dbraw/zinc/30/66/57/817306657.db2.gz VRDWGNZBTJJWON-DTWKUNHWSA-N 1 0 257.334 -0.861 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)co1 ZINC001320261292 817306704 /nfs/dbraw/zinc/30/67/04/817306704.db2.gz BUXSLOQXXQUZHH-GFCCVEGCSA-N 1 0 280.324 -0.082 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001320270001 817309282 /nfs/dbraw/zinc/30/92/82/817309282.db2.gz GHFWWCXNZQAFTJ-RYUDHWBXSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001320271141 817309621 /nfs/dbraw/zinc/30/96/21/817309621.db2.gz BKMDDCPNVXTECG-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001320269944 817310118 /nfs/dbraw/zinc/31/01/18/817310118.db2.gz DVKJPCZUUPJKMD-GXFFZTMASA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(CC)nc1C ZINC001320281463 817312677 /nfs/dbraw/zinc/31/26/77/817312677.db2.gz APVIKSSCVPWSBQ-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C(F)F ZINC001320295882 817317111 /nfs/dbraw/zinc/31/71/11/817317111.db2.gz 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820305712 /nfs/dbraw/zinc/30/57/12/820305712.db2.gz VACGZQRLLIRDQC-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+]([C@@H](C)[C@H](C)O)CC1 ZINC001170614623 820310620 /nfs/dbraw/zinc/31/06/20/820310620.db2.gz QBIVIPKOVPGJSI-RYUDHWBXSA-N 1 0 253.346 -0.877 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+]([C@H](C)[C@H](C)O)CC1 ZINC001170614621 820310740 /nfs/dbraw/zinc/31/07/40/820310740.db2.gz QBIVIPKOVPGJSI-NEPJUHHUSA-N 1 0 253.346 -0.877 20 30 CBEDRO N#Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170771686 820314162 /nfs/dbraw/zinc/31/41/62/820314162.db2.gz FMWFSBUENZWUGU-VXNVDRBHSA-N 1 0 263.257 -0.146 20 30 CBEDRO CSc1ncc(C#N)c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170775872 820319991 /nfs/dbraw/zinc/31/99/91/820319991.db2.gz ZKUXPQWMURWSFF-IUCAKERBSA-N 1 0 265.342 -0.516 20 30 CBEDRO N#Cc1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170779329 820321023 /nfs/dbraw/zinc/32/10/23/820321023.db2.gz XUCLEWPFZBTNDU-DTWKUNHWSA-N 1 0 263.257 -0.146 20 30 CBEDRO COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188683658 823710920 /nfs/dbraw/zinc/71/09/20/823710920.db2.gz FTYIXJLBAZJRNU-ZDUSSCGKSA-N 1 0 281.356 -0.695 20 30 CBEDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(C#N)ncn1 ZINC001170869509 820331554 /nfs/dbraw/zinc/33/15/54/820331554.db2.gz HBSNLXBSOZWJSP-NXEZZACHSA-N 1 0 261.285 -0.089 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001170982823 820342326 /nfs/dbraw/zinc/34/23/26/820342326.db2.gz UXPVCHOJCOSXPM-NSHDSACASA-N 1 0 286.397 -0.071 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])c1nc(C)nc(OC)c1C#N ZINC001170991627 820342482 /nfs/dbraw/zinc/34/24/82/820342482.db2.gz BTADWBWFSOLQNM-UHFFFAOYSA-N 1 0 293.327 -0.007 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CNC(=O)NC ZINC001171108185 820347253 /nfs/dbraw/zinc/34/72/53/820347253.db2.gz KNYORPZZZMECLT-LLVKDONJSA-N 1 0 268.361 -0.187 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CCOCCO)nc1 ZINC001171585141 820361881 /nfs/dbraw/zinc/36/18/81/820361881.db2.gz KMSQTBGOFDLURI-UHFFFAOYSA-N 1 0 291.351 -0.219 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@H]2CCNC2=O)cn1 ZINC001171594998 820364637 /nfs/dbraw/zinc/36/46/37/820364637.db2.gz RMSAAVSJQORRIH-ZDUSSCGKSA-N 1 0 286.335 -0.339 20 30 CBEDRO CNC(=O)C1(C(=O)NCCC[NH2+]CC#CCOC)CCC1 ZINC001171749228 820370160 /nfs/dbraw/zinc/37/01/60/820370160.db2.gz WNFCPKUGIIKTSQ-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172011209 820376025 /nfs/dbraw/zinc/37/60/25/820376025.db2.gz GFLRGDHWJNXIGM-SBMIAAHKSA-N 1 0 267.329 -0.035 20 30 CBEDRO C=CCOC1CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001173318102 820401201 /nfs/dbraw/zinc/40/12/01/820401201.db2.gz VCNKHLLBFZZGPW-ILDUYXDCSA-N 1 0 269.345 -0.181 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001174694618 820415201 /nfs/dbraw/zinc/41/52/01/820415201.db2.gz UGNOMUCQTNICBC-NEPJUHHUSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174827452 820417402 /nfs/dbraw/zinc/41/74/02/820417402.db2.gz HSZJBRFKIYDXIJ-GFCCVEGCSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174827463 820417440 /nfs/dbraw/zinc/41/74/40/820417440.db2.gz HSZJBRFKIYDXIJ-LBPRGKRZSA-N 1 0 251.330 -0.416 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001174989335 820420629 /nfs/dbraw/zinc/42/06/29/820420629.db2.gz UTZBEIPVWZNFIA-ZDUSSCGKSA-N 1 0 281.356 -0.647 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175018405 820421657 /nfs/dbraw/zinc/42/16/57/820421657.db2.gz LBNYJCZKLNPTHM-UHFFFAOYSA-N 1 0 279.344 -0.991 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001175492891 820427756 /nfs/dbraw/zinc/42/77/56/820427756.db2.gz QUJDCXHPJAJCAP-MNOVXSKESA-N 1 0 294.355 -0.518 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001175747804 820432508 /nfs/dbraw/zinc/43/25/08/820432508.db2.gz TYGYBTQLPHNHIU-LLVKDONJSA-N 1 0 294.355 -0.564 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1ccn(C)n1 ZINC001176081561 820440095 /nfs/dbraw/zinc/44/00/95/820440095.db2.gz XPNCUHQZIJXLGJ-UHFFFAOYSA-N 1 0 264.329 -0.221 20 30 CBEDRO C#CCNC(=O)CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001176106174 820441805 /nfs/dbraw/zinc/44/18/05/820441805.db2.gz ZTHWBBJPEZBMTR-UHFFFAOYSA-N 1 0 279.384 -0.031 20 30 CBEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001176287306 820444110 /nfs/dbraw/zinc/44/41/10/820444110.db2.gz BDJZCMWVIHRRJU-LLVKDONJSA-N 1 0 289.401 -0.260 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccnc(C)n1 ZINC001176287402 820444764 /nfs/dbraw/zinc/44/47/64/820444764.db2.gz BVUHYDLXBRIONH-UHFFFAOYSA-N 1 0 291.355 -0.203 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176288431 820444778 /nfs/dbraw/zinc/44/47/78/820444778.db2.gz IKMMHRGNPRNAAH-JTQLQIEISA-N 1 0 275.374 -0.650 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CNC(=O)[C@@H](C)CC ZINC001176327194 820445843 /nfs/dbraw/zinc/44/58/43/820445843.db2.gz CVKIAUACIPLLAC-NSHDSACASA-N 1 0 253.346 -0.122 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CS(=O)(=O)C(C)C ZINC001176350084 820446769 /nfs/dbraw/zinc/44/67/69/820446769.db2.gz WIAICTIBMSHSDX-UHFFFAOYSA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)CCC ZINC001176357787 820447937 /nfs/dbraw/zinc/44/79/37/820447937.db2.gz OXRBFFKQCVEXKC-UHFFFAOYSA-N 1 0 260.359 -0.460 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)CCOC ZINC001176461442 820449539 /nfs/dbraw/zinc/44/95/39/820449539.db2.gz IMEJHYGZULQZBJ-STQMWFEESA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCNC(N)=O ZINC001176496357 820450578 /nfs/dbraw/zinc/45/05/78/820450578.db2.gz RQJRYVGORIAFNA-LLVKDONJSA-N 1 0 268.361 -0.057 20 30 CBEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487507 820451446 /nfs/dbraw/zinc/45/14/46/820451446.db2.gz SGUWCLMDMNWCJD-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176485368 820451758 /nfs/dbraw/zinc/45/17/58/820451758.db2.gz FHGCBKCKJCXMPZ-NSHDSACASA-N 1 0 294.355 -0.564 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1ccc[nH]1 ZINC001176651635 820454488 /nfs/dbraw/zinc/45/44/88/820454488.db2.gz IHGFWGYNRBHARM-UHFFFAOYSA-N 1 0 276.340 -0.598 20 30 CBEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001176638312 820455104 /nfs/dbraw/zinc/45/51/04/820455104.db2.gz ASRLCMXMDDIANK-LLVKDONJSA-N 1 0 291.417 -0.014 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001176675608 820456291 /nfs/dbraw/zinc/45/62/91/820456291.db2.gz KPLUCOJXKDSNBP-AWEZNQCLSA-N 1 0 279.384 -0.174 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001176857147 820471262 /nfs/dbraw/zinc/47/12/62/820471262.db2.gz RDNHKIPVUDPALH-LLVKDONJSA-N 1 0 261.329 -0.430 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CNC(=O)C1CCC1 ZINC001176907412 820479289 /nfs/dbraw/zinc/47/92/89/820479289.db2.gz ZVSZZHBGKUGZKS-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001177025132 820488183 /nfs/dbraw/zinc/48/81/83/820488183.db2.gz BTPITSXLFNZZGA-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C[NH+](C)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 ZINC001177081847 820492022 /nfs/dbraw/zinc/49/20/22/820492022.db2.gz SOBRJYBHSOOWLZ-CHWSQXEVSA-N 1 0 280.372 -0.237 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001177069522 820492051 /nfs/dbraw/zinc/49/20/51/820492051.db2.gz OEAPYVKKRSEKMY-LLVKDONJSA-N 1 0 274.386 -0.214 20 30 CBEDRO C#CCN1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177079787 820492972 /nfs/dbraw/zinc/49/29/72/820492972.db2.gz GHWZFVPLFMKGEN-KBPBESRZSA-N 1 0 279.384 -0.127 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001177260039 820501531 /nfs/dbraw/zinc/50/15/31/820501531.db2.gz CDHDCCOLFWWYTP-UHFFFAOYSA-N 1 0 271.361 -0.237 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001177273661 820501067 /nfs/dbraw/zinc/50/10/67/820501067.db2.gz VLHVJOROGGBVJI-QWRGUYRKSA-N 1 0 297.355 -0.521 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001177264743 820501268 /nfs/dbraw/zinc/50/12/68/820501268.db2.gz XLQBCBCXWGNYEM-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001177273264 820501337 /nfs/dbraw/zinc/50/13/37/820501337.db2.gz LMYBNYXTVPABSX-GHMZBOCLSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001177272988 820501428 /nfs/dbraw/zinc/50/14/28/820501428.db2.gz DAJSRGFVJDFEQC-NXEZZACHSA-N 1 0 257.334 -0.453 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001177264463 820501570 /nfs/dbraw/zinc/50/15/70/820501570.db2.gz KKBWUBADNPDJNZ-UHFFFAOYSA-N 1 0 292.401 -0.280 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001177269399 820501790 /nfs/dbraw/zinc/50/17/90/820501790.db2.gz LPXRKDMJJQZNKL-LLVKDONJSA-N 1 0 271.361 -0.238 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1nonc1C ZINC001177440285 820519275 /nfs/dbraw/zinc/51/92/75/820519275.db2.gz CASBZHVVWVUJEW-JTQLQIEISA-N 1 0 295.343 -0.222 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1c(OC)ncnc1OC ZINC001177447340 820520869 /nfs/dbraw/zinc/52/08/69/820520869.db2.gz LDUQDDAVRSIJQU-UHFFFAOYSA-N 1 0 278.312 -0.164 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001177454949 820522463 /nfs/dbraw/zinc/52/24/63/820522463.db2.gz FFSUOQVVHCSHTQ-GFCCVEGCSA-N 1 0 281.356 -0.599 20 30 CBEDRO CCOCC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001177831228 820542783 /nfs/dbraw/zinc/54/27/83/820542783.db2.gz JSAVMFXHHDLWFV-UHFFFAOYSA-N 1 0 298.387 -0.071 20 30 CBEDRO COCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001177986501 820550733 /nfs/dbraw/zinc/55/07/33/820550733.db2.gz GFNBWBHWOQINBV-QWRGUYRKSA-N 1 0 282.344 -0.758 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC)[C@H]1C ZINC001177973332 820550757 /nfs/dbraw/zinc/55/07/57/820550757.db2.gz RFUASVGIXFJVPF-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)CS(C)(=O)=O ZINC001177950923 820551603 /nfs/dbraw/zinc/55/16/03/820551603.db2.gz WHGKFXQSPMDRTE-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(C)(F)F ZINC001178033892 820555730 /nfs/dbraw/zinc/55/57/30/820555730.db2.gz BXNFLYVQMMKNMB-IUCAKERBSA-N 1 0 288.298 -0.140 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC)[C@H]1C ZINC001178057495 820557024 /nfs/dbraw/zinc/55/70/24/820557024.db2.gz FXZXVVYRWUBSGS-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@H](C#N)C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178053271 820557551 /nfs/dbraw/zinc/55/75/51/820557551.db2.gz PHEGCELMIPZHQR-SNVBAGLBSA-N 1 0 254.334 -0.102 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C ZINC001178144478 820565588 /nfs/dbraw/zinc/56/55/88/820565588.db2.gz VVWPTENPMCEESM-IHRRRGAJSA-N 1 0 296.367 -0.369 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C ZINC001178257464 820570589 /nfs/dbraw/zinc/57/05/89/820570589.db2.gz JHCFPEQFUIKLNJ-AVGNSLFASA-N 1 0 293.367 -0.649 20 30 CBEDRO CC[C@H](OC)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178281930 820572449 /nfs/dbraw/zinc/57/24/49/820572449.db2.gz FJTJTMKRYRBXKP-SRVKXCTJSA-N 1 0 296.371 -0.370 20 30 CBEDRO 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CC[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179313762 820623295 /nfs/dbraw/zinc/62/32/95/820623295.db2.gz KCJOADFYHIXTLU-AXFHLTTASA-N 1 0 284.335 -0.047 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295245 820623433 /nfs/dbraw/zinc/62/34/33/820623433.db2.gz ODVPUIZDMLRBSI-STQMWFEESA-N 1 0 292.383 -0.980 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179299855 820623958 /nfs/dbraw/zinc/62/39/58/820623958.db2.gz BKCRKVINLGBBKK-SDDRHHMPSA-N 1 0 278.356 -0.388 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001179295809 820624321 /nfs/dbraw/zinc/62/43/21/820624321.db2.gz SJUVDBWAPMISRD-STQMWFEESA-N 1 0 294.399 -0.427 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300596 820624364 /nfs/dbraw/zinc/62/43/64/820624364.db2.gz QMGGTVFIVBVEHD-SDDRHHMPSA-N 1 0 278.356 -0.388 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179439142 820627535 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CC#CC[NH2+]C[C@]1(C)CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001180507108 820685027 /nfs/dbraw/zinc/68/50/27/820685027.db2.gz UIGUEFBAXUBRNF-BXUZGUMPSA-N 1 0 280.372 -0.248 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001180523486 820685327 /nfs/dbraw/zinc/68/53/27/820685327.db2.gz VIBLNRSTGNXOBN-GFCCVEGCSA-N 1 0 293.367 -0.061 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(F)F)C1 ZINC001180587168 820697130 /nfs/dbraw/zinc/69/71/30/820697130.db2.gz DHFNFZNLWIPJBA-DTWKUNHWSA-N 1 0 273.283 -0.420 20 30 CBEDRO C#C[C@H](C)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612346 820700321 /nfs/dbraw/zinc/70/03/21/820700321.db2.gz BMDOHZVDOGTRBE-JTQLQIEISA-N 1 0 251.330 -0.288 20 30 CBEDRO CN(CC#N)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610563 820700334 /nfs/dbraw/zinc/70/03/34/820700334.db2.gz LJCIWVSLHSKUIL-UHFFFAOYSA-N 1 0 252.318 -0.444 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCOC)C1 ZINC001180618946 820700908 /nfs/dbraw/zinc/70/09/08/820700908.db2.gz NTISXGVQDSBBKO-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO CC(C)(F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180641929 820705732 /nfs/dbraw/zinc/70/57/32/820705732.db2.gz DBUUMQMDXYYYPP-SECBINFHSA-N 1 0 270.308 -0.435 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC)C1 ZINC001180669205 820708526 /nfs/dbraw/zinc/70/85/26/820708526.db2.gz SOIVGRKMWYRTQV-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001180702032 820711868 /nfs/dbraw/zinc/71/18/68/820711868.db2.gz WJHMZPYHQIZJCA-GFCCVEGCSA-N 1 0 265.357 -0.028 20 30 CBEDRO CCOCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001180788147 820725935 /nfs/dbraw/zinc/72/59/35/820725935.db2.gz PFJRKRRQTZTWJS-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001180816694 820728360 /nfs/dbraw/zinc/72/83/60/820728360.db2.gz FXJQNRXNFWEERU-VXGBXAGGSA-N 1 0 279.340 -0.895 20 30 CBEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180871443 820736070 /nfs/dbraw/zinc/73/60/70/820736070.db2.gz YOWBFXRUFGMKNW-LLVKDONJSA-N 1 0 264.333 -0.170 20 30 CBEDRO COCC#CC[NH2+]C[C@]1(C)CN(C(=O)CC(N)=O)C[C@H]1C ZINC001180946194 820741294 /nfs/dbraw/zinc/74/12/94/820741294.db2.gz OYKCVRGLKSWPQP-IUODEOHRSA-N 1 0 295.383 -0.414 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180959436 820742627 /nfs/dbraw/zinc/74/26/27/820742627.db2.gz XBNBYUAWFBUEOZ-GFCCVEGCSA-N 1 0 291.355 -0.624 20 30 CBEDRO CC[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181029083 820750223 /nfs/dbraw/zinc/75/02/23/820750223.db2.gz GNLNEGLUMCXODI-WDEREUQCSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181131455 820759274 /nfs/dbraw/zinc/75/92/74/820759274.db2.gz SBSBKRFKCKWRSH-GFCCVEGCSA-N 1 0 251.330 -0.322 20 30 CBEDRO C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181173687 820763172 /nfs/dbraw/zinc/76/31/72/820763172.db2.gz NBLZEOWXYHOYIU-IUODEOHRSA-N 1 0 295.383 -0.808 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001181310317 820773424 /nfs/dbraw/zinc/77/34/24/820773424.db2.gz SFCCDFFMKQWQDQ-GHMZBOCLSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181296391 820773633 /nfs/dbraw/zinc/77/36/33/820773633.db2.gz OBZHXBXEEMMXHD-DFBGVHRSSA-N 1 0 297.399 -0.127 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181433522 820787043 /nfs/dbraw/zinc/78/70/43/820787043.db2.gz NXAFQPZAMODKJE-LALPHHSUSA-N 1 0 295.383 -0.416 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001181412768 820787052 /nfs/dbraw/zinc/78/70/52/820787052.db2.gz NYYJOTTVSURRQK-QWHCGFSZSA-N 1 0 266.341 -0.137 20 30 CBEDRO CCCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181427185 820787542 /nfs/dbraw/zinc/78/75/42/820787542.db2.gz IFGTZZLXRMTJFH-LLVKDONJSA-N 1 0 282.344 -0.757 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181412767 820788092 /nfs/dbraw/zinc/78/80/92/820788092.db2.gz NYYJOTTVSURRQK-CHWSQXEVSA-N 1 0 266.341 -0.137 20 30 CBEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001181516657 820792024 /nfs/dbraw/zinc/79/20/24/820792024.db2.gz AQOFQHHPSAEMML-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO C=CCCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001181542974 820795406 /nfs/dbraw/zinc/79/54/06/820795406.db2.gz JCMGPAUGJOHPOI-NXEZZACHSA-N 1 0 282.344 -0.274 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001181600140 820802113 /nfs/dbraw/zinc/80/21/13/820802113.db2.gz VWVBFAUGHAVMBO-VHSXEESVSA-N 1 0 255.318 -0.747 20 30 CBEDRO CCn1nnc(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC001181599420 820803140 /nfs/dbraw/zinc/80/31/40/820803140.db2.gz IPWKVJNCAKSPRF-UHFFFAOYSA-N 1 0 260.305 -0.141 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC)C1 ZINC001181617609 820805788 /nfs/dbraw/zinc/80/57/88/820805788.db2.gz FXHMFOMFKMRKRJ-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181651739 820806986 /nfs/dbraw/zinc/80/69/86/820806986.db2.gz GEZQUWNHOVUTCX-GHMZBOCLSA-N 1 0 262.313 -0.914 20 30 CBEDRO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181653365 820807583 /nfs/dbraw/zinc/80/75/83/820807583.db2.gz YZKXUBPCNCFION-GHMZBOCLSA-N 1 0 266.345 -0.139 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001181652991 820808156 /nfs/dbraw/zinc/80/81/56/820808156.db2.gz SRBNHUNVHFIPOF-GMTAPVOTSA-N 1 0 255.318 -0.656 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001181652979 820808561 /nfs/dbraw/zinc/80/85/61/820808561.db2.gz SJASVCBPCKXGGY-NXEZZACHSA-N 1 0 252.318 -0.575 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001181652791 820808579 /nfs/dbraw/zinc/80/85/79/820808579.db2.gz PWCFRONNKHTTFC-WDEREUQCSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001181698936 820813992 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CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181879362 820836775 /nfs/dbraw/zinc/83/67/75/820836775.db2.gz QKPYVOFQZDDFRM-SNVBAGLBSA-N 1 0 275.312 -0.564 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181922412 820838779 /nfs/dbraw/zinc/83/87/79/820838779.db2.gz VPLNVAVPQVVLCJ-LLVKDONJSA-N 1 0 261.329 -0.049 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182018490 820849880 /nfs/dbraw/zinc/84/98/80/820849880.db2.gz YOMFSNUGVWRUJV-WDEREUQCSA-N 1 0 265.313 -0.100 20 30 CBEDRO C[NH+]1CCC(O)(C(=O)N2C[C@@H](F)C[C@H]2C#N)CC1 ZINC001182031803 820853694 /nfs/dbraw/zinc/85/36/94/820853694.db2.gz FAARNCLWQHSOFA-UWVGGRQHSA-N 1 0 255.293 -0.094 20 30 CBEDRO COc1ccc(C#CC(=O)NCC[NH2+]CCO)cc1 ZINC001182048535 820859810 /nfs/dbraw/zinc/85/98/10/820859810.db2.gz OSNFROVNTHLKCZ-UHFFFAOYSA-N 1 0 262.309 -0.255 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182121471 820874461 /nfs/dbraw/zinc/87/44/61/820874461.db2.gz 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CBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001182421035 820914728 /nfs/dbraw/zinc/91/47/28/820914728.db2.gz DQNDPGPOANXUCN-UHIISALHSA-N 1 0 278.356 -0.625 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001182423248 820916105 /nfs/dbraw/zinc/91/61/05/820916105.db2.gz XPZYBYWHKRSNBH-VXGBXAGGSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](NCc2cnn(C)n2)C1 ZINC001182496512 820923901 /nfs/dbraw/zinc/92/39/01/820923901.db2.gz MKAQKWKCYCUGGG-GFCCVEGCSA-N 1 0 291.355 -0.455 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001182504858 820925553 /nfs/dbraw/zinc/92/55/53/820925553.db2.gz MNQRPLRCDDZDJS-DGCLKSJQSA-N 1 0 293.367 -0.506 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182529345 820925773 /nfs/dbraw/zinc/92/57/73/820925773.db2.gz BVMPIRGQVLNSJI-NXEZZACHSA-N 1 0 254.334 -0.190 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001182504890 820926089 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C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001183085829 820974315 /nfs/dbraw/zinc/97/43/15/820974315.db2.gz LAYOBMYZAGACSA-LLVKDONJSA-N 1 0 251.330 -0.109 20 30 CBEDRO C#CCC1(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CCOCC1 ZINC001183200880 820980474 /nfs/dbraw/zinc/98/04/74/820980474.db2.gz YAMBBUKIWHEBBL-CYBMUJFWSA-N 1 0 280.368 -0.011 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183374111 820992718 /nfs/dbraw/zinc/99/27/18/820992718.db2.gz QKIBVPGJNDRZKY-KXUCPTDWSA-N 1 0 253.302 -0.102 20 30 CBEDRO C[NH+](C)[C@H]1C[C@@H](C(=O)N(O)C(=N)c2nonc2N)C1 ZINC001183373955 820993208 /nfs/dbraw/zinc/99/32/08/820993208.db2.gz AYKCFYXVHPXTDC-OLQVQODUSA-N 1 0 268.277 -0.465 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427335 820994094 /nfs/dbraw/zinc/99/40/94/820994094.db2.gz JJGSLQLREHTLDH-SNVBAGLBSA-N 1 0 251.330 -0.288 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001183465189 820994353 /nfs/dbraw/zinc/99/43/53/820994353.db2.gz FMGFIVWXMVNEFS-LLVKDONJSA-N 1 0 292.339 -0.122 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001183657624 821015664 /nfs/dbraw/zinc/01/56/64/821015664.db2.gz SFELELHZHJHYAG-WDEREUQCSA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001183736248 821032202 /nfs/dbraw/zinc/03/22/02/821032202.db2.gz RAOIXCHYDYNKAE-AAEUAGOBSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2CC)C1 ZINC001183826426 821034588 /nfs/dbraw/zinc/03/45/88/821034588.db2.gz LLKBMXOOBJTTGC-KGLIPLIRSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C ZINC001183861902 821034795 /nfs/dbraw/zinc/03/47/95/821034795.db2.gz SSQJNFDMEHAKBJ-GHMZBOCLSA-N 1 0 266.345 -0.638 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183867582 821035953 /nfs/dbraw/zinc/03/59/53/821035953.db2.gz FKYGTLBOGCYNFP-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001184015302 821045514 /nfs/dbraw/zinc/04/55/14/821045514.db2.gz PGAXSDQSAYANQF-LLVKDONJSA-N 1 0 290.323 -0.837 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001184058510 821052440 /nfs/dbraw/zinc/05/24/40/821052440.db2.gz MUHLQUNTCBHAIF-QWHCGFSZSA-N 1 0 292.383 -0.009 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CC(=O)NC)C[C@@H]1C ZINC001184241279 821062630 /nfs/dbraw/zinc/06/26/30/821062630.db2.gz LPCSOABSDBLPMN-RYUDHWBXSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C ZINC001184241277 821062655 /nfs/dbraw/zinc/06/26/55/821062655.db2.gz LPCSOABSDBLPMN-NEPJUHHUSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CC(=O)NC)C[C@H]1C ZINC001184241280 821063027 /nfs/dbraw/zinc/06/30/27/821063027.db2.gz LPCSOABSDBLPMN-VXGBXAGGSA-N 1 0 265.357 -0.170 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC(F)F)C1 ZINC001184353564 821071992 /nfs/dbraw/zinc/07/19/92/821071992.db2.gz XSNMPDBMYWPNLD-SECBINFHSA-N 1 0 288.298 -0.138 20 30 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N#CCN1CC2(C1)CC[C@@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001280933980 828382033 /nfs/dbraw/zinc/38/20/33/828382033.db2.gz CYFNPFMRPCQWPO-ZDUSSCGKSA-N 1 0 292.383 -0.045 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)c2cn(C)nn2)CCOCC1 ZINC001281242362 828409383 /nfs/dbraw/zinc/40/93/83/828409383.db2.gz PWJHRHAQSOEFOF-UHFFFAOYSA-N 1 0 277.328 -0.683 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001281137365 828405265 /nfs/dbraw/zinc/40/52/65/828405265.db2.gz LBNRYSGFUXLJHO-IUODEOHRSA-N 1 0 293.367 -0.769 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001281242648 828409503 /nfs/dbraw/zinc/40/95/03/828409503.db2.gz REDVFDZXXGZSEL-CYBMUJFWSA-N 1 0 299.371 -0.946 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)NC(C)=O)C1 ZINC001281163557 828405771 /nfs/dbraw/zinc/40/57/71/828405771.db2.gz OSNWYERKDOQRHV-UKRRQHHQSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)c2cnon2)C1 ZINC001281168953 828405789 /nfs/dbraw/zinc/40/57/89/828405789.db2.gz WDAISPLWVJCZND-ZDUSSCGKSA-N 1 0 278.312 -0.350 20 30 CBEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001281164497 828405792 /nfs/dbraw/zinc/40/57/92/828405792.db2.gz WXINAZWDIGQRAV-LSDHHAIUSA-N 1 0 295.383 -0.216 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001281242650 828409512 /nfs/dbraw/zinc/40/95/12/828409512.db2.gz REDVFDZXXGZSEL-ZDUSSCGKSA-N 1 0 299.371 -0.946 20 30 CBEDRO C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001281165962 828405872 /nfs/dbraw/zinc/40/58/72/828405872.db2.gz AMULWCRCJASJNE-HNNXBMFYSA-N 1 0 290.367 -0.081 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)NC(C)=O)C1 ZINC001281163551 828405924 /nfs/dbraw/zinc/40/59/24/828405924.db2.gz OSNWYERKDOQRHV-DZGCQCFKSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCNC(N)=O)C1 ZINC001281185740 828407135 /nfs/dbraw/zinc/40/71/35/828407135.db2.gz XEBKDOIKWDISAN-CQSZACIVSA-N 1 0 296.371 -0.989 20 30 CBEDRO C=CCOCC(=O)NC1(C[NH2+]CC(=O)NC)CCOCC1 ZINC001281212149 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C#CCNC(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC=C)C[C@H]21 ZINC001187597737 822282773 /nfs/dbraw/zinc/28/27/73/822282773.db2.gz BMYKZJBGZBXUCE-QWHCGFSZSA-N 1 0 275.352 -0.155 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001187684987 822286609 /nfs/dbraw/zinc/28/66/09/822286609.db2.gz WIBRVEZBRXDRKK-SNVBAGLBSA-N 1 0 287.323 -0.597 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001187684950 822286942 /nfs/dbraw/zinc/28/69/42/822286942.db2.gz VESAHZXKOCOUSG-GHMZBOCLSA-N 1 0 292.339 -0.812 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001187698193 822287073 /nfs/dbraw/zinc/28/70/73/822287073.db2.gz HSDLNJCEIADEDT-OUCADQQQSA-N 1 0 268.357 -0.162 20 30 CBEDRO C=CCC[NH2+][C@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1C ZINC001281462605 828416986 /nfs/dbraw/zinc/41/69/86/828416986.db2.gz POFYIQGYGLYDDP-QWRGUYRKSA-N 1 0 294.355 -0.449 20 30 CBEDRO CC#CC[NH2+]CC1(NC(=O)c2nnn(C)n2)CCOCC1 ZINC001281264816 828411560 /nfs/dbraw/zinc/41/15/60/828411560.db2.gz OGHCSEGASGJUJA-UHFFFAOYSA-N 1 0 292.343 -0.898 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001187865449 822301831 /nfs/dbraw/zinc/30/18/31/822301831.db2.gz OSXSDUWGZUXRHW-FRRDWIJNSA-N 1 0 266.341 -0.450 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001281379091 828414117 /nfs/dbraw/zinc/41/41/17/828414117.db2.gz SHRCATDIQLVXGT-PWSUYJOCSA-N 1 0 291.355 -0.238 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC)C[C@@H]1C ZINC001281371445 828414273 /nfs/dbraw/zinc/41/42/73/828414273.db2.gz LSGDAXAMUQKMQS-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001188195210 822324605 /nfs/dbraw/zinc/32/46/05/822324605.db2.gz GHFMHMDVHARBNC-LLVKDONJSA-N 1 0 276.340 -0.449 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001188309866 822328116 /nfs/dbraw/zinc/32/81/16/822328116.db2.gz KFRGPMJHKXNSBI-NXEZZACHSA-N 1 0 255.318 -0.747 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001188301763 822328287 /nfs/dbraw/zinc/32/82/87/822328287.db2.gz KIGRDRLKYJMEIY-GHMZBOCLSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCC[NH2+][C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C ZINC001281408423 828415400 /nfs/dbraw/zinc/41/54/00/828415400.db2.gz HHXJRMNUDLWMLX-NEPJUHHUSA-N 1 0 293.371 -0.406 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001188405810 822340909 /nfs/dbraw/zinc/34/09/09/822340909.db2.gz YKBRVZSGMURUPI-NEPJUHHUSA-N 1 0 278.356 -0.257 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)C(N)=O)C1 ZINC001188462302 822344322 /nfs/dbraw/zinc/34/43/22/822344322.db2.gz ZEYMRELVOVEUQY-NEPJUHHUSA-N 1 0 265.357 -0.042 20 30 CBEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001188435776 822344425 /nfs/dbraw/zinc/34/44/25/822344425.db2.gz RETYCOPZODERPB-WDEREUQCSA-N 1 0 299.321 -0.076 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CCC(=O)N2)CC1 ZINC001281820565 828425384 /nfs/dbraw/zinc/42/53/84/828425384.db2.gz OUHPSEXYNCNMEO-GFCCVEGCSA-N 1 0 293.367 -0.769 20 30 CBEDRO CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001188599617 822354048 /nfs/dbraw/zinc/35/40/48/822354048.db2.gz DLYXAYBDSIRMAQ-VIFPVBQESA-N 1 0 288.298 -0.186 20 30 CBEDRO C#CCOCCC(=O)N1CCC(C)([NH2+]CC(=O)NC)CC1 ZINC001281489317 828418211 /nfs/dbraw/zinc/41/82/11/828418211.db2.gz DFKPYRQUYYYHFL-UHFFFAOYSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH2+]C1(C)CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001281509325 828418737 /nfs/dbraw/zinc/41/87/37/828418737.db2.gz XMIKBBLJXCHXBA-UHFFFAOYSA-N 1 0 263.341 -0.144 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)COC)CC1 ZINC001281603320 828420920 /nfs/dbraw/zinc/42/09/20/828420920.db2.gz JYEVDXUXFBIISI-GFCCVEGCSA-N 1 0 268.357 -0.155 20 30 CBEDRO C=CCCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001281873200 828427518 /nfs/dbraw/zinc/42/75/18/828427518.db2.gz DHWOZLZCJQMLFV-OLZOCXBDSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001281685862 828422453 /nfs/dbraw/zinc/42/24/53/828422453.db2.gz MNJZKBMTDNLHIP-QWRGUYRKSA-N 1 0 289.401 -0.309 20 30 CBEDRO COCC#CC[N@@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC001281677217 828422670 /nfs/dbraw/zinc/42/26/70/828422670.db2.gz UEGSSQWWRLOBKT-WDEREUQCSA-N 1 0 267.329 -0.909 20 30 CBEDRO COCC#CC[N@@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC001281677213 828422744 /nfs/dbraw/zinc/42/27/44/828422744.db2.gz UEGSSQWWRLOBKT-MNOVXSKESA-N 1 0 267.329 -0.909 20 30 CBEDRO C[C@@H](CCNC(=O)C[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001281697423 828423632 /nfs/dbraw/zinc/42/36/32/828423632.db2.gz ZRSBFNLAABPANS-RYUDHWBXSA-N 1 0 296.371 -0.320 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001281769936 828424275 /nfs/dbraw/zinc/42/42/75/828424275.db2.gz AACKVVQALRAFJZ-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001281942539 828428383 /nfs/dbraw/zinc/42/83/83/828428383.db2.gz QJVUPYGMWJSEKH-CYBMUJFWSA-N 1 0 292.383 -0.042 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001282143659 828436782 /nfs/dbraw/zinc/43/67/82/828436782.db2.gz VHERTJZZMFPMIY-RYUDHWBXSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)COC ZINC001281913132 828428898 /nfs/dbraw/zinc/42/88/98/828428898.db2.gz URWCQKTZRCANSH-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1 ZINC001281990640 828429694 /nfs/dbraw/zinc/42/96/94/828429694.db2.gz MZONVGVNTSHKMD-KPPDAEKUSA-N 1 0 287.385 -0.325 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)COC)C1 ZINC001281979828 828430272 /nfs/dbraw/zinc/43/02/72/828430272.db2.gz FJRCOLFKCCRQGD-UNXYVOJBSA-N 1 0 281.356 -0.745 20 30 CBEDRO CC#CC[NH2+]CC1CC(NC(=O)CN(C)C(=O)COC)C1 ZINC001282014788 828430980 /nfs/dbraw/zinc/43/09/80/828430980.db2.gz KAIYOYMQCDUPIR-UHFFFAOYSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001282086011 828433704 /nfs/dbraw/zinc/43/37/04/828433704.db2.gz YFFYIMLPNBMFRA-MOENNCHZSA-N 1 0 291.351 -0.453 20 30 CBEDRO C[C@@H](NC(=O)c1cnccn1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282083555 828433950 /nfs/dbraw/zinc/43/39/50/828433950.db2.gz CTGMVUSRTJSYDN-VHSXEESVSA-N 1 0 290.327 -0.787 20 30 CBEDRO C[C@H](NC(=O)c1ccn(C)c1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001282109647 828434511 /nfs/dbraw/zinc/43/45/11/828434511.db2.gz FVBZDRMCUBWTJD-QWRGUYRKSA-N 1 0 291.355 -0.239 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001282100209 828434952 /nfs/dbraw/zinc/43/49/52/828434952.db2.gz VXCSWQMYNLOTTM-QWRGUYRKSA-N 1 0 285.344 -0.525 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1[nH]nnc1C ZINC001282169448 828437138 /nfs/dbraw/zinc/43/71/38/828437138.db2.gz VSGIMXRTADNLTN-UWVGGRQHSA-N 1 0 279.344 -0.141 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001282159632 828437759 /nfs/dbraw/zinc/43/77/59/828437759.db2.gz LJXFVJCJIZPCBS-RYUDHWBXSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CCS(=O)(=O)CC1 ZINC001282204383 828438269 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C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001282231505 828439724 /nfs/dbraw/zinc/43/97/24/828439724.db2.gz ZJHOKPUHSWUOCC-WDEREUQCSA-N 1 0 279.340 -0.359 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001282230545 828439791 /nfs/dbraw/zinc/43/97/91/828439791.db2.gz QQROMCPJQSBDHK-RKDXNWHRSA-N 1 0 263.363 -0.796 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C(N)=O ZINC001282310316 828440334 /nfs/dbraw/zinc/44/03/34/828440334.db2.gz JONQNZQJNFWWCP-SNVBAGLBSA-N 1 0 298.387 -0.763 20 30 CBEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(=O)NC(C)C ZINC001282421676 828446624 /nfs/dbraw/zinc/44/66/24/828446624.db2.gz CQGJBWDHAWPUFC-ZDUSSCGKSA-N 1 0 296.415 -0.488 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)CCn1cncn1 ZINC001282392084 828443681 /nfs/dbraw/zinc/44/36/81/828443681.db2.gz UTXSRLVYDOUOKK-QWHCGFSZSA-N 1 0 293.371 -0.247 20 30 CBEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001282392130 828444224 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CBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001188746826 823715454 /nfs/dbraw/zinc/71/54/54/823715454.db2.gz KCWPCEOAEYPJIF-JQWIXIFHSA-N 1 0 251.330 -0.323 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283013010 828489644 /nfs/dbraw/zinc/48/96/44/828489644.db2.gz LFPREDZQKZVBBA-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO COCC#CC[NH2+]CCC[C@@H](C)NC(=O)CC(N)=O ZINC001283146426 828500219 /nfs/dbraw/zinc/50/02/19/828500219.db2.gz PSNDWRWDCYYFQX-LLVKDONJSA-N 1 0 269.345 -0.614 20 30 CBEDRO COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001283163664 828502694 /nfs/dbraw/zinc/50/26/94/828502694.db2.gz ALBYLQIKGWSTDU-NEPJUHHUSA-N 1 0 298.387 -0.433 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283207746 828508102 /nfs/dbraw/zinc/50/81/02/828508102.db2.gz FAKUZBQZIQPMEI-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001283271333 828511517 /nfs/dbraw/zinc/51/15/17/828511517.db2.gz KTVGNZWBTKJWGQ-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#CCC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001283283358 828511596 /nfs/dbraw/zinc/51/15/96/828511596.db2.gz IGNDNWQUGIWDOQ-RYUDHWBXSA-N 1 0 293.367 -0.063 20 30 CBEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001283270650 828511910 /nfs/dbraw/zinc/51/19/10/828511910.db2.gz DXMPPVZDAWTXNX-LLVKDONJSA-N 1 0 295.387 -0.049 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001283417268 828519086 /nfs/dbraw/zinc/51/90/86/828519086.db2.gz SJLFGDMDHDYONL-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)[NH2+]CC(N)=O ZINC001283442805 828519686 /nfs/dbraw/zinc/51/96/86/828519686.db2.gz USISGRDRYWBWGS-NXEZZACHSA-N 1 0 254.334 -0.248 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCCNC1=O ZINC001283472858 828520408 /nfs/dbraw/zinc/52/04/08/828520408.db2.gz LZZNQCMBBJBKBM-CYBMUJFWSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)c1nnc[nH]1 ZINC001283470492 828520632 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C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001283521471 828524052 /nfs/dbraw/zinc/52/40/52/828524052.db2.gz QZBZOZWFIZDESX-QWHCGFSZSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cccnc1 ZINC001283553903 828525137 /nfs/dbraw/zinc/52/51/37/828525137.db2.gz MSOGOTNOHXLOBU-GFCCVEGCSA-N 1 0 288.351 -0.119 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCO1 ZINC001283565684 828526254 /nfs/dbraw/zinc/52/62/54/828526254.db2.gz BNVFIZARTWMKTD-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cc(C)on1 ZINC001283566186 828526297 /nfs/dbraw/zinc/52/62/97/828526297.db2.gz GJOOFJHXGOTGJQ-SNVBAGLBSA-N 1 0 292.339 -0.217 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)COCC ZINC001283565796 828526537 /nfs/dbraw/zinc/52/65/37/828526537.db2.gz CGUSBCCUNAQCCZ-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001283572445 828526554 /nfs/dbraw/zinc/52/65/54/828526554.db2.gz PDYGKZBDUZHEEZ-RYUDHWBXSA-N 1 0 296.371 -0.368 20 30 CBEDRO C#CCOCCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001283607335 828528507 /nfs/dbraw/zinc/52/85/07/828528507.db2.gz ANMBSGFWNYMHSG-STQMWFEESA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001283618131 828529002 /nfs/dbraw/zinc/52/90/02/828529002.db2.gz QBIVOTXMYHTNIF-ZJUUUORDSA-N 1 0 280.328 -0.956 20 30 CBEDRO C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)[NH2+]CC(=O)NCC#N ZINC001283612063 828529338 /nfs/dbraw/zinc/52/93/38/828529338.db2.gz MWBDRURFAWKWHW-MJVIPROJSA-N 1 0 294.355 -0.901 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001283618130 828529525 /nfs/dbraw/zinc/52/95/25/828529525.db2.gz QBIVOTXMYHTNIF-UWVGGRQHSA-N 1 0 280.328 -0.956 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001283621957 828530277 /nfs/dbraw/zinc/53/02/77/828530277.db2.gz PNZMNLZUAJMRMF-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cccn2nnnc12 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257.334 -0.802 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001261435725 826512453 /nfs/dbraw/zinc/51/24/53/826512453.db2.gz CQKQYOHPSLUHBI-ZDUSSCGKSA-N 1 0 265.361 -0.241 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC001261435595 826512538 /nfs/dbraw/zinc/51/25/38/826512538.db2.gz ZHHIBGJCGNNGLE-GXSJLCMTSA-N 1 0 264.329 -0.337 20 30 CBEDRO CNC(=O)CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC001261493892 826525458 /nfs/dbraw/zinc/52/54/58/826525458.db2.gz WHNNIIRXPMMMKF-UHFFFAOYSA-N 1 0 258.285 -0.173 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H](C)COC ZINC001261633675 826549352 /nfs/dbraw/zinc/54/93/52/826549352.db2.gz MHKPEJVZLVSRAV-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC001261643404 826554337 /nfs/dbraw/zinc/55/43/37/826554337.db2.gz SIGASCVHLPTEQE-LBPRGKRZSA-N 1 0 284.381 -0.317 20 30 CBEDRO C=CCN(C(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[C@H](C)COC ZINC001261645604 826555547 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C=CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001261934628 826612344 /nfs/dbraw/zinc/61/23/44/826612344.db2.gz UPZOISZSABJWQI-OLZOCXBDSA-N 1 0 295.383 -0.142 20 30 CBEDRO Cn1cc(Cl)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC001262007953 826618386 /nfs/dbraw/zinc/61/83/86/826618386.db2.gz WWFLAWTZNQLGLY-XPUUQOCRSA-N 1 0 253.693 -0.085 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001262033483 826626198 /nfs/dbraw/zinc/62/61/98/826626198.db2.gz BPSXNSKQFSCZRK-VIFPVBQESA-N 1 0 257.359 -0.678 20 30 CBEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C2 ZINC001262074268 826632366 /nfs/dbraw/zinc/63/23/66/826632366.db2.gz OKEBPUJZSROJDN-KGLIPLIRSA-N 1 0 298.346 -0.299 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC001262077799 826634159 /nfs/dbraw/zinc/63/41/59/826634159.db2.gz PLXBLWKCVKTYFF-UHFFFAOYSA-N 1 0 281.356 -0.652 20 30 CBEDRO Cc1cc(NC(=O)C(=O)NCC#CC[NH+](C)C)no1 ZINC001262185051 826654196 /nfs/dbraw/zinc/65/41/96/826654196.db2.gz 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C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001267998213 827240217 /nfs/dbraw/zinc/24/02/17/827240217.db2.gz IQOSPKHSKMPHOF-QWRGUYRKSA-N 1 0 253.346 -0.137 20 30 CBEDRO C[C@H](CNC(=O)Cc1ccc[nH]1)C[NH2+]CC(=O)NCC#N ZINC001268014053 827240727 /nfs/dbraw/zinc/24/07/27/827240727.db2.gz KCJRNWPEOWQRPI-NSHDSACASA-N 1 0 291.355 -0.461 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001268005717 827240812 /nfs/dbraw/zinc/24/08/12/827240812.db2.gz XLBKFARFLAQDQL-LBPRGKRZSA-N 1 0 278.356 -0.056 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC)cn1 ZINC001268009965 827241169 /nfs/dbraw/zinc/24/11/69/827241169.db2.gz MIAGGLPPMYZWDK-LLVKDONJSA-N 1 0 288.351 -0.236 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ncccn1 ZINC001268007648 827241323 /nfs/dbraw/zinc/24/13/23/827241323.db2.gz FKRCHGFZMJERJU-NSHDSACASA-N 1 0 289.339 -0.819 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001268007059 827241394 /nfs/dbraw/zinc/24/13/94/827241394.db2.gz PXXKLMJLZYRVOB-NSHDSACASA-N 1 0 276.340 -0.148 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ncccn1 ZINC001268007647 827241412 /nfs/dbraw/zinc/24/14/12/827241412.db2.gz FKRCHGFZMJERJU-LLVKDONJSA-N 1 0 289.339 -0.819 20 30 CBEDRO C=CC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001268036752 827245195 /nfs/dbraw/zinc/24/51/95/827245195.db2.gz CIMOEQWHTCMYQD-JTQLQIEISA-N 1 0 266.345 -0.128 20 30 CBEDRO CC#CC[NH+]1CC2(C1)CCN(C(=O)CNC(=O)NC)CC2 ZINC001268045080 827246661 /nfs/dbraw/zinc/24/66/61/827246661.db2.gz PYQWBOTZFOXLCJ-UHFFFAOYSA-N 1 0 292.383 -0.137 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CCCO1 ZINC001268049660 827247440 /nfs/dbraw/zinc/24/74/40/827247440.db2.gz KKXUFVXVLLCLEI-GHMZBOCLSA-N 1 0 282.344 -0.758 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(=O)COC ZINC001268067733 827252534 /nfs/dbraw/zinc/25/25/34/827252534.db2.gz VNWLRKHRQAIRNO-LBPRGKRZSA-N 1 0 283.372 -0.449 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(N)=O ZINC001268086505 827254866 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C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001268308709 827291592 /nfs/dbraw/zinc/29/15/92/827291592.db2.gz PLMYTZQGSJPGQI-STQMWFEESA-N 1 0 297.399 -0.064 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268311974 827292941 /nfs/dbraw/zinc/29/29/41/827292941.db2.gz SJWYLUOIBSLQRK-LLVKDONJSA-N 1 0 292.339 -0.497 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c(c1)nnn2C ZINC001268313392 827294005 /nfs/dbraw/zinc/29/40/05/827294005.db2.gz CTNRJMKUILXMKT-LLVKDONJSA-N 1 0 289.339 -0.165 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)o1 ZINC001268314397 827294745 /nfs/dbraw/zinc/29/47/45/827294745.db2.gz ZJPHPSZUVLHCJZ-SECBINFHSA-N 1 0 279.296 -0.918 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001268316325 827295112 /nfs/dbraw/zinc/29/51/12/827295112.db2.gz JUVLAOWTCXXAEU-NSHDSACASA-N 1 0 281.360 -0.443 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)c(OC)co1 ZINC001268315535 827295249 /nfs/dbraw/zinc/29/52/49/827295249.db2.gz 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C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001268329655 827304460 /nfs/dbraw/zinc/30/44/60/827304460.db2.gz WXNJGVWABWQJDO-PWSUYJOCSA-N 1 0 266.345 -0.159 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001268329653 827305299 /nfs/dbraw/zinc/30/52/99/827305299.db2.gz WXNJGVWABWQJDO-JQWIXIFHSA-N 1 0 266.345 -0.159 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCOCC)cn1 ZINC001268330101 827305368 /nfs/dbraw/zinc/30/53/68/827305368.db2.gz CAZLEEGVCFAQFX-AWEZNQCLSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCCOC)nc1 ZINC001268331982 827305556 /nfs/dbraw/zinc/30/55/56/827305556.db2.gz WMPAVPNMNSGFCU-CYBMUJFWSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001268333798 827306266 /nfs/dbraw/zinc/30/62/66/827306266.db2.gz GUTSSMCCTPSRED-NEPJUHHUSA-N 1 0 293.371 -0.517 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)F ZINC001268336864 827309217 /nfs/dbraw/zinc/30/92/17/827309217.db2.gz 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20 30 CBEDRO N#Cc1cc(C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)c[nH]1 ZINC001268529868 827356397 /nfs/dbraw/zinc/35/63/97/827356397.db2.gz FKXUUOHMNFJNFZ-UDSFMNFJSA-N 1 0 287.323 -0.350 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001268667681 827397582 /nfs/dbraw/zinc/39/75/82/827397582.db2.gz RMBPIILUHURSPJ-SNVBAGLBSA-N 1 0 251.330 -0.370 20 30 CBEDRO COC[C@H](O)C[NH2+]C/C=C/CNC(=O)C#CC1CC1 ZINC001268536566 827358106 /nfs/dbraw/zinc/35/81/06/827358106.db2.gz LFAYGSYEBDNEMF-YWVDXFKGSA-N 1 0 266.341 -0.331 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H](O)C(C)C ZINC001268537625 827359085 /nfs/dbraw/zinc/35/90/85/827359085.db2.gz WQBJREAEIOWRKO-ZSBJFDRYSA-N 1 0 295.383 -0.597 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001268546860 827360798 /nfs/dbraw/zinc/36/07/98/827360798.db2.gz JYCQFTYXODOPAC-UHFFFAOYSA-N 1 0 251.330 -0.253 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001268562925 827364377 /nfs/dbraw/zinc/36/43/77/827364377.db2.gz ALFRUYGXNZXCRG-ARJAWSKDSA-N 1 0 278.312 -0.603 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCCN1CC ZINC001268557949 827365356 /nfs/dbraw/zinc/36/53/56/827365356.db2.gz GXFBDVLYBNNMHM-LMVHVUTASA-N 1 0 279.384 -0.008 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccn2nnnc2c1 ZINC001268572291 827366337 /nfs/dbraw/zinc/36/63/37/827366337.db2.gz KLDOGDBTWWHLPA-ONEGZZNKSA-N 1 0 270.296 -0.367 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001268567552 827367477 /nfs/dbraw/zinc/36/74/77/827367477.db2.gz ZVWOLEYINLOJPW-ITKZLYELSA-N 1 0 284.381 -0.294 20 30 CBEDRO C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268581433 827371531 /nfs/dbraw/zinc/37/15/31/827371531.db2.gz YOAZBBYAYZMQEF-ZWNMCFTASA-N 1 0 251.330 -0.087 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001268585612 827372906 /nfs/dbraw/zinc/37/29/06/827372906.db2.gz BJHVRPUKPAYYTL-GJBLVYBDSA-N 1 0 263.341 -0.060 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001268600111 827376124 /nfs/dbraw/zinc/37/61/24/827376124.db2.gz UOWHXBJGHICTHN-XUIVZRPNSA-N 1 0 287.385 -0.791 20 30 CBEDRO C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001268599753 827376155 /nfs/dbraw/zinc/37/61/55/827376155.db2.gz WKTVFAUPIOEIEV-LWTINBJPSA-N 1 0 280.328 -0.577 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001268603017 827377671 /nfs/dbraw/zinc/37/76/71/827377671.db2.gz PYIWGVGXVSUSKQ-MUBLQREKSA-N 1 0 284.381 -0.151 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)c1cn(C)c(=O)n1C ZINC001268630360 827382230 /nfs/dbraw/zinc/38/22/30/827382230.db2.gz JQXUNPIKWWMTHI-SREVYHEPSA-N 1 0 276.340 -0.377 20 30 CBEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001268634809 827384926 /nfs/dbraw/zinc/38/49/26/827384926.db2.gz YUXPEEALLNWOLS-UFFNRZRYSA-N 1 0 279.340 -0.123 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(C)=O ZINC001268635611 827385302 /nfs/dbraw/zinc/38/53/02/827385302.db2.gz DQSJHAPRXVFRFG-MRVPVSSYSA-N 1 0 256.306 -0.888 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCC1CC1 ZINC001268641030 827389216 /nfs/dbraw/zinc/38/92/16/827389216.db2.gz ZEWRVGKWLUKPNS-SNVBAGLBSA-N 1 0 266.345 -0.089 20 30 CBEDRO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C#N ZINC001268640189 827389630 /nfs/dbraw/zinc/38/96/30/827389630.db2.gz SJLZEWSOTYOMOL-NXEZZACHSA-N 1 0 254.334 -0.281 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001268653994 827393438 /nfs/dbraw/zinc/39/34/38/827393438.db2.gz VHTAYFLBNQATAU-SNVBAGLBSA-N 1 0 272.312 -0.145 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001268655915 827394084 /nfs/dbraw/zinc/39/40/84/827394084.db2.gz JRUCJMZUMJUBLS-LLVKDONJSA-N 1 0 279.344 -0.911 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)Cc1cnoc1 ZINC001268658852 827395230 /nfs/dbraw/zinc/39/52/30/827395230.db2.gz OQLYLSCGMIIVMI-LLVKDONJSA-N 1 0 265.313 -0.039 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1C=C ZINC001268662065 827396620 /nfs/dbraw/zinc/39/66/20/827396620.db2.gz VQUPMSLVLMZQDE-UPJWGTAASA-N 1 0 293.367 -0.579 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cn(CC)cn1 ZINC001268670253 827397717 /nfs/dbraw/zinc/39/77/17/827397717.db2.gz VTBKVDZCGKZLFQ-LLVKDONJSA-N 1 0 293.371 -0.087 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1cnn(CCOC)c1 ZINC001268670500 827398478 /nfs/dbraw/zinc/39/84/78/827398478.db2.gz CZDRJIPCLIVJKA-LLVKDONJSA-N 1 0 264.329 -0.129 20 30 CBEDRO COc1ccc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)o1 ZINC001268667220 827398692 /nfs/dbraw/zinc/39/86/92/827398692.db2.gz PZWPTMNUKLYHMA-SECBINFHSA-N 1 0 294.311 -0.364 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccncc1 ZINC001268677132 827399323 /nfs/dbraw/zinc/39/93/23/827399323.db2.gz PSUGHKSAAKEISU-NSHDSACASA-N 1 0 274.324 -0.461 20 30 CBEDRO CCn1cccc1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268675134 827400230 /nfs/dbraw/zinc/40/02/30/827400230.db2.gz XJFCSSKHSWIXKO-LLVKDONJSA-N 1 0 291.355 -0.144 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cn[nH]c1 ZINC001268678655 827401162 /nfs/dbraw/zinc/40/11/62/827401162.db2.gz LZSDBUOFPFYFJM-VHSXEESVSA-N 1 0 279.344 -0.192 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnns1 ZINC001268678705 827401342 /nfs/dbraw/zinc/40/13/42/827401342.db2.gz NQONBWFZHWSVTD-QMMMGPOBSA-N 1 0 283.357 -0.452 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001268686398 827403456 /nfs/dbraw/zinc/40/34/56/827403456.db2.gz ACPLHCHKIHSLHD-MJVIPROJSA-N 1 0 281.356 -0.581 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C#CC1CC1 ZINC001268686211 827403951 /nfs/dbraw/zinc/40/39/51/827403951.db2.gz UEJWEKKPSMUIQD-JTQLQIEISA-N 1 0 262.313 -0.866 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC1(F)F ZINC001268691611 827404570 /nfs/dbraw/zinc/40/45/70/827404570.db2.gz FXXJKWONHFMQLY-UWVGGRQHSA-N 1 0 287.310 -0.125 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)C(=O)NCC(F)F ZINC001268693430 827405036 /nfs/dbraw/zinc/40/50/36/827405036.db2.gz BMVXOSFNRTXHCB-VIFPVBQESA-N 1 0 291.298 -0.888 20 30 CBEDRO 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CC[C@@H](OC)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001272381527 827788859 /nfs/dbraw/zinc/78/88/59/827788859.db2.gz STEHGCFAJSVSOK-VXGBXAGGSA-N 1 0 272.345 -0.872 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001272378239 827788998 /nfs/dbraw/zinc/78/89/98/827788998.db2.gz ADKDMTLGRXPYLY-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccoc1 ZINC001272389166 827790347 /nfs/dbraw/zinc/79/03/47/827790347.db2.gz KUTIRECBBJNVDW-LBPRGKRZSA-N 1 0 250.298 -0.088 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001272388098 827790368 /nfs/dbraw/zinc/79/03/68/827790368.db2.gz AQDDFAMHNVPGHV-OLZOCXBDSA-N 1 0 285.388 -0.650 20 30 CBEDRO COCCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001272398936 827791864 /nfs/dbraw/zinc/79/18/64/827791864.db2.gz UDYJYTBCAOMPSG-NSHDSACASA-N 1 0 280.328 -0.397 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1=CCCC1 ZINC001272399218 827792211 /nfs/dbraw/zinc/79/22/11/827792211.db2.gz WPFRMBARKLQTPK-ZDUSSCGKSA-N 1 0 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C[C@H](CN(C)C(=O)C#CC1CC1)[NH2+]CCS(C)(=O)=O ZINC001277819005 828210720 /nfs/dbraw/zinc/21/07/20/828210720.db2.gz GMNQAPSQUCSNCP-LLVKDONJSA-N 1 0 286.397 -0.119 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001277819029 828210769 /nfs/dbraw/zinc/21/07/69/828210769.db2.gz GUIZBPCNOSLBLY-VHSXEESVSA-N 1 0 254.334 -0.497 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)OC ZINC001277814434 828210954 /nfs/dbraw/zinc/21/09/54/828210954.db2.gz OGLHAXMIFKJDOI-GFCCVEGCSA-N 1 0 297.355 -0.427 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)NC ZINC001277846122 828213315 /nfs/dbraw/zinc/21/33/15/828213315.db2.gz QKSYZIDAJNUFPU-NSHDSACASA-N 1 0 266.345 -0.481 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001277861902 828213784 /nfs/dbraw/zinc/21/37/84/828213784.db2.gz FWAFUPRRXUZFKK-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001277852468 828214412 /nfs/dbraw/zinc/21/44/12/828214412.db2.gz XRKJPPVFIHLAKG-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(=O)NCC(F)F ZINC001277873478 828215665 /nfs/dbraw/zinc/21/56/65/828215665.db2.gz YKFYPRFYBRGYEB-VIFPVBQESA-N 1 0 275.299 -0.173 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001277873721 828215844 /nfs/dbraw/zinc/21/58/44/828215844.db2.gz IVYOIKKWJGJUCU-MNOVXSKESA-N 1 0 292.339 -0.812 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(COC)CC1 ZINC001277887948 828216800 /nfs/dbraw/zinc/21/68/00/828216800.db2.gz UTJCWTICTXZYIU-GFCCVEGCSA-N 1 0 295.383 -0.401 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277908091 828217221 /nfs/dbraw/zinc/21/72/21/828217221.db2.gz RAOWBRNYDFFVBW-NEPJUHHUSA-N 1 0 296.371 -0.904 20 30 CBEDRO CC[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277917179 828218907 /nfs/dbraw/zinc/21/89/07/828218907.db2.gz QOTGRJXIOILIAD-GHMZBOCLSA-N 1 0 284.335 -0.045 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001277917790 828219480 /nfs/dbraw/zinc/21/94/80/828219480.db2.gz WGDYEDNSMRTMLF-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1ccnnc1 ZINC001277945437 828221120 /nfs/dbraw/zinc/22/11/20/828221120.db2.gz AKTZPZUGVFAGSO-NSHDSACASA-N 1 0 289.339 -0.724 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(C)CCNC1=O ZINC001277942392 828221348 /nfs/dbraw/zinc/22/13/48/828221348.db2.gz YXCFGQLWPWZVPM-SMDDNHRTSA-N 1 0 263.341 -0.274 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001277996132 828227503 /nfs/dbraw/zinc/22/75/03/828227503.db2.gz ZPVRFVHRAOROFQ-MNOVXSKESA-N 1 0 296.371 -0.996 20 30 CBEDRO Cc1conc1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001277987672 828228083 /nfs/dbraw/zinc/22/80/83/828228083.db2.gz JDGSXLVJZOWCIV-JTQLQIEISA-N 1 0 293.327 -0.327 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC1 ZINC001278033515 828233096 /nfs/dbraw/zinc/23/30/96/828233096.db2.gz HTPYZBTXUREJFW-KOLCDFICSA-N 1 0 269.345 -0.846 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001278033922 828234736 /nfs/dbraw/zinc/23/47/36/828234736.db2.gz LAPDMNJJXCYHAW-SNVBAGLBSA-N 1 0 274.324 -0.136 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cc(CC)n[nH]1 ZINC001278047337 828236681 /nfs/dbraw/zinc/23/66/81/828236681.db2.gz CKPQYVBXXULBSF-JTQLQIEISA-N 1 0 252.318 -0.162 20 30 CBEDRO C#CC[NH+]1CCC(C)(NC(=O)CN2CCOCC2)CC1 ZINC001278045115 828236734 /nfs/dbraw/zinc/23/67/34/828236734.db2.gz BIHVKJMUZYGBGD-UHFFFAOYSA-N 1 0 279.384 -0.078 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1C ZINC001278048958 828238295 /nfs/dbraw/zinc/23/82/95/828238295.db2.gz UXRBNGWKRUJIEW-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001278053828 828239292 /nfs/dbraw/zinc/23/92/92/828239292.db2.gz KVDDAHOIUIWQPX-NWDGAFQWSA-N 1 0 254.330 -0.497 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCOC1 ZINC001278053830 828239864 /nfs/dbraw/zinc/23/98/64/828239864.db2.gz KVDDAHOIUIWQPX-VXGBXAGGSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cccc(=O)[nH]1 ZINC001278061370 828240019 /nfs/dbraw/zinc/24/00/19/828240019.db2.gz KWQPYFPZVZFIFZ-VIFPVBQESA-N 1 0 251.286 -0.347 20 30 CBEDRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)C#N)n1 ZINC001278053909 828240055 /nfs/dbraw/zinc/24/00/55/828240055.db2.gz LVIOEOZWFLTULO-MWLCHTKSSA-N 1 0 295.343 -0.463 20 30 CBEDRO N#Cc1c[nH]c(C(=O)NC[C@@H](CO)[NH2+]CCCF)c1 ZINC001278062258 828240691 /nfs/dbraw/zinc/24/06/91/828240691.db2.gz RLPCYHIUCILIHT-JTQLQIEISA-N 1 0 268.292 -0.074 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ncccc1O ZINC001278070011 828240881 /nfs/dbraw/zinc/24/08/81/828240881.db2.gz FXYRIPWCDWHBNE-JTQLQIEISA-N 1 0 263.297 -0.509 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCOC1 ZINC001278062009 828241177 /nfs/dbraw/zinc/24/11/77/828241177.db2.gz PHBNEMUPDPPINE-STQMWFEESA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C1CC(OCC)C1 ZINC001278070294 828241259 /nfs/dbraw/zinc/24/12/59/828241259.db2.gz HJYSRYKYIUCULY-MOENNCHZSA-N 1 0 254.330 -0.499 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cncc(C)c1 ZINC001278062228 828241273 /nfs/dbraw/zinc/24/12/73/828241273.db2.gz RLDJIGQDUBOYFG-AWEZNQCLSA-N 1 0 291.351 -0.280 20 30 CBEDRO C[C@H](O)CCC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001278071248 828241367 /nfs/dbraw/zinc/24/13/67/828241367.db2.gz MWZRPFMFACZIPX-GXFFZTMASA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC001278070929 828241470 /nfs/dbraw/zinc/24/14/70/828241470.db2.gz LHFGNRYZLGLDLI-LBPRGKRZSA-N 1 0 278.356 -0.210 20 30 CBEDRO C#CCCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCN(C)C1=O ZINC001278070550 828241574 /nfs/dbraw/zinc/24/15/74/828241574.db2.gz JIGNJWCMYWIKTP-OLZOCXBDSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001278072945 828242096 /nfs/dbraw/zinc/24/20/96/828242096.db2.gz WQSQRZKMAFWLFM-TZMCWYRMSA-N 1 0 268.357 -0.373 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001278077909 828242198 /nfs/dbraw/zinc/24/21/98/828242198.db2.gz PKKWUTSLMPDEJZ-GFCCVEGCSA-N 1 0 279.344 -0.996 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001278093582 828244869 /nfs/dbraw/zinc/24/48/69/828244869.db2.gz NNQNJLWNKHLIOK-LBPRGKRZSA-N 1 0 291.355 -0.755 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CCc1ccncn1 ZINC001278093389 828245519 /nfs/dbraw/zinc/24/55/19/828245519.db2.gz JIUBFTFGEILLNW-CYBMUJFWSA-N 1 0 276.340 -0.501 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001278094058 828245590 /nfs/dbraw/zinc/24/55/90/828245590.db2.gz SBBCQVPPWRHSAQ-ZDUSSCGKSA-N 1 0 278.356 -0.639 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001278093581 828245757 /nfs/dbraw/zinc/24/57/57/828245757.db2.gz NNQNJLWNKHLIOK-GFCCVEGCSA-N 1 0 291.355 -0.755 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001278093453 828245772 /nfs/dbraw/zinc/24/57/72/828245772.db2.gz KVLLRDPMFPWEHM-JTQLQIEISA-N 1 0 264.329 -0.304 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1(C2CC2)CC1 ZINC001278099452 828247917 /nfs/dbraw/zinc/24/79/17/828247917.db2.gz LCJJMPANYHYKSS-ZDUSSCGKSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCNC1=O ZINC001278099829 828247984 /nfs/dbraw/zinc/24/79/84/828247984.db2.gz PXRAZKMAPRDKNQ-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccc2ncn(C)c21 ZINC001278105952 828248249 /nfs/dbraw/zinc/24/82/49/828248249.db2.gz QENDDHWEEWEUFW-NSHDSACASA-N 1 0 286.335 -0.113 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001278137093 828251619 /nfs/dbraw/zinc/25/16/19/828251619.db2.gz CKWKEQGTIGINHX-QMMMGPOBSA-N 1 0 291.311 -0.470 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C)nn1CC ZINC001278155139 828252268 /nfs/dbraw/zinc/25/22/68/828252268.db2.gz NDUHTSJUNNHUJT-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001278148151 828252625 /nfs/dbraw/zinc/25/26/25/828252625.db2.gz QWLHYLYKJUDLJH-NEPJUHHUSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001278148387 828252884 /nfs/dbraw/zinc/25/28/84/828252884.db2.gz UCWRCRIXHTZONE-LLVKDONJSA-N 1 0 269.345 -0.715 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1nonc1C ZINC001278178611 828255145 /nfs/dbraw/zinc/25/51/45/828255145.db2.gz JPYSRRPMQMLVQE-VIFPVBQESA-N 1 0 254.290 -0.827 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1C(F)F ZINC001278178902 828255224 /nfs/dbraw/zinc/25/52/24/828255224.db2.gz MEPOJXJGDOBIGQ-QMMMGPOBSA-N 1 0 286.282 -0.329 20 30 CBEDRO CCn1cnc(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)c1 ZINC001278178580 828255279 /nfs/dbraw/zinc/25/52/79/828255279.db2.gz JAZVSTUYGWFDHD-GFCCVEGCSA-N 1 0 294.355 -0.767 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001278178409 828255379 /nfs/dbraw/zinc/25/53/79/828255379.db2.gz GBJFAHOCJGTDOF-SNVBAGLBSA-N 1 0 280.328 -0.630 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(CC)c1C ZINC001278172728 828255785 /nfs/dbraw/zinc/25/57/85/828255785.db2.gz YCCPLSQTVZOGLI-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001278178905 828255979 /nfs/dbraw/zinc/25/59/79/828255979.db2.gz MGBCNYODBQIPAW-WCQYABFASA-N 1 0 280.372 -0.149 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001278187008 828256276 /nfs/dbraw/zinc/25/62/76/828256276.db2.gz MBPVTPFJMYGEDN-ZIAGYGMSSA-N 1 0 287.363 -0.114 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001278180099 828256624 /nfs/dbraw/zinc/25/66/24/828256624.db2.gz YIGUHVDZWDYOOY-HIFRSBDPSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCCC2 ZINC001278179424 828256639 /nfs/dbraw/zinc/25/66/39/828256639.db2.gz QTMBNKVKKDFDPP-NSHDSACASA-N 1 0 276.340 -0.467 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(NC(N)=O)cc1 ZINC001278194295 828257501 /nfs/dbraw/zinc/25/75/01/828257501.db2.gz IHACZABQWFWEAN-GFCCVEGCSA-N 1 0 290.323 -0.509 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001278201276 828257684 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CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001278214727 828259267 /nfs/dbraw/zinc/25/92/67/828259267.db2.gz ZHAJUKADTJNOLX-GHMZBOCLSA-N 1 0 282.344 -0.758 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(C)=O)[C@H]1C ZINC001278212395 828259352 /nfs/dbraw/zinc/25/93/52/828259352.db2.gz ITIWIBYNCYLNQR-GXSJLCMTSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001278202922 828259476 /nfs/dbraw/zinc/25/94/76/828259476.db2.gz WYGBSEOTPLYEAY-QQOHENMQSA-N 1 0 262.353 -0.022 20 30 CBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CSCC#N ZINC001278221604 828259483 /nfs/dbraw/zinc/25/94/83/828259483.db2.gz RJOCPEYTLIDNGC-GHMZBOCLSA-N 1 0 298.412 -0.090 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001278202675 828259755 /nfs/dbraw/zinc/25/97/55/828259755.db2.gz TVVIWADGWPUPAR-HUUCEWRRSA-N 1 0 289.379 -0.011 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1nn(CC)nc1C ZINC001278211286 828259841 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C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001278789847 828289087 /nfs/dbraw/zinc/28/90/87/828289087.db2.gz AVEKIPKQVTVSFA-NXEZZACHSA-N 1 0 289.763 -0.716 20 30 CBEDRO C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COCCN2CC)C1 ZINC001278787970 828289103 /nfs/dbraw/zinc/28/91/03/828289103.db2.gz YLGLFBIOFLOPRJ-UKRRQHHQSA-N 1 0 297.399 -0.554 20 30 CBEDRO C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001278799431 828290507 /nfs/dbraw/zinc/29/05/07/828290507.db2.gz BAUIWUZCWKBVHX-RISCZKNCSA-N 1 0 281.356 -0.654 20 30 CBEDRO C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)C1 ZINC001278803544 828291089 /nfs/dbraw/zinc/29/10/89/828291089.db2.gz AQCXNZAEVWUYNH-NSHDSACASA-N 1 0 283.372 -0.502 20 30 CBEDRO C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001278811389 828291364 /nfs/dbraw/zinc/29/13/64/828291364.db2.gz SXYHKUXJPLONAG-SWLSCSKDSA-N 1 0 295.383 -0.216 20 30 CBEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001278828695 828293025 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C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc(Cl)cn1 ZINC001278839201 828295658 /nfs/dbraw/zinc/29/56/58/828295658.db2.gz OGTCGDPESBANKQ-LBPRGKRZSA-N 1 0 298.774 -0.031 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cocn1 ZINC001278849292 828296550 /nfs/dbraw/zinc/29/65/50/828296550.db2.gz BAMQQGHKOCSQQF-JTQLQIEISA-N 1 0 251.286 -0.328 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001278844891 828297325 /nfs/dbraw/zinc/29/73/25/828297325.db2.gz OJHQRUNIDIYJSF-CHWSQXEVSA-N 1 0 286.372 -0.271 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC1 ZINC001278845357 828297494 /nfs/dbraw/zinc/29/74/94/828297494.db2.gz XNDGBVWNDFPBJI-CYBMUJFWSA-N 1 0 268.357 -0.203 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001278844893 828297506 /nfs/dbraw/zinc/29/75/06/828297506.db2.gz OJHQRUNIDIYJSF-QWHCGFSZSA-N 1 0 286.372 -0.271 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001278882979 828303072 /nfs/dbraw/zinc/30/30/72/828303072.db2.gz 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C=C1CC(C)(C(=O)NC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001331786973 886981041 /nfs/dbraw/zinc/98/10/41/886981041.db2.gz FLLWHGMXHZUFGF-VXGBXAGGSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001331791965 886985741 /nfs/dbraw/zinc/98/57/41/886985741.db2.gz XUIBNBTYFFQMHX-CHWSQXEVSA-N 1 0 278.356 -0.076 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl)nn1 ZINC001331804315 886987326 /nfs/dbraw/zinc/98/73/26/886987326.db2.gz MDUZKBDBHXBOMU-UMBAGQNISA-N 1 0 299.762 -0.103 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl)nn1 ZINC001331804305 886987505 /nfs/dbraw/zinc/98/75/05/886987505.db2.gz MDUZKBDBHXBOMU-FSIBCCDJSA-N 1 0 299.762 -0.103 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1nnn(C(C)C)c1C ZINC001331803160 886989343 /nfs/dbraw/zinc/98/93/43/886989343.db2.gz BYZFBICUXKDRNN-LBPRGKRZSA-N 1 0 293.371 -0.129 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)NC(C)=O ZINC001331806444 886990832 /nfs/dbraw/zinc/99/08/32/886990832.db2.gz 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C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001331937048 887052833 /nfs/dbraw/zinc/05/28/33/887052833.db2.gz FHZGAEWTZOCGEB-NWDGAFQWSA-N 1 0 288.351 -0.004 20 30 CBEDRO C=CCSCCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001331948733 887058555 /nfs/dbraw/zinc/05/85/55/887058555.db2.gz NGSCFWLRWJYDGW-VIFPVBQESA-N 1 0 259.375 -0.125 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001331953132 887058798 /nfs/dbraw/zinc/05/87/98/887058798.db2.gz FPNBRTSZCGXNJT-YPMHNXCESA-N 1 0 283.372 -0.096 20 30 CBEDRO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1ccon1 ZINC001331959112 887065783 /nfs/dbraw/zinc/06/57/83/887065783.db2.gz OQMQSPNHQFTTGT-VHSXEESVSA-N 1 0 291.311 -0.493 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)COCCOC)C1 ZINC001331970294 887070278 /nfs/dbraw/zinc/07/02/78/887070278.db2.gz MQHKITOVGHOHKD-KBPBESRZSA-N 1 0 298.383 -0.122 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001331969665 887072271 /nfs/dbraw/zinc/07/22/71/887072271.db2.gz CTECGFRYSMVCLA-NSHDSACASA-N 1 0 272.370 -0.460 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001332051743 887094961 /nfs/dbraw/zinc/09/49/61/887094961.db2.gz ZQMLFFGABCZWEV-GHMZBOCLSA-N 1 0 287.385 -0.910 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001332063100 887097745 /nfs/dbraw/zinc/09/77/45/887097745.db2.gz DRTDIEPSNFPEDU-CHWSQXEVSA-N 1 0 295.383 -0.129 20 30 CBEDRO C#CCNC(=O)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001332107866 887114427 /nfs/dbraw/zinc/11/44/27/887114427.db2.gz YEGOLJRRFCPLMF-UHFFFAOYSA-N 1 0 274.324 -0.060 20 30 CBEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C#N)CC1 ZINC001332115381 887116471 /nfs/dbraw/zinc/11/64/71/887116471.db2.gz CSPDAIJISCFINW-MWLCHTKSSA-N 1 0 264.329 -0.303 20 30 CBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)CCNC(N)=O)CCC[C@@H]12 ZINC001332118257 887118840 /nfs/dbraw/zinc/11/88/40/887118840.db2.gz NQQGZQVORKONRP-BXUZGUMPSA-N 1 0 278.356 -0.209 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)OC)[C@@H]1C 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NC(=O)COC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001347157032 890418927 /nfs/dbraw/zinc/41/89/27/890418927.db2.gz GRTGCIZDOSGKNJ-UHFFFAOYSA-N 1 0 293.367 -0.518 20 30 CBEDRO C=CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H](C)COC ZINC001347166306 890421676 /nfs/dbraw/zinc/42/16/76/890421676.db2.gz BSLUQJLLBBYWPE-JTQLQIEISA-N 1 0 257.334 -0.547 20 30 CBEDRO C=CCN(C(=O)C(=O)N(C)CCC[NH3+])[C@H](C)COC ZINC001347167922 890423824 /nfs/dbraw/zinc/42/38/24/890423824.db2.gz RYLAJTAUZZTGAH-LLVKDONJSA-N 1 0 271.361 -0.157 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001347226378 890431995 /nfs/dbraw/zinc/43/19/95/890431995.db2.gz DGGSHSNSCUEMMW-SNVBAGLBSA-N 1 0 260.301 -0.640 20 30 CBEDRO C#CC[C@H](COC)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347363194 890454962 /nfs/dbraw/zinc/45/49/62/890454962.db2.gz SZEBZLMSJPYIAN-YNEHKIRRSA-N 1 0 265.357 -0.471 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC001347533613 890477954 /nfs/dbraw/zinc/47/79/54/890477954.db2.gz DPEBYRSVNSYYEK-GFCCVEGCSA-N 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CCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)C(=O)NC(N)=O ZINC001420578570 907222680 /nfs/dbraw/zinc/22/26/80/907222680.db2.gz NVNCIYDNLGUNDV-ZJUUUORDSA-N 1 0 297.359 -0.442 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC)CCO1 ZINC001502031885 921319811 /nfs/dbraw/zinc/31/98/11/921319811.db2.gz LHVTZXFBRPVHSC-NSHDSACASA-N 1 0 269.345 -0.484 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC)CCO1 ZINC001502031884 921320922 /nfs/dbraw/zinc/32/09/22/921320922.db2.gz LHVTZXFBRPVHSC-LLVKDONJSA-N 1 0 269.345 -0.484 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)nc2C)CCO1 ZINC001502044030 921324555 /nfs/dbraw/zinc/32/45/55/921324555.db2.gz RPESTZPAHFLPCD-GFCCVEGCSA-N 1 0 276.340 -0.208 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001502041097 921325676 /nfs/dbraw/zinc/32/56/76/921325676.db2.gz JNYHIAXHEGFDIP-LBPRGKRZSA-N 1 0 281.356 -0.484 20 30 CBEDRO C#CCCCC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001502050500 921328117 /nfs/dbraw/zinc/32/81/17/921328117.db2.gz AOYFLEYRJIPBNY-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2(F)CCOCC2)CCO1 ZINC001502058804 921330484 /nfs/dbraw/zinc/33/04/84/921330484.db2.gz ZFYSCZNJTBKBBZ-LBPRGKRZSA-N 1 0 284.331 -0.045 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)CCO1 ZINC001502066692 921331943 /nfs/dbraw/zinc/33/19/43/921331943.db2.gz LMPUPBPAEFWODR-QWHCGFSZSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(=O)n2C)CCO1 ZINC001502076476 921332058 /nfs/dbraw/zinc/33/20/58/921332058.db2.gz BNXRSLVKHQYKHX-GFCCVEGCSA-N 1 0 289.335 -0.551 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCO1 ZINC001502069131 921332353 /nfs/dbraw/zinc/33/23/53/921332353.db2.gz QAOBFQQDPQJNNT-JHJVBQTASA-N 1 0 293.367 -0.791 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001502069246 921332881 /nfs/dbraw/zinc/33/28/81/921332881.db2.gz SPUKNRRKEVEVRR-JTQLQIEISA-N 1 0 280.332 -0.783 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CCO1 ZINC001502074387 921333764 /nfs/dbraw/zinc/33/37/64/921333764.db2.gz GSLSVIMTGRKGAA-SNVBAGLBSA-N 1 0 280.328 -0.258 20 30 CBEDRO C[C@@H]([NH2+]C1CCN(CCNC(=O)[C@@H](C)C#N)CC1)C(N)=O ZINC001421575723 907584458 /nfs/dbraw/zinc/58/44/58/907584458.db2.gz GJVOEIIZYDAIMF-WDEREUQCSA-N 1 0 295.387 -0.810 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CCS(C)(=O)=O)CCC1 ZINC001421738086 907629231 /nfs/dbraw/zinc/62/92/31/907629231.db2.gz RINSHRJQCNNCFD-JTQLQIEISA-N 1 0 287.385 -0.181 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001421788744 907644901 /nfs/dbraw/zinc/64/49/01/907644901.db2.gz FWHQHBQYIOXVEK-SNVBAGLBSA-N 1 0 299.762 -0.002 20 30 CBEDRO C=CC[N@@H+](C)CCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001502351626 921347150 /nfs/dbraw/zinc/34/71/50/921347150.db2.gz CNSINNZPXMFNFO-UHFFFAOYSA-N 1 0 294.355 -0.085 20 30 CBEDRO CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001422261407 907761431 /nfs/dbraw/zinc/76/14/31/907761431.db2.gz BFIVWIWWGXTALK-KOLCDFICSA-N 1 0 294.359 -0.667 20 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KHZITUKDGLAGEZ-AWEZNQCLSA-N 1 0 283.372 -0.358 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001502553299 921364941 /nfs/dbraw/zinc/36/49/41/921364941.db2.gz WBQXWSDOQBEVIR-OAHLLOKOSA-N 1 0 289.335 -0.490 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)([NH2+]CC#CC)C1 ZINC001502568450 921366649 /nfs/dbraw/zinc/36/66/49/921366649.db2.gz TTYSIURGVIYAFY-GOEBONIOSA-N 1 0 292.379 -0.009 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001422639094 907963542 /nfs/dbraw/zinc/96/35/42/907963542.db2.gz XRBOHIOFVANAKM-ONGXEEELSA-N 1 0 289.339 -0.175 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCC[C@](CO)([NH2+]CC#CC)C1 ZINC001502568452 921367460 /nfs/dbraw/zinc/36/74/60/921367460.db2.gz TTYSIURGVIYAFY-ZBFHGGJFSA-N 1 0 292.379 -0.009 20 30 CBEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001502573049 921367754 /nfs/dbraw/zinc/36/77/54/921367754.db2.gz GXUKGGXYNPBKAV-CQSZACIVSA-N 1 0 292.339 -0.075 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C2(COC)CC2)C1 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C[C@@H](NC(=O)C(C)(C)F)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505544233 921438556 /nfs/dbraw/zinc/43/85/56/921438556.db2.gz JELORXWHKMACNN-DTWKUNHWSA-N 1 0 272.324 -0.143 20 30 CBEDRO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001425995659 908802124 /nfs/dbraw/zinc/80/21/24/908802124.db2.gz GJXNJSHSYYWQAE-KOLCDFICSA-N 1 0 280.328 -0.710 20 30 CBEDRO C[C@@H](NC(=O)CSCC#N)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505562575 921440796 /nfs/dbraw/zinc/44/07/96/921440796.db2.gz RILNDYKJHBCALI-VHSXEESVSA-N 1 0 297.384 -0.634 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn[nH]1 ZINC001505561599 921441205 /nfs/dbraw/zinc/44/12/05/921441205.db2.gz MGCZUWNIEUZOOM-ZJUUUORDSA-N 1 0 277.328 -0.745 20 30 CBEDRO C[C@@H](NC(=O)Cc1cc[nH]n1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001505577622 921443306 /nfs/dbraw/zinc/44/33/06/921443306.db2.gz KYFIOEAISSKFQB-NXEZZACHSA-N 1 0 292.343 -0.925 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001505603111 921453338 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C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cncn1C ZINC001505643793 921458979 /nfs/dbraw/zinc/45/89/79/921458979.db2.gz BYTNWVVGQGYOEL-QWRGUYRKSA-N 1 0 291.355 -0.734 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1n[nH]cc1F ZINC001505686795 921467504 /nfs/dbraw/zinc/46/75/04/921467504.db2.gz VBMQWLCMTAVLCB-BDAKNGLRSA-N 1 0 295.318 -0.605 20 30 CBEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001505715900 921470172 /nfs/dbraw/zinc/47/01/72/921470172.db2.gz ADSNOJVOVAZGTC-UWVGGRQHSA-N 1 0 252.322 -0.268 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001505747592 921476259 /nfs/dbraw/zinc/47/62/59/921476259.db2.gz ZLRPPLXLKOYLEZ-ZJUUUORDSA-N 1 0 262.313 -0.490 20 30 CBEDRO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)C#N ZINC001505801269 921480453 /nfs/dbraw/zinc/48/04/53/921480453.db2.gz CNIAPDOTDLIEPK-JTQLQIEISA-N 1 0 268.361 -0.034 20 30 CBEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001505919049 921500350 /nfs/dbraw/zinc/50/03/50/921500350.db2.gz XJJFYWCLCXYXQF-SNVBAGLBSA-N 1 0 277.390 -0.452 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001432340934 909611242 /nfs/dbraw/zinc/61/12/42/909611242.db2.gz PEFCNUCKGRBSJM-SNVBAGLBSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001432476742 909630283 /nfs/dbraw/zinc/63/02/83/909630283.db2.gz OAYZVPRKSOSHRW-ZYHUDNBSSA-N 1 0 278.356 -0.328 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001507495071 921853139 /nfs/dbraw/zinc/85/31/39/921853139.db2.gz HLQQUXJRYQCARE-RYUDHWBXSA-N 1 0 297.399 -0.421 20 30 CBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)CCNC(N)=O ZINC001506054557 921531180 /nfs/dbraw/zinc/53/11/80/921531180.db2.gz OXJAWWDGHPHJOW-SNVBAGLBSA-N 1 0 254.334 -0.495 20 30 CBEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001506060702 921535335 /nfs/dbraw/zinc/53/53/35/921535335.db2.gz HQRRVXPYMRXOQT-LLVKDONJSA-N 1 0 291.417 -0.062 20 30 CBEDRO C[C@H]1CC[N@H+](CC(=O)NC2(CCO)CN(CC#N)C2)C1 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C#CC[NH2+][C@@H](C)CN(C)C(=O)Cc1nc2ncccn2n1 ZINC001507153016 921692633 /nfs/dbraw/zinc/69/26/33/921692633.db2.gz GPBYFYGPKBSDLL-NSHDSACASA-N 1 0 286.339 -0.264 20 30 CBEDRO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@H]1CCN(C)C1=O ZINC001441792537 911806669 /nfs/dbraw/zinc/80/66/69/911806669.db2.gz ANWNAPKBWHIJJL-SKDRFNHKSA-N 1 0 289.339 -0.175 20 30 CBEDRO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001441916879 911855329 /nfs/dbraw/zinc/85/53/29/911855329.db2.gz CICNHBFGVPFKFV-BDAKNGLRSA-N 1 0 295.343 -0.832 20 30 CBEDRO COCC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC001507164837 921696519 /nfs/dbraw/zinc/69/65/19/921696519.db2.gz BPCSAWMTDDVWHZ-CQSZACIVSA-N 1 0 294.326 -0.110 20 30 CBEDRO COCC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001507169424 921702954 /nfs/dbraw/zinc/70/29/54/921702954.db2.gz UOYYIUCTVWKRCY-ZDUSSCGKSA-N 1 0 277.324 -0.229 20 30 CBEDRO COCC[N@H+](CCNC(=O)c1c[nH]c(C#N)c1)C[C@@H](C)O ZINC001442181601 911948060 /nfs/dbraw/zinc/94/80/60/911948060.db2.gz 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C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001443351573 912187380 /nfs/dbraw/zinc/18/73/80/912187380.db2.gz AFHWOHXIMUHVLF-BDAKNGLRSA-N 1 0 250.302 -0.788 20 30 CBEDRO C[C@@H](O)CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001507186692 921726209 /nfs/dbraw/zinc/72/62/09/921726209.db2.gz YQXZZXCEMAACFD-ZYHUDNBSSA-N 1 0 294.355 -0.272 20 30 CBEDRO CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC(C)C)C1=O ZINC001507191684 921730025 /nfs/dbraw/zinc/73/00/25/921730025.db2.gz VGSMYVYKXBXBMB-OLZOCXBDSA-N 1 0 295.383 -0.667 20 30 CBEDRO CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)(C)C ZINC001507194528 921732343 /nfs/dbraw/zinc/73/23/43/921732343.db2.gz OTVDTCFWRVNTOM-GFCCVEGCSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cccc2c1OCCO2 ZINC001507200518 921735472 /nfs/dbraw/zinc/73/54/72/921735472.db2.gz DRYYFNNXEWTBQV-LLVKDONJSA-N 1 0 290.319 -0.229 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)C(C)C ZINC001507200621 921735808 /nfs/dbraw/zinc/73/58/08/921735808.db2.gz 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C#CC[NH2+][C@H](CO)CNC(=O)c1ncn2ccc(C)cc12 ZINC001507210408 921743672 /nfs/dbraw/zinc/74/36/72/921743672.db2.gz BEKQNGUZJBAXHK-LBPRGKRZSA-N 1 0 286.335 -0.044 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001466084232 915089239 /nfs/dbraw/zinc/08/92/39/915089239.db2.gz GMFQHRJVPYRBLN-NSHDSACASA-N 1 0 289.401 -0.498 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001507211234 921744618 /nfs/dbraw/zinc/74/46/18/921744618.db2.gz JYYBILDXYVSDDH-VXGBXAGGSA-N 1 0 276.340 -0.855 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(N(C)C)nc1 ZINC001507210979 921744668 /nfs/dbraw/zinc/74/46/68/921744668.db2.gz GZBFBSXCLJEFMU-CYBMUJFWSA-N 1 0 290.367 -0.149 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCn1c(C)csc1=O ZINC001507209080 921745825 /nfs/dbraw/zinc/74/58/25/921745825.db2.gz RJLWDCDESAJJLH-NSHDSACASA-N 1 0 297.380 -0.692 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(CCF)c1 ZINC001507210731 921745948 /nfs/dbraw/zinc/74/59/48/921745948.db2.gz DMLWBCPXFFULMA-LBPRGKRZSA-N 1 0 282.319 -0.444 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1C ZINC001507207844 921746064 /nfs/dbraw/zinc/74/60/64/921746064.db2.gz FUAPBLFNWVWKOG-ZDUSSCGKSA-N 1 0 278.356 -0.639 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001507220311 921752869 /nfs/dbraw/zinc/75/28/69/921752869.db2.gz ALZYBOOKPWHMOD-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cnn2cccnc12 ZINC001507223433 921756929 /nfs/dbraw/zinc/75/69/29/921756929.db2.gz ZRWYESHUDMNXBA-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC(=O)N1C ZINC001507227255 921759151 /nfs/dbraw/zinc/75/91/51/921759151.db2.gz OZRVPWORHWMNHJ-WDEREUQCSA-N 1 0 269.345 -0.750 20 30 CBEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001507229640 921763971 /nfs/dbraw/zinc/76/39/71/921763971.db2.gz PITZWFUIUPCRFJ-GHMZBOCLSA-N 1 0 294.355 -0.195 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(C)[nH]c1=O ZINC001507238320 921770505 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C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001507252337 921782406 /nfs/dbraw/zinc/78/24/06/921782406.db2.gz JDZFTDHVZJAGJN-OLZOCXBDSA-N 1 0 291.351 -0.061 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001507253774 921782837 /nfs/dbraw/zinc/78/28/37/921782837.db2.gz FQNQXQGBFGTNAB-JQWIXIFHSA-N 1 0 278.356 -0.233 20 30 CBEDRO CN(CCOCCO)C(=O)NCC#CC[NH+](C)C ZINC001471630169 915603100 /nfs/dbraw/zinc/60/31/00/915603100.db2.gz METAPRUJJSIMCG-UHFFFAOYSA-N 1 0 257.334 -0.798 20 30 CBEDRO C[C@@H](O)CN(C(=O)NCC#CC[NH+](C)C)[C@H](C)CO ZINC001471630217 915604447 /nfs/dbraw/zinc/60/44/47/915604447.db2.gz NBVBNINYWWURAI-VXGBXAGGSA-N 1 0 271.361 -0.675 20 30 CBEDRO C[C@H](O)CN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)CO ZINC001471630216 915605705 /nfs/dbraw/zinc/60/57/05/915605705.db2.gz NBVBNINYWWURAI-RYUDHWBXSA-N 1 0 271.361 -0.675 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NC[C@@]1(O)CCSC1 ZINC001471628689 915605818 /nfs/dbraw/zinc/60/58/18/915605818.db2.gz BIUHRTKZTPPOMI-LBPRGKRZSA-N 1 0 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CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)c1cnnn1C ZINC001482593229 917173693 /nfs/dbraw/zinc/17/36/93/917173693.db2.gz CXSMAZXIYZVJLJ-UHFFFAOYSA-N 1 0 279.344 -0.531 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001482598209 917175425 /nfs/dbraw/zinc/17/54/25/917175425.db2.gz FSQRQIVPUGRMCA-UHFFFAOYSA-N 1 0 250.306 -0.913 20 30 CBEDRO CC[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)CC#CCOC ZINC001482629282 917191421 /nfs/dbraw/zinc/19/14/21/917191421.db2.gz CWVBVFQHGWDXTM-AWEZNQCLSA-N 1 0 297.399 -0.059 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001482661523 917194478 /nfs/dbraw/zinc/19/44/78/917194478.db2.gz JKJFJNWNGXCMEI-STQMWFEESA-N 1 0 293.367 -0.566 20 30 CBEDRO C#CCNC(=O)CN(C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482651860 917197589 /nfs/dbraw/zinc/19/75/89/917197589.db2.gz LCZSTBZUQPERSC-UHFFFAOYSA-N 1 0 296.415 -0.534 20 30 CBEDRO C=CCOCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001482671958 917201614 /nfs/dbraw/zinc/20/16/14/917201614.db2.gz MYVFKGUMGPRTFY-NEPJUHHUSA-N 1 0 283.372 -0.191 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001482716560 917222582 /nfs/dbraw/zinc/22/25/82/917222582.db2.gz OLBKQCNPNZTYFO-JQWIXIFHSA-N 1 0 296.371 -0.728 20 30 CBEDRO Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)cn1 ZINC001482728205 917233757 /nfs/dbraw/zinc/23/37/57/917233757.db2.gz IHFSAFMAVFEGRJ-ZDUSSCGKSA-N 1 0 276.340 -0.600 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1CC ZINC001482726021 917234698 /nfs/dbraw/zinc/23/46/98/917234698.db2.gz ARHBBKVMZPDQIY-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)cnc2c1 ZINC001482728551 917236272 /nfs/dbraw/zinc/23/62/72/917236272.db2.gz HGNJKROLUOCDBM-ZDUSSCGKSA-N 1 0 286.335 -0.044 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732955 917240252 /nfs/dbraw/zinc/24/02/52/917240252.db2.gz TTWDDJKVWOIPSE-LBPRGKRZSA-N 1 0 265.313 -0.655 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482736115 917241966 /nfs/dbraw/zinc/24/19/66/917241966.db2.gz RHDYQWROMHXOHE-SECBINFHSA-N 1 0 288.311 -0.944 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCn1c(C)csc1=O ZINC001482737163 917242205 /nfs/dbraw/zinc/24/22/05/917242205.db2.gz GWRCIYWFCLWPPS-NSHDSACASA-N 1 0 299.396 -0.139 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482733829 917244420 /nfs/dbraw/zinc/24/44/20/917244420.db2.gz NSGGTGJNRFEPBW-SECBINFHSA-N 1 0 257.334 -0.859 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001482734708 917244574 /nfs/dbraw/zinc/24/45/74/917244574.db2.gz LCJNXJAEZHTFES-LLVKDONJSA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001482743952 917247016 /nfs/dbraw/zinc/24/70/16/917247016.db2.gz MRRVWNJTRPMXDW-CHWSQXEVSA-N 1 0 290.367 -0.465 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001482744814 917247795 /nfs/dbraw/zinc/24/77/95/917247795.db2.gz CUMCCNHIJIJREJ-CHWSQXEVSA-N 1 0 285.388 -0.650 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001482743826 917249060 /nfs/dbraw/zinc/24/90/60/917249060.db2.gz JYESIQMWYJKTGW-AAEUAGOBSA-N 1 0 276.340 -0.855 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)CCn1nc(C)cc1C ZINC001482752854 917252040 /nfs/dbraw/zinc/25/20/40/917252040.db2.gz FANWVEXUMSNYRR-AWEZNQCLSA-N 1 0 292.383 -0.020 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O)cc1 ZINC001482755336 917252206 /nfs/dbraw/zinc/25/22/06/917252206.db2.gz FTVMORSEHYNKRX-MFKMUULPSA-N 1 0 289.335 -0.778 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2onc(C)c2c1 ZINC001482756436 917255450 /nfs/dbraw/zinc/25/54/50/917255450.db2.gz RUEQYSKDZSQHAB-LLVKDONJSA-N 1 0 288.307 -0.155 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001482761940 917258194 /nfs/dbraw/zinc/25/81/94/917258194.db2.gz IIKZXQVUPDAZLA-WDEREUQCSA-N 1 0 294.355 -0.195 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001482763208 917259667 /nfs/dbraw/zinc/25/96/67/917259667.db2.gz 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ZINC001482783284 917280773 /nfs/dbraw/zinc/28/07/73/917280773.db2.gz ODEMTQOJRPJJSW-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c2c(nn1C)CCC2 ZINC001482786114 917282632 /nfs/dbraw/zinc/28/26/32/917282632.db2.gz QNGMWNVHSYENIE-LLVKDONJSA-N 1 0 290.367 -0.388 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCN1CCCC1=O ZINC001482793080 917287096 /nfs/dbraw/zinc/28/70/96/917287096.db2.gz NFONRLHAHULVSW-NSHDSACASA-N 1 0 269.345 -0.748 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CS(=O)(=O)CC ZINC001482797557 917287220 /nfs/dbraw/zinc/28/72/20/917287220.db2.gz AWQHINWZCQKNTP-SNVBAGLBSA-N 1 0 278.374 -0.936 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001482797998 917290089 /nfs/dbraw/zinc/29/00/89/917290089.db2.gz DCSLZBUXBVZNRA-GFCCVEGCSA-N 1 0 266.345 -0.166 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CCOCC1 ZINC001482803682 917293999 /nfs/dbraw/zinc/29/39/99/917293999.db2.gz BPKYOMJXCLOYDL-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001482802981 917294770 /nfs/dbraw/zinc/29/47/70/917294770.db2.gz XXGPRUNAMASKDV-SMDDNHRTSA-N 1 0 281.356 -0.865 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)CNC(=O)OC ZINC001482815135 917297413 /nfs/dbraw/zinc/29/74/13/917297413.db2.gz PYVRBRGPUQAQRK-NSHDSACASA-N 1 0 285.344 -0.523 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001482811831 917298545 /nfs/dbraw/zinc/29/85/45/917298545.db2.gz CNSOELPBOXFQAO-VXGBXAGGSA-N 1 0 254.330 -0.091 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001482822137 917300872 /nfs/dbraw/zinc/30/08/72/917300872.db2.gz XVWMEYXBQXHIQD-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)CNC(=O)OC ZINC001482816158 917300950 /nfs/dbraw/zinc/30/09/50/917300950.db2.gz XQFFERLSCITCON-SNVBAGLBSA-N 1 0 255.318 -0.150 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001482822136 917301908 /nfs/dbraw/zinc/30/19/08/917301908.db2.gz XVWMEYXBQXHIQD-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1ccnn1C ZINC001482815524 917301924 /nfs/dbraw/zinc/30/19/24/917301924.db2.gz QLKGYNJXIKELJA-LLVKDONJSA-N 1 0 293.371 -0.180 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001482831363 917304836 /nfs/dbraw/zinc/30/48/36/917304836.db2.gz LDFCGLARAXSFJY-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482829909 917306530 /nfs/dbraw/zinc/30/65/30/917306530.db2.gz ICTBTBUQAHXZOR-NWDGAFQWSA-N 1 0 293.367 -0.065 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001482846488 917309235 /nfs/dbraw/zinc/30/92/35/917309235.db2.gz XGNOYVWBSCLIHH-GHMZBOCLSA-N 1 0 251.330 -0.227 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1c[nH]cn1 ZINC001482872191 917315592 /nfs/dbraw/zinc/31/55/92/917315592.db2.gz FLTFVPUFFRVESM-JTQLQIEISA-N 1 0 292.343 -0.924 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001482867862 917316813 /nfs/dbraw/zinc/31/68/13/917316813.db2.gz MEXVKJVBNYRSPG-LLVKDONJSA-N 1 0 294.355 -0.127 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CCC(=O)N1CCOCC1 ZINC001482897463 917325140 /nfs/dbraw/zinc/32/51/40/917325140.db2.gz GQCSAGYZTGIIGL-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001482899947 917329424 /nfs/dbraw/zinc/32/94/24/917329424.db2.gz ZCPDOFJBXVZEMS-NSHDSACASA-N 1 0 291.355 -0.733 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)CN1CCOCC1 ZINC001482918657 917334713 /nfs/dbraw/zinc/33/47/13/917334713.db2.gz LNEYNNMMSACTLF-UHFFFAOYSA-N 1 0 253.346 -0.610 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(CC)CC[NH2+]CC(N)=O ZINC001482921952 917338969 /nfs/dbraw/zinc/33/89/69/917338969.db2.gz ULXOJJAHHIEGKM-GFCCVEGCSA-N 1 0 257.334 -0.763 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCNC1=O ZINC001482932066 917341895 /nfs/dbraw/zinc/34/18/95/917341895.db2.gz NMENTVZXRFGFKD-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001482936770 917343010 /nfs/dbraw/zinc/34/30/10/917343010.db2.gz MNIICOMOXBQTLC-UHFFFAOYSA-N 1 0 292.339 -0.590 20 30 CBEDRO CN1CC[C@H]([NH2+]C/C=C/CNC(=O)CSCC#N)C1=O ZINC001482979672 917354375 /nfs/dbraw/zinc/35/43/75/917354375.db2.gz FGEGNYJPYPDLMC-VUDBWIFFSA-N 1 0 296.396 -0.264 20 30 CBEDRO N#CCSCC(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001482980011 917356521 /nfs/dbraw/zinc/35/65/21/917356521.db2.gz HFWBNIIXVYLZIW-OWOJBTEDSA-N 1 0 296.396 -0.263 20 30 CBEDRO CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)CSCC#N)C1=O ZINC001482979669 917356983 /nfs/dbraw/zinc/35/69/83/917356983.db2.gz FGEGNYJPYPDLMC-KXMPLOMGSA-N 1 0 296.396 -0.264 20 30 CBEDRO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]CCNC(=O)C1CC1 ZINC001482990818 917362929 /nfs/dbraw/zinc/36/29/29/917362929.db2.gz IFTWXGFMCLTFLS-OTDNITJGSA-N 1 0 278.356 -0.066 20 30 CBEDRO C[C@H](C#N)C(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001482991949 917363631 /nfs/dbraw/zinc/36/36/31/917363631.db2.gz URGGLTIEEAOJSV-LVUHIJSRSA-N 1 0 264.329 -0.313 20 30 CBEDRO COC[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H](C)C#N ZINC001482990766 917364423 /nfs/dbraw/zinc/36/44/23/917364423.db2.gz HIFCSHMBGFIEHO-YIZUVKHSSA-N 1 0 255.318 -0.585 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001482991352 917364972 /nfs/dbraw/zinc/36/49/72/917364972.db2.gz PXEJHJLNJOVJQU-YEZKRMTDSA-N 1 0 295.343 -0.746 20 30 CBEDRO C#CCCCC(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483005378 917367621 /nfs/dbraw/zinc/36/76/21/917367621.db2.gz YMKQILQYURBSDM-FJOGCWAESA-N 1 0 291.351 -0.143 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001483015487 917375157 /nfs/dbraw/zinc/37/51/57/917375157.db2.gz LQVRJHBKJXHLEV-FOQNGQEVSA-N 1 0 291.351 -0.191 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)CCS(C)(=O)=O ZINC001483025611 917376817 /nfs/dbraw/zinc/37/68/17/917376817.db2.gz CMZTWPJHJLILET-WAYWQWQTSA-N 1 0 272.370 -0.294 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001483069973 917395145 /nfs/dbraw/zinc/39/51/45/917395145.db2.gz WCJMLOFKKPBHTQ-RUHGSLFBSA-N 1 0 290.367 -0.066 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@]1(C)CCOC1 ZINC001483078432 917401086 /nfs/dbraw/zinc/40/10/86/917401086.db2.gz QZNWFDQEENFNQH-XVWMLYKFSA-N 1 0 295.383 -0.023 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)c1nccnc1C(N)=O ZINC001483090876 917404288 /nfs/dbraw/zinc/40/42/88/917404288.db2.gz FHHDGFAGCNCWHE-SNAWJCMRSA-N 1 0 287.323 -0.526 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)c1ccc(=O)n(C)n1 ZINC001483090663 917405320 /nfs/dbraw/zinc/40/53/20/917405320.db2.gz AFKZFESRPOWLGC-AATRIKPKSA-N 1 0 274.324 -0.321 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(C)=O ZINC001483101573 917408566 /nfs/dbraw/zinc/40/85/66/917408566.db2.gz FSIJZNUXGMDREG-RKDXNWHRSA-N 1 0 270.333 -0.499 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCOC1 ZINC001483114526 917413083 /nfs/dbraw/zinc/41/30/83/917413083.db2.gz LZHGBCKKIJGJQA-GHMZBOCLSA-N 1 0 282.344 -0.853 20 30 CBEDRO C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H](C)C#N ZINC001483116959 917416976 /nfs/dbraw/zinc/41/69/76/917416976.db2.gz REYFYQXVNLSMRA-VHSXEESVSA-N 1 0 295.343 -0.818 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1nccnc1N ZINC001483115437 917417573 /nfs/dbraw/zinc/41/75/73/917417573.db2.gz IFQFIXLDSIOCDE-SNVBAGLBSA-N 1 0 277.328 -0.584 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001483116985 917418943 /nfs/dbraw/zinc/41/89/43/917418943.db2.gz YMTFEIQOWAQFNP-MNOVXSKESA-N 1 0 293.371 -0.263 20 30 CBEDRO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1)C(N)=O ZINC001483121078 917420349 /nfs/dbraw/zinc/42/03/49/917420349.db2.gz LJUKUQUKPRUGJD-LDYMZIIASA-N 1 0 277.328 -0.142 20 30 CBEDRO CCn1nccc1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001483123250 917420456 /nfs/dbraw/zinc/42/04/56/917420456.db2.gz LOLKLLYGSRFTHS-SNVBAGLBSA-N 1 0 292.343 -0.749 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cncnc1 ZINC001483123230 917421780 /nfs/dbraw/zinc/42/17/80/917421780.db2.gz LKWOJBHNSCXVBL-GHMZBOCLSA-N 1 0 289.339 -0.678 20 30 CBEDRO 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CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)C(N)=O)CCO1 ZINC001484681652 917922248 /nfs/dbraw/zinc/92/22/48/917922248.db2.gz YRMWNGCKNAZIMV-NSHDSACASA-N 1 0 281.356 -0.662 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001484677459 917922856 /nfs/dbraw/zinc/92/28/56/917922856.db2.gz MIYBFBIAXCYHDB-ZIAGYGMSSA-N 1 0 296.367 -0.368 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001484676005 917923485 /nfs/dbraw/zinc/92/34/85/917923485.db2.gz OIRTZHQQYWUCPB-ZDUSSCGKSA-N 1 0 276.340 -0.208 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001484697225 917925596 /nfs/dbraw/zinc/92/55/96/917925596.db2.gz LXQVAVUUOWYEKT-GFCCVEGCSA-N 1 0 277.328 -0.882 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC(=O)NCC)CCO1 ZINC001484695486 917926031 /nfs/dbraw/zinc/92/60/31/917926031.db2.gz DUXPNIWJTZPZAR-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C[NH+](C)CCC(=O)N1CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC001484703959 917926893 /nfs/dbraw/zinc/92/68/93/917926893.db2.gz 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CBEDRO CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001484877016 917955013 /nfs/dbraw/zinc/95/50/13/917955013.db2.gz MWTCWQFNOWWYJA-UWVGGRQHSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@H]1CN(C(=O)C(F)F)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001484876963 917955154 /nfs/dbraw/zinc/95/51/54/917955154.db2.gz KYSZZWUENRMTQY-JGVFFNPUSA-N 1 0 274.271 -0.672 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001484879536 917955412 /nfs/dbraw/zinc/95/54/12/917955412.db2.gz MVPOPWZUDFKZHK-QWRGUYRKSA-N 1 0 272.370 -0.509 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)Cc2nc[nH]n2)CCOCC1 ZINC001484871530 917955784 /nfs/dbraw/zinc/95/57/84/917955784.db2.gz VPKCZQSQNSIDRY-UHFFFAOYSA-N 1 0 277.328 -0.765 20 30 CBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C ZINC001484883422 917958180 /nfs/dbraw/zinc/95/81/80/917958180.db2.gz CJIUHZWMOQPPHK-UONOGXRCSA-N 1 0 279.384 -0.222 20 30 CBEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001484889509 917959336 /nfs/dbraw/zinc/95/93/36/917959336.db2.gz NBALQNCBGNXXPS-WDEREUQCSA-N 1 0 268.361 -0.072 20 30 CBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C ZINC001484884565 917959924 /nfs/dbraw/zinc/95/99/24/917959924.db2.gz KSVNESVYGSTFBY-WDEREUQCSA-N 1 0 261.329 -0.112 20 30 CBEDRO CCNC(=O)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001484885721 917960002 /nfs/dbraw/zinc/96/00/02/917960002.db2.gz WPLFKPBISGCOSP-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001484903501 917961734 /nfs/dbraw/zinc/96/17/34/917961734.db2.gz LKZNWLRGTWVHDY-UWVGGRQHSA-N 1 0 292.343 -0.843 20 30 CBEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCO)C2)nn1 ZINC001484901040 917962938 /nfs/dbraw/zinc/96/29/38/917962938.db2.gz ZNKIZRJYJZWQEM-NEPJUHHUSA-N 1 0 293.371 -0.103 20 30 CBEDRO C=CCCOCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC)C1 ZINC001484909179 917963219 /nfs/dbraw/zinc/96/32/19/917963219.db2.gz ITMLNADQNULFCG-NEPJUHHUSA-N 1 0 283.372 -0.238 20 30 CBEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001484949423 917969836 /nfs/dbraw/zinc/96/98/36/917969836.db2.gz GFLGYHOFEGMTPS-GFCCVEGCSA-N 1 0 293.367 -0.769 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001484953015 917970320 /nfs/dbraw/zinc/97/03/20/917970320.db2.gz FVICTLKWQCAJRS-JTQLQIEISA-N 1 0 283.328 -0.776 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484953624 917971012 /nfs/dbraw/zinc/97/10/12/917971012.db2.gz WOMGGCKNISGYJY-GHMZBOCLSA-N 1 0 283.328 -0.219 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001484964567 917974404 /nfs/dbraw/zinc/97/44/04/917974404.db2.gz OKLNNJVMOYQAEK-UHFFFAOYSA-N 1 0 290.367 -0.232 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1ccn[nH]1 ZINC001484989375 917975079 /nfs/dbraw/zinc/97/50/79/917975079.db2.gz VSUJTRJPXHAWKA-JTQLQIEISA-N 1 0 277.328 -0.743 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1cnon1 ZINC001485000374 917978075 /nfs/dbraw/zinc/97/80/75/917978075.db2.gz MSMCFDSEPLCKQF-UWVGGRQHSA-N 1 0 295.343 -0.142 20 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WAKQUVYCMYKYJN-NWDGAFQWSA-N 1 0 294.351 -0.628 20 30 CBEDRO C#CCC[NH+]1CCC(CO)(NC(=O)c2cn[nH]c2)CC1 ZINC001485013025 917982641 /nfs/dbraw/zinc/98/26/41/917982641.db2.gz FMWVQKLNUDSXPU-UHFFFAOYSA-N 1 0 276.340 -0.010 20 30 CBEDRO C#CCC[NH+]1CCC(CO)(NC(=O)[C@H](C)NC(C)=O)CC1 ZINC001485014551 917983141 /nfs/dbraw/zinc/98/31/41/917983141.db2.gz YBARWLTUZOSVCH-LBPRGKRZSA-N 1 0 295.383 -0.523 20 30 CBEDRO C=CCOCC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001485088229 917990673 /nfs/dbraw/zinc/99/06/73/917990673.db2.gz UXWNKSCSDKILBU-HTAVTVPLSA-N 1 0 281.356 -0.438 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C(F)F)C1 ZINC001485083248 917991299 /nfs/dbraw/zinc/99/12/99/917991299.db2.gz JYQLMAOABAZBNC-XNWIYYODSA-N 1 0 287.310 -0.126 20 30 CBEDRO C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001485097065 917994731 /nfs/dbraw/zinc/99/47/31/917994731.db2.gz HBQUYYOPABXHQV-MOENNCHZSA-N 1 0 263.341 -0.370 20 30 CBEDRO C[C@@H](NC(=O)C(C)(F)F)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485114315 917998594 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C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCNC(=O)COC ZINC001485156149 918015123 /nfs/dbraw/zinc/01/51/23/918015123.db2.gz WTJZKBOVZCIBLD-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001485153053 918015409 /nfs/dbraw/zinc/01/54/09/918015409.db2.gz KKIDBQFTRBXMSX-ZJUUUORDSA-N 1 0 275.374 -0.958 20 30 CBEDRO COCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001485172719 918018180 /nfs/dbraw/zinc/01/81/80/918018180.db2.gz UQPGWCUVJANTPD-QWRGUYRKSA-N 1 0 296.371 -0.464 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001485167146 918020434 /nfs/dbraw/zinc/02/04/34/918020434.db2.gz UOLVNUQOUUDMTB-BDAKNGLRSA-N 1 0 299.352 -0.343 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccnn1 ZINC001485203961 918026582 /nfs/dbraw/zinc/02/65/82/918026582.db2.gz GFHDADBCOWXUSZ-WDEREUQCSA-N 1 0 291.355 -0.125 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(=O)NCC1CC1 ZINC001485210054 918028439 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CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCNC(=O)COC ZINC001485310910 918069260 /nfs/dbraw/zinc/06/92/60/918069260.db2.gz VBKXLEYDAWWVMC-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C#CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)C1CC1 ZINC001485308553 918069611 /nfs/dbraw/zinc/06/96/11/918069611.db2.gz KPVKHXSRVHSVSZ-LLVKDONJSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001485313309 918073013 /nfs/dbraw/zinc/07/30/13/918073013.db2.gz ONZNONJGMWAJQP-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001485340247 918077440 /nfs/dbraw/zinc/07/74/40/918077440.db2.gz SWLICNOPQRGGAU-SECBINFHSA-N 1 0 252.322 -0.164 20 30 CBEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001485379445 918096960 /nfs/dbraw/zinc/09/69/60/918096960.db2.gz LUPGNAMNJPPOPA-LLVKDONJSA-N 1 0 291.417 -0.110 20 30 CBEDRO C#CC[NH2+]C[C@@H](CCCC)NC(=O)CS(C)(=O)=O ZINC001485460993 918121314 /nfs/dbraw/zinc/12/13/14/918121314.db2.gz ANCXHNSXQUNKQA-LLVKDONJSA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001485536681 918141507 /nfs/dbraw/zinc/14/15/07/918141507.db2.gz WATKBBLORMLUMS-NSHDSACASA-N 1 0 261.329 -0.262 20 30 CBEDRO C#CCOCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#C)C[C@H]21 ZINC001485601061 918154406 /nfs/dbraw/zinc/15/44/06/918154406.db2.gz HXXVXKZOYHYXGI-ZSOGYDGISA-N 1 0 260.337 -0.047 20 30 CBEDRO C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C(C)=O)CCO1 ZINC001485632677 918157898 /nfs/dbraw/zinc/15/78/98/918157898.db2.gz JZRWRWQTUIUUCB-AAEUAGOBSA-N 1 0 283.372 -0.144 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634446 918159630 /nfs/dbraw/zinc/15/96/30/918159630.db2.gz UAHYNWCCXLIFSU-GXSJLCMTSA-N 1 0 280.353 -0.010 20 30 CBEDRO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001485638470 918160156 /nfs/dbraw/zinc/16/01/56/918160156.db2.gz ZAKIPGKIRJORST-GWCFXTLKSA-N 1 0 292.339 -0.302 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 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275.736 -0.570 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)OC)C1 ZINC001485676685 918167397 /nfs/dbraw/zinc/16/73/97/918167397.db2.gz JTIMYUOECZBAOS-AVGNSLFASA-N 1 0 295.383 -0.355 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001485674192 918167416 /nfs/dbraw/zinc/16/74/16/918167416.db2.gz BEOFGJWNRFJZFO-XYPYZODXSA-N 1 0 289.339 -0.248 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(C)=O)C1 ZINC001485672154 918167482 /nfs/dbraw/zinc/16/74/82/918167482.db2.gz OMIOUJMYHPZEFZ-YUSALJHKSA-N 1 0 296.371 -0.109 20 30 CBEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001485701809 918170364 /nfs/dbraw/zinc/17/03/64/918170364.db2.gz XRSJOISGYVIMET-XYPYZODXSA-N 1 0 294.355 -0.401 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001485693884 918170528 /nfs/dbraw/zinc/17/05/28/918170528.db2.gz QUZSKNAUEZVDSQ-SRVKXCTJSA-N 1 0 283.347 -0.032 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001485719778 918174527 /nfs/dbraw/zinc/17/45/27/918174527.db2.gz LKFVLMPCXSTKFA-GHMZBOCLSA-N 1 0 267.329 -0.007 20 30 CBEDRO CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001485719783 918174887 /nfs/dbraw/zinc/17/48/87/918174887.db2.gz LKFVLMPCXSTKFA-WDEREUQCSA-N 1 0 267.329 -0.007 20 30 CBEDRO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001485738127 918178624 /nfs/dbraw/zinc/17/86/24/918178624.db2.gz RZIDWSGYXBWLKY-FRRDWIJNSA-N 1 0 295.383 -0.083 20 30 CBEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001485735518 918178675 /nfs/dbraw/zinc/17/86/75/918178675.db2.gz KHNFATIBWKDWEG-NXEZZACHSA-N 1 0 254.334 -0.272 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)CNC(C)=O ZINC001485769636 918181891 /nfs/dbraw/zinc/18/18/91/918181891.db2.gz GOATZVFFLHXHBI-UHFFFAOYSA-N 1 0 269.345 -0.790 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@H](C)n1cncn1 ZINC001485773279 918188140 /nfs/dbraw/zinc/18/81/40/918188140.db2.gz LRCBEUXMLLIRPU-LBPRGKRZSA-N 1 0 279.344 -0.463 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1nccnc1N ZINC001485793071 918191044 /nfs/dbraw/zinc/19/10/44/918191044.db2.gz KHQHBOGPBQQGEO-UHFFFAOYSA-N 1 0 291.355 -0.192 20 30 CBEDRO COCC#CC[NH2+][C@H](CCNC(=O)C(N)=O)C(C)C ZINC001485788833 918192231 /nfs/dbraw/zinc/19/22/31/918192231.db2.gz MINCAXCUMZWITC-LLVKDONJSA-N 1 0 269.345 -0.758 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)c1cnns1 ZINC001485793242 918192525 /nfs/dbraw/zinc/19/25/25/918192525.db2.gz MSTLSYHHUMRAOO-UHFFFAOYSA-N 1 0 268.342 -0.103 20 30 CBEDRO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001485807038 918194277 /nfs/dbraw/zinc/19/42/77/918194277.db2.gz JNYMTWZWFAUPHX-CMPLNLGQSA-N 1 0 280.372 -0.107 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485810277 918194294 /nfs/dbraw/zinc/19/42/94/918194294.db2.gz CXYNDWBFWXYTFJ-CMPLNLGQSA-N 1 0 281.356 -0.663 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485810280 918195245 /nfs/dbraw/zinc/19/52/45/918195245.db2.gz CXYNDWBFWXYTFJ-ZYHUDNBSSA-N 1 0 281.356 -0.663 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CCCNC1=O ZINC001485817984 918196746 /nfs/dbraw/zinc/19/67/46/918196746.db2.gz QTMWWZUQSRYDGJ-CYBMUJFWSA-N 1 0 292.383 -0.139 20 30 CBEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001485858294 918214736 /nfs/dbraw/zinc/21/47/36/918214736.db2.gz NAXOBDAPPDZTMN-QWRGUYRKSA-N 1 0 296.371 -0.915 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001485858290 918215113 /nfs/dbraw/zinc/21/51/13/918215113.db2.gz NAXOBDAPPDZTMN-GHMZBOCLSA-N 1 0 296.371 -0.915 20 30 CBEDRO CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485876420 918216853 /nfs/dbraw/zinc/21/68/53/918216853.db2.gz ASSAAICBHCJDTI-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001485885711 918218750 /nfs/dbraw/zinc/21/87/50/918218750.db2.gz PKZCHOKZHRZKSB-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CCn1ncn(C)c1=O ZINC001485906467 918221611 /nfs/dbraw/zinc/22/16/11/918221611.db2.gz WEQQSTHFATUUEF-LLVKDONJSA-N 1 0 281.360 -0.406 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]nc1C ZINC001485907052 918223462 /nfs/dbraw/zinc/22/34/62/918223462.db2.gz VALXCDSXGMFDIV-SNVBAGLBSA-N 1 0 291.355 -0.482 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccoc1CC(N)=O ZINC001485913761 918225941 /nfs/dbraw/zinc/22/59/41/918225941.db2.gz FPAQEKRQWQYZDK-JTQLQIEISA-N 1 0 277.324 -0.009 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001485911679 918226111 /nfs/dbraw/zinc/22/61/11/918226111.db2.gz FNBAQYMORZLZHR-QWRGUYRKSA-N 1 0 251.330 -0.466 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001485916840 918228407 /nfs/dbraw/zinc/22/84/07/918228407.db2.gz YVRJHHCIGJFZJV-SNVBAGLBSA-N 1 0 262.313 -0.157 20 30 CBEDRO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001485920941 918228512 /nfs/dbraw/zinc/22/85/12/918228512.db2.gz OMTSPZJJNHEQGX-JTQLQIEISA-N 1 0 296.371 -0.026 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001485928610 918230601 /nfs/dbraw/zinc/23/06/01/918230601.db2.gz XSKRSZQAZRMXII-GHMZBOCLSA-N 1 0 291.417 -0.063 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)C1(C(=O)NC)CC1 ZINC001485933318 918234028 /nfs/dbraw/zinc/23/40/28/918234028.db2.gz AZTQQKLNGDRXQQ-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1nc2ncccn2n1 ZINC001485934800 918235434 /nfs/dbraw/zinc/23/54/34/918235434.db2.gz RDJGYUSISCLDDB-SNVBAGLBSA-N 1 0 272.312 -0.192 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001485955564 918238886 /nfs/dbraw/zinc/23/88/86/918238886.db2.gz NHXSBFBDJMQXMM-SECBINFHSA-N 1 0 262.313 -0.203 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1C=CCC1 ZINC001485971774 918256589 /nfs/dbraw/zinc/25/65/89/918256589.db2.gz BGIJIPIRAOGIBP-STQMWFEESA-N 1 0 293.367 -0.841 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ocnc1C ZINC001485984783 918278777 /nfs/dbraw/zinc/27/87/77/918278777.db2.gz 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C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001486023296 918315716 /nfs/dbraw/zinc/31/57/16/918315716.db2.gz BQYUVDKRMJMENS-RKDXNWHRSA-N 1 0 257.334 -0.861 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O)CC1 ZINC001486032838 918326589 /nfs/dbraw/zinc/32/65/89/918326589.db2.gz UMKIHQGELXWARS-PWSUYJOCSA-N 1 0 283.372 -0.327 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001486032402 918327215 /nfs/dbraw/zinc/32/72/15/918327215.db2.gz ALFQWGJEKNABNN-STQMWFEESA-N 1 0 290.367 -0.546 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001486032397 918328134 /nfs/dbraw/zinc/32/81/34/918328134.db2.gz ALFQWGJEKNABNN-QWHCGFSZSA-N 1 0 290.367 -0.546 20 30 CBEDRO C[C@@H](C(=O)NC[C@H](CO)NCC#N)[NH+]1CCCCCC1 ZINC001486041169 918334574 /nfs/dbraw/zinc/33/45/74/918334574.db2.gz LHMBOLWSQZIEQZ-QWHCGFSZSA-N 1 0 282.388 -0.159 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001486044458 918335283 /nfs/dbraw/zinc/33/52/83/918335283.db2.gz YEAYCWPIKMUFMA-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001486042177 918335448 /nfs/dbraw/zinc/33/54/48/918335448.db2.gz FWKGCEURIGFMIS-PWSUYJOCSA-N 1 0 266.345 -0.159 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCc1ncccn1 ZINC001486042964 918335643 /nfs/dbraw/zinc/33/56/43/918335643.db2.gz INTRCENPIVUSJQ-NSHDSACASA-N 1 0 262.313 -0.891 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)c1cnon1 ZINC001486042599 918335846 /nfs/dbraw/zinc/33/58/46/918335846.db2.gz GGRDZJAXSPSSTE-SECBINFHSA-N 1 0 254.290 -0.284 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1nc2ncccn2n1 ZINC001486045339 918336026 /nfs/dbraw/zinc/33/60/26/918336026.db2.gz ZMZAFPWOKOSSRV-JTQLQIEISA-N 1 0 290.327 -0.619 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)COC ZINC001486047906 918340107 /nfs/dbraw/zinc/34/01/07/918340107.db2.gz NZLVCRZEXYLRFF-RYUDHWBXSA-N 1 0 256.346 -0.251 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nn1 ZINC001486049935 918344917 /nfs/dbraw/zinc/34/49/17/918344917.db2.gz BMANKSDKMKWKAW-JTQLQIEISA-N 1 0 280.328 -0.258 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cn(CC)cn1 ZINC001486053135 918345718 /nfs/dbraw/zinc/34/57/18/918345718.db2.gz UZAMMIQVZVRDFC-JTQLQIEISA-N 1 0 250.302 -0.784 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)OC)nc1 ZINC001486055882 918348859 /nfs/dbraw/zinc/34/88/59/918348859.db2.gz PTRNVISVZFYORN-DGCLKSJQSA-N 1 0 291.351 -0.222 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C ZINC001486073437 918360391 /nfs/dbraw/zinc/36/03/91/918360391.db2.gz BEQNEGLOTFNREU-MNOVXSKESA-N 1 0 272.370 -0.367 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001486073872 918360818 /nfs/dbraw/zinc/36/08/18/918360818.db2.gz KADMSKFXNQQLMW-NWDGAFQWSA-N 1 0 297.355 -0.429 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC001486087758 918361589 /nfs/dbraw/zinc/36/15/89/918361589.db2.gz ODVPUIZDMLRBSI-CHWSQXEVSA-N 1 0 292.383 -0.980 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC001486093970 918362469 /nfs/dbraw/zinc/36/24/69/918362469.db2.gz SROBHTJMEZRITM-WDEREUQCSA-N 1 0 261.329 -0.051 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC)C1 ZINC001486098839 918363084 /nfs/dbraw/zinc/36/30/84/918363084.db2.gz SQGQEGYTKBFGJS-MNOVXSKESA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C(F)F)C1 ZINC001486098949 918363520 /nfs/dbraw/zinc/36/35/20/918363520.db2.gz UBXUGLNOQHBMKJ-BDAKNGLRSA-N 1 0 273.283 -0.420 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)NCC)C[C@H]1C ZINC001486104207 918366310 /nfs/dbraw/zinc/36/63/10/918366310.db2.gz KDGDGQCULMCDBB-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCOCCC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001486111409 918369884 /nfs/dbraw/zinc/36/98/84/918369884.db2.gz BMMGIEUPISBGRF-WDEREUQCSA-N 1 0 267.329 -0.909 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCNC(=O)COC)C1 ZINC001486114260 918369974 /nfs/dbraw/zinc/36/99/74/918369974.db2.gz MPKYDUZAGXBZNI-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001486120919 918372016 /nfs/dbraw/zinc/37/20/16/918372016.db2.gz GTWVNZAOVJLVFI-UWVGGRQHSA-N 1 0 255.318 -0.747 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001486120922 918373011 /nfs/dbraw/zinc/37/30/11/918373011.db2.gz GTWVNZAOVJLVFI-ZJUUUORDSA-N 1 0 255.318 -0.747 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001486131257 918373092 /nfs/dbraw/zinc/37/30/92/918373092.db2.gz WMFLJUZCKDAGOG-OLZOCXBDSA-N 1 0 291.355 -0.493 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001486120921 918374215 /nfs/dbraw/zinc/37/42/15/918374215.db2.gz GTWVNZAOVJLVFI-VHSXEESVSA-N 1 0 255.318 -0.747 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001486131265 918374647 /nfs/dbraw/zinc/37/46/47/918374647.db2.gz WMFLJUZCKDAGOG-STQMWFEESA-N 1 0 291.355 -0.493 20 30 CBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@@H]12 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C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001486274622 918406272 /nfs/dbraw/zinc/40/62/72/918406272.db2.gz KEKPHOILOPHENN-GFCCVEGCSA-N 1 0 276.340 -0.169 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C#CC(C)C ZINC001486273833 918406329 /nfs/dbraw/zinc/40/63/29/918406329.db2.gz HRQUPLPIOJYIEF-NWDGAFQWSA-N 1 0 283.372 -0.811 20 30 CBEDRO CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC1 ZINC001486274703 918406484 /nfs/dbraw/zinc/40/64/84/918406484.db2.gz QGIKSAIPLDMXPB-ZDUSSCGKSA-N 1 0 295.383 -0.667 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001486275965 918406629 /nfs/dbraw/zinc/40/66/29/918406629.db2.gz ZNAMNBVRLSSASM-NSHDSACASA-N 1 0 264.329 -0.006 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C2CC2)nn1C ZINC001486278367 918409016 /nfs/dbraw/zinc/40/90/16/918409016.db2.gz IUEOOSVRFMUKNO-LBPRGKRZSA-N 1 0 290.367 -0.047 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001486286952 918410575 /nfs/dbraw/zinc/41/05/75/918410575.db2.gz AUBAJGKPQCEUPK-LLVKDONJSA-N 1 0 290.367 -0.056 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1COCCN1CC ZINC001486286496 918411342 /nfs/dbraw/zinc/41/13/42/918411342.db2.gz VCHOMRUGWHVXII-KGLIPLIRSA-N 1 0 297.399 -0.861 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001486285480 918412644 /nfs/dbraw/zinc/41/26/44/918412644.db2.gz HONCTKWVLFYNJZ-JTQLQIEISA-N 1 0 293.323 -0.576 20 30 CBEDRO CC#CCCCC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486296856 918414067 /nfs/dbraw/zinc/41/40/67/918414067.db2.gz SIVDTAPZUMBFIJ-GFCCVEGCSA-N 1 0 256.346 -0.419 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001486296820 918415393 /nfs/dbraw/zinc/41/53/93/918415393.db2.gz XULRZVVDASRDTE-DGCLKSJQSA-N 1 0 272.320 -0.453 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001486310601 918419017 /nfs/dbraw/zinc/41/90/17/918419017.db2.gz JWHCAQJQTYBRGQ-SDDRHHMPSA-N 1 0 299.371 -0.996 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001486306568 918420778 /nfs/dbraw/zinc/42/07/78/918420778.db2.gz CAHSDYMCILVRCI-WCQYABFASA-N 1 0 254.330 -0.545 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001486314051 918422268 /nfs/dbraw/zinc/42/22/68/918422268.db2.gz SOTXFNBQBNHFAG-CQSZACIVSA-N 1 0 292.383 -0.215 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CN1CCCCCC1=O ZINC001486315912 918423041 /nfs/dbraw/zinc/42/30/41/918423041.db2.gz PUSKMFDWJMDVFK-CYBMUJFWSA-N 1 0 295.383 -0.569 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001486313041 918423674 /nfs/dbraw/zinc/42/36/74/918423674.db2.gz KJGPCEYSBCPYDV-VXGBXAGGSA-N 1 0 281.356 -0.961 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001486323603 918426627 /nfs/dbraw/zinc/42/66/27/918426627.db2.gz DIQHSCNTJGVMGV-LBPRGKRZSA-N 1 0 279.344 -0.948 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001486326003 918430873 /nfs/dbraw/zinc/43/08/73/918430873.db2.gz QRTXMCWWIWDBGK-WCQYABFASA-N 1 0 283.372 -0.715 20 30 CBEDRO 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C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1ccnc1 ZINC001491692866 919254840 /nfs/dbraw/zinc/25/48/40/919254840.db2.gz AIHFHTLFVPRQRO-LLVKDONJSA-N 1 0 279.344 -0.720 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001491687475 919257357 /nfs/dbraw/zinc/25/73/57/919257357.db2.gz PDTDHOCWEAOIIH-ZYHUDNBSSA-N 1 0 275.356 -0.124 20 30 CBEDRO Cc1nc(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)c[nH]1 ZINC001491716525 919258599 /nfs/dbraw/zinc/25/85/99/919258599.db2.gz KEMYOSPBTWIANO-JTQLQIEISA-N 1 0 290.327 -0.838 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccccn2)C1 ZINC001491706999 919258862 /nfs/dbraw/zinc/25/88/62/919258862.db2.gz BLXWEUAPEBMKIM-LBPRGKRZSA-N 1 0 286.335 -0.365 20 30 CBEDRO CC#CC[NH2+][C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001491699411 919260579 /nfs/dbraw/zinc/26/05/79/919260579.db2.gz QYGHIOHKBXWRJU-LLVKDONJSA-N 1 0 263.345 -0.135 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)C1 ZINC001491729305 919263367 /nfs/dbraw/zinc/26/33/67/919263367.db2.gz 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ZINC001491775027 919276069 /nfs/dbraw/zinc/27/60/69/919276069.db2.gz CJHKXTZIHLGKBI-NSHDSACASA-N 1 0 251.330 -0.144 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001491786430 919278767 /nfs/dbraw/zinc/27/87/67/919278767.db2.gz PNRIJPKIURCXIN-SNVBAGLBSA-N 1 0 284.385 -0.573 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COC(C)C)C1 ZINC001491788702 919279540 /nfs/dbraw/zinc/27/95/40/919279540.db2.gz VDJPHACVFNQPPU-CYBMUJFWSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001491800361 919280894 /nfs/dbraw/zinc/28/08/94/919280894.db2.gz JJSXPJQLPNXSCL-STQMWFEESA-N 1 0 266.341 -0.137 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001491800902 919281571 /nfs/dbraw/zinc/28/15/71/919281571.db2.gz STTDRJOAAJYNBT-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001491801993 919282189 /nfs/dbraw/zinc/28/21/89/919282189.db2.gz IBWRERYWARCNHV-WDEREUQCSA-N 1 0 265.313 -0.444 20 30 CBEDRO 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CC[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)NC(=O)NC ZINC001494953824 919824867 /nfs/dbraw/zinc/82/48/67/919824867.db2.gz OEFSEYSHPBDROO-DTWKUNHWSA-N 1 0 283.332 -0.914 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cocn1 ZINC001494948511 919825066 /nfs/dbraw/zinc/82/50/66/919825066.db2.gz IYWCZWOGGWQPFY-JTQLQIEISA-N 1 0 278.312 -0.478 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CC(C)(C)O ZINC001494971480 919831167 /nfs/dbraw/zinc/83/11/67/919831167.db2.gz TZRUZIYPBZISEH-NSHDSACASA-N 1 0 283.372 -0.619 20 30 CBEDRO C#CCC[NH2+][C@H](CC)CNC(=O)CN1CCOCC1=O ZINC001495001699 919841918 /nfs/dbraw/zinc/84/19/18/919841918.db2.gz GEYJTEJSDXDXHZ-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO CC[C@H](CNC(=O)c1c[nH]c(=O)n1C)[NH2+]CC#CCOC ZINC001495039938 919849588 /nfs/dbraw/zinc/84/95/88/919849588.db2.gz WRRSUNPLFGDSKI-LLVKDONJSA-N 1 0 294.355 -0.127 20 30 CBEDRO CC[C@@H](CNC(=O)Cn1cncn1)[NH2+]CC#CCOC ZINC001495102856 919860199 /nfs/dbraw/zinc/86/01/99/919860199.db2.gz GRRHMBJAFUMXBA-LBPRGKRZSA-N 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C#CCNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(C)=O ZINC001496464709 920074744 /nfs/dbraw/zinc/07/47/44/920074744.db2.gz LWMKFOQEDNRRIV-WCQYABFASA-N 1 0 265.357 -0.028 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]CCS(C)(=O)=O ZINC001496532619 920084428 /nfs/dbraw/zinc/08/44/28/920084428.db2.gz BKCKFQQUDDQUSI-WDEREUQCSA-N 1 0 289.401 -0.079 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]CCS(C)(=O)=O ZINC001496532616 920085007 /nfs/dbraw/zinc/08/50/07/920085007.db2.gz BKCKFQQUDDQUSI-GHMZBOCLSA-N 1 0 289.401 -0.079 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)C[C@@H](C)NC(N)=O)C(C)C ZINC001496559413 920087222 /nfs/dbraw/zinc/08/72/22/920087222.db2.gz VDAUUNCPDITZEC-GHMZBOCLSA-N 1 0 268.361 -0.203 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CCN1C(=O)CCC1=O)C(C)C ZINC001496577352 920091744 /nfs/dbraw/zinc/09/17/44/920091744.db2.gz DBBRIVVRJQWIJL-LBPRGKRZSA-N 1 0 293.367 -0.111 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CCCS(N)(=O)=O)C(C)C ZINC001496597369 920095533 /nfs/dbraw/zinc/09/55/33/920095533.db2.gz 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C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001496955750 920175197 /nfs/dbraw/zinc/17/51/97/920175197.db2.gz UQCNPOBQIXKNJS-RKDXNWHRSA-N 1 0 268.342 -0.131 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001496955745 920176186 /nfs/dbraw/zinc/17/61/86/920176186.db2.gz UQCNPOBQIXKNJS-BDAKNGLRSA-N 1 0 268.342 -0.131 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001496955329 920176633 /nfs/dbraw/zinc/17/66/33/920176633.db2.gz OFJRZNKWFPDZQM-ONGXEEELSA-N 1 0 265.317 -0.854 20 30 CBEDRO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N ZINC001496956222 920177957 /nfs/dbraw/zinc/17/79/57/920177957.db2.gz YWTVPEMFSVMCCW-GXSJLCMTSA-N 1 0 280.332 -0.976 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001496966716 920182276 /nfs/dbraw/zinc/18/22/76/920182276.db2.gz VXRAAYCRDCVCKN-DGCLKSJQSA-N 1 0 254.330 -0.763 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001496968968 920182297 /nfs/dbraw/zinc/18/22/97/920182297.db2.gz 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C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001496992831 920197542 /nfs/dbraw/zinc/19/75/42/920197542.db2.gz BFWSCCVQMBBFTB-GHMZBOCLSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001496994354 920198039 /nfs/dbraw/zinc/19/80/39/920198039.db2.gz NXXWVJLNEBBANI-MNOVXSKESA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1CC ZINC001496995261 920198087 /nfs/dbraw/zinc/19/80/87/920198087.db2.gz SBHKXQXJVDNHQV-SNVBAGLBSA-N 1 0 264.329 -0.704 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2ccncc12 ZINC001496997001 920198799 /nfs/dbraw/zinc/19/87/99/920198799.db2.gz RJHYGGVYFRVUEH-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496999644 920200263 /nfs/dbraw/zinc/20/02/63/920200263.db2.gz WWQAWHXIASDNME-MCIONIFRSA-N 1 0 298.383 -0.482 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C1CCC1 ZINC001497003783 920201498 /nfs/dbraw/zinc/20/14/98/920201498.db2.gz SLZYOLHEDCLSNE-WCQYABFASA-N 1 0 295.383 -0.761 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001497004388 920201692 /nfs/dbraw/zinc/20/16/92/920201692.db2.gz WYAJASXIUBLKOX-QMMMGPOBSA-N 1 0 286.719 -0.385 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001497003551 920202042 /nfs/dbraw/zinc/20/20/42/920202042.db2.gz WYQXQTLXSYKPGT-MFKMUULPSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1csc(NC(C)=O)n1 ZINC001497005276 920204738 /nfs/dbraw/zinc/20/47/38/920204738.db2.gz MJTBEBAKDKXHDB-VIFPVBQESA-N 1 0 296.352 -0.585 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001497013446 920207539 /nfs/dbraw/zinc/20/75/39/920207539.db2.gz XZTYTHIHEYDVBI-YPMHNXCESA-N 1 0 278.356 -0.302 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)CC1CS(=O)(=O)C1 ZINC001497011946 920208214 /nfs/dbraw/zinc/20/82/14/920208214.db2.gz PGGDBFMZRJYOEJ-LLVKDONJSA-N 1 0 290.385 -0.936 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1nccn1C ZINC001497022363 920213141 /nfs/dbraw/zinc/21/31/41/920213141.db2.gz JYEOLKRCRVJQFH-NSHDSACASA-N 1 0 266.345 -0.395 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001497034218 920219376 /nfs/dbraw/zinc/21/93/76/920219376.db2.gz OVXUQHACCVTTDO-GHMZBOCLSA-N 1 0 293.323 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001497034220 920220773 /nfs/dbraw/zinc/22/07/73/920220773.db2.gz OVXUQHACCVTTDO-QWRGUYRKSA-N 1 0 293.323 -0.160 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497040809 920223109 /nfs/dbraw/zinc/22/31/09/920223109.db2.gz OIIUQBXALKSCSJ-GFCCVEGCSA-N 1 0 279.340 -0.028 20 30 CBEDRO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCC#N)CC[N@@H+]1C ZINC001497040760 920224154 /nfs/dbraw/zinc/22/41/54/920224154.db2.gz NZSWOPOOVWJUOM-SRVKXCTJSA-N 1 0 268.361 -0.693 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001497041747 920225178 /nfs/dbraw/zinc/22/51/78/920225178.db2.gz SUWKMNSNOYJTIR-ZJUUUORDSA-N 1 0 295.305 -0.431 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497051338 920229225 /nfs/dbraw/zinc/22/92/25/920229225.db2.gz QNQYNWTYWKZIFT-WDEREUQCSA-N 1 0 297.355 -0.785 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccnnc1 ZINC001497064712 920237067 /nfs/dbraw/zinc/23/70/67/920237067.db2.gz WVNFWPPWQRURLN-LLVKDONJSA-N 1 0 250.302 -0.267 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001497069271 920239717 /nfs/dbraw/zinc/23/97/17/920239717.db2.gz AHMMXCNCFIZDBT-AGIUHOORSA-N 1 0 266.341 -0.333 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001497078655 920241285 /nfs/dbraw/zinc/24/12/85/920241285.db2.gz ZKTHYBABVZSSIM-ZDUSSCGKSA-N 1 0 297.399 -0.813 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1c(C)noc1C ZINC001497112434 920247648 /nfs/dbraw/zinc/24/76/48/920247648.db2.gz FNUCSRYWRKWPLX-GFCCVEGCSA-N 1 0 279.340 -0.076 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001497105695 920250863 /nfs/dbraw/zinc/25/08/63/920250863.db2.gz RGGZXIGPTUOGJY-LLVKDONJSA-N 1 0 294.355 -0.573 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccccc1OC ZINC001497114193 920251388 /nfs/dbraw/zinc/25/13/88/920251388.db2.gz MWRUPSATAZGPFR-ZDUSSCGKSA-N 1 0 276.336 -0.062 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001497118359 920252934 /nfs/dbraw/zinc/25/29/34/920252934.db2.gz NKOHXRBDCANRKJ-PWSUYJOCSA-N 1 0 276.340 -0.786 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001497116647 920253666 /nfs/dbraw/zinc/25/36/66/920253666.db2.gz HDEIVELGXBGRPA-QWRGUYRKSA-N 1 0 290.385 -0.794 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001497132434 920255570 /nfs/dbraw/zinc/25/55/70/920255570.db2.gz KQEPORIIMVJTSG-ZYHUDNBSSA-N 1 0 266.345 -0.224 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001497132429 920257200 /nfs/dbraw/zinc/25/72/00/920257200.db2.gz KQEPORIIMVJTSG-CMPLNLGQSA-N 1 0 266.345 -0.224 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1c(OC)ncnc1OC ZINC001497126604 920257898 /nfs/dbraw/zinc/25/78/98/920257898.db2.gz NSANPUAZJXYSNJ-VIFPVBQESA-N 1 0 296.327 -0.640 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001497125985 920258266 /nfs/dbraw/zinc/25/82/66/920258266.db2.gz DJMBBOTXQRNREL-UONOGXRCSA-N 1 0 288.347 -0.002 20 30 CBEDRO Cc1ncc(C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N)[nH]1 ZINC001497153887 920264325 /nfs/dbraw/zinc/26/43/25/920264325.db2.gz HPSDGZRWTUJCGI-VIFPVBQESA-N 1 0 292.343 -0.544 20 30 CBEDRO CCC(=O)NCC(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001497154487 920264526 /nfs/dbraw/zinc/26/45/26/920264526.db2.gz LCGBWSHFTCPPPM-GFCCVEGCSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001497220922 920269584 /nfs/dbraw/zinc/26/95/84/920269584.db2.gz OIZZOSXGAYYYGE-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001497220920 920270295 /nfs/dbraw/zinc/27/02/95/920270295.db2.gz OIZZOSXGAYYYGE-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001497220327 920271137 /nfs/dbraw/zinc/27/11/37/920271137.db2.gz POZKMDHADRPMMB-NXEZZACHSA-N 1 0 292.343 -0.959 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CSCC#N ZINC001497352642 920288158 /nfs/dbraw/zinc/28/81/58/920288158.db2.gz VJDQEFXCEOJPPF-SNVBAGLBSA-N 1 0 286.401 -0.184 20 30 CBEDRO CCN(CC[NH2+]CCS(C)(=O)=O)C(=O)[C@H](C)C#N ZINC001497361825 920294795 /nfs/dbraw/zinc/29/47/95/920294795.db2.gz JQFWDHAUTJYBFA-SNVBAGLBSA-N 1 0 275.374 -0.371 20 30 CBEDRO CCN(CC[NH2+]C[C@H](O)COC)C(=O)c1c[nH]c(C#N)c1 ZINC001497376381 920296751 /nfs/dbraw/zinc/29/67/51/920296751.db2.gz GMHAPFIPSDNZOT-ZDUSSCGKSA-N 1 0 294.355 -0.055 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)CC(C)(C)O ZINC001497378059 920297876 /nfs/dbraw/zinc/29/78/76/920297876.db2.gz VBWSHJYFYIDXDE-UHFFFAOYSA-N 1 0 283.372 -0.665 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H](O)C(C)C ZINC001497381461 920297954 /nfs/dbraw/zinc/29/79/54/920297954.db2.gz GKUUBZOELVEHQK-GFCCVEGCSA-N 1 0 284.360 -0.919 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CCNC(=O)NC ZINC001497382373 920298136 /nfs/dbraw/zinc/29/81/36/920298136.db2.gz LAOWPLVDLKCFKU-UHFFFAOYSA-N 1 0 268.361 -0.233 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)CNS(=O)(=O)CC ZINC001497398010 920300621 /nfs/dbraw/zinc/30/06/21/920300621.db2.gz SUJGRWMWSZEGSV-UHFFFAOYSA-N 1 0 289.401 -0.613 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCCC(=O)N1 ZINC001497408842 920301426 /nfs/dbraw/zinc/30/14/26/920301426.db2.gz PENOZSOLPLVCIO-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)CN(C)S(C)(=O)=O ZINC001497397652 920301608 /nfs/dbraw/zinc/30/16/08/920301608.db2.gz RVESSKOQURRJPC-UHFFFAOYSA-N 1 0 289.401 -0.661 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497436139 920305799 /nfs/dbraw/zinc/30/57/99/920305799.db2.gz IIXXGUXDPHOGBL-JTQLQIEISA-N 1 0 252.318 -0.919 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H](C)CC(N)=O ZINC001497435683 920306898 /nfs/dbraw/zinc/30/68/98/920306898.db2.gz DKCLAWZULWVHMK-GFCCVEGCSA-N 1 0 283.372 -0.414 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497440218 920308442 /nfs/dbraw/zinc/30/84/42/920308442.db2.gz ZRTRZERSAKZRKR-IMRBUKKESA-N 1 0 293.367 -0.934 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CN1CCC(=O)NC1=O ZINC001497482808 920309427 /nfs/dbraw/zinc/30/94/27/920309427.db2.gz RDMMGMBJMUPXJI-UHFFFAOYSA-N 1 0 294.355 -0.610 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1ccc(=O)n(C)n1 ZINC001497499045 920312384 /nfs/dbraw/zinc/31/23/84/920312384.db2.gz ZQEXMEGALFYEQX-UHFFFAOYSA-N 1 0 262.313 -0.535 20 30 CBEDRO CC(F)(F)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497511111 920314699 /nfs/dbraw/zinc/31/46/99/920314699.db2.gz NLMFWEPIQVGLSV-IHWYPQMZSA-N 1 0 274.271 -0.457 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)COC)C1=O ZINC001497512974 920315478 /nfs/dbraw/zinc/31/54/78/920315478.db2.gz QACWIQNSOKRDCJ-ITKZLYELSA-N 1 0 281.356 -0.318 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cnsn1 ZINC001497537914 920326349 /nfs/dbraw/zinc/32/63/49/920326349.db2.gz PFBIAPSYYQWVBF-ARJAWSKDSA-N 1 0 295.368 -0.284 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C(=O)C(C)(C)C ZINC001497549626 920335666 /nfs/dbraw/zinc/33/56/66/920335666.db2.gz SKSUJPAGXPJUIN-VOTSOKGWSA-N 1 0 293.367 -0.387 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)CCCC(=O)NC ZINC001497562477 920337007 /nfs/dbraw/zinc/33/70/07/920337007.db2.gz LKXBHKTVECNPNP-PLNGDYQASA-N 1 0 251.330 -0.202 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001497573874 920338573 /nfs/dbraw/zinc/33/85/73/920338573.db2.gz QQDVIHQHHXTHDY-SZZPACECSA-N 1 0 269.345 -0.679 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001497573873 920341818 /nfs/dbraw/zinc/34/18/18/920341818.db2.gz QQDVIHQHHXTHDY-GFUIURDCSA-N 1 0 269.345 -0.679 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001497573870 920342203 /nfs/dbraw/zinc/34/22/03/920342203.db2.gz QQDVIHQHHXTHDY-CFHLNLSMSA-N 1 0 269.345 -0.679 20 30 CBEDRO O=C(C#CC1CC1)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001497579120 920342851 /nfs/dbraw/zinc/34/28/51/920342851.db2.gz MHCVMULTVZVKSK-UPHRSURJSA-N 1 0 275.352 -0.106 20 30 CBEDRO O=C(C#CC1CC1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001497585092 920346143 /nfs/dbraw/zinc/34/61/43/920346143.db2.gz SHBKZBYXGKZNBM-UDSFMNFJSA-N 1 0 289.335 -0.533 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCO ZINC001497600660 920347727 /nfs/dbraw/zinc/34/77/27/920347727.db2.gz LKOUQCGUGNRDJX-SCOBNMCVSA-N 1 0 265.357 -0.662 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001497598361 920348873 /nfs/dbraw/zinc/34/88/73/920348873.db2.gz LRNQGZSQBYQXAL-FJOGCWAESA-N 1 0 291.351 -0.191 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CNC(=O)c1ccncc1 ZINC001497589224 920350195 /nfs/dbraw/zinc/35/01/95/920350195.db2.gz ZMVHJVJQYYEIKY-ONEGZZNKSA-N 1 0 286.335 -0.293 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)CCS(C)(=O)=O ZINC001497612483 920352622 /nfs/dbraw/zinc/35/26/22/920352622.db2.gz BAJPPHVVGZNWBU-PLNGDYQASA-N 1 0 260.359 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CBEDRO C=CCCC[N@H+]1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001499007245 920679243 /nfs/dbraw/zinc/67/92/43/920679243.db2.gz KEXGAQNVXZTVKJ-LBPRGKRZSA-N 1 0 293.371 -0.262 20 30 CBEDRO C#CCNC(=O)CN1CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001499107490 920704644 /nfs/dbraw/zinc/70/46/44/920704644.db2.gz RXPATTCRFSGTEN-ZDUSSCGKSA-N 1 0 294.399 -0.732 20 30 CBEDRO COCC#CC[NH2+]C1(CNC(=O)CNC(=O)C2CC2)CC1 ZINC001499167919 920712695 /nfs/dbraw/zinc/71/26/95/920712695.db2.gz IVURVISRTQIWER-UHFFFAOYSA-N 1 0 293.367 -0.599 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)c2cocn2)CC1 ZINC001499184353 920714962 /nfs/dbraw/zinc/71/49/62/920714962.db2.gz WCZIXODECGGLOX-JTQLQIEISA-N 1 0 290.323 -0.336 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001499183686 920715844 /nfs/dbraw/zinc/71/58/44/920715844.db2.gz ZKRQFYPSZVRBBP-VIFPVBQESA-N 1 0 295.343 -0.770 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C(=O)C(C)(C)C)CC1 ZINC001499182767 920717946 /nfs/dbraw/zinc/71/79/46/920717946.db2.gz 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20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000849328026 583477343 /nfs/dbraw/zinc/47/73/43/583477343.db2.gz VYFXHSKHDUROEY-RYUDHWBXSA-N 1 0 254.330 -0.233 20 30 CBEDRO C#CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000849396183 583479845 /nfs/dbraw/zinc/47/98/45/583479845.db2.gz VZVKNAKSZWZBIZ-GFCCVEGCSA-N 1 0 274.386 -0.224 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000850712288 583504391 /nfs/dbraw/zinc/50/43/91/583504391.db2.gz VSXVMWIWSGLXPN-ZDUSSCGKSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000851685328 583521044 /nfs/dbraw/zinc/52/10/44/583521044.db2.gz RQZWVXKEVWQJCH-WDEREUQCSA-N 1 0 281.356 -0.521 20 30 CBEDRO C#CCOCC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000851762839 583525330 /nfs/dbraw/zinc/52/53/30/583525330.db2.gz AGRWLZZJFXQPFZ-NSHDSACASA-N 1 0 275.374 -0.859 20 30 CBEDRO C#CCOCC[N@@H+](CCO)CCN1CCOCC1 ZINC000851796933 583526576 /nfs/dbraw/zinc/52/65/76/583526576.db2.gz 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/nfs/dbraw/zinc/54/83/10/583548310.db2.gz ZSFKOPVCYQOVIS-GDBMZVCRSA-N 1 0 291.395 -0.268 20 30 CBEDRO C=C[C@H](CO)[NH2+]C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852714164 583550801 /nfs/dbraw/zinc/55/08/01/583550801.db2.gz AZCPMHPSGONCRJ-YPMHNXCESA-N 1 0 250.298 -0.504 20 30 CBEDRO CC(C)NC(=O)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852804570 583553853 /nfs/dbraw/zinc/55/38/53/583553853.db2.gz DFWQPODVRAHPIF-UHFFFAOYSA-N 1 0 265.357 -0.028 20 30 CBEDRO CN(CC(=O)NC1CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852805076 583553924 /nfs/dbraw/zinc/55/39/24/583553924.db2.gz NWMTUNYKFQTGFI-UHFFFAOYSA-N 1 0 263.341 -0.274 20 30 CBEDRO COCCN(CC(=O)N(C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852814466 583555276 /nfs/dbraw/zinc/55/52/76/583555276.db2.gz MUJDVGGCSMJNIM-UHFFFAOYSA-N 1 0 295.383 -0.447 20 30 CBEDRO CCNC(=O)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852818077 583555605 /nfs/dbraw/zinc/55/56/05/583555605.db2.gz PJNFRCUGDXDWHE-UHFFFAOYSA-N 1 0 251.330 -0.416 20 30 CBEDRO CCN(CC)C(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852822509 583556163 /nfs/dbraw/zinc/55/61/63/583556163.db2.gz QOKWMNQTNAHZJX-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO CC(C)(C)n1nnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000852828239 583557579 /nfs/dbraw/zinc/55/75/79/583557579.db2.gz VZPBIIOYIYAKPU-SFYZADRCSA-N 1 0 263.305 -0.731 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000852828476 583557629 /nfs/dbraw/zinc/55/76/29/583557629.db2.gz YCOSHKJHNZHHPI-MLGHIDQZSA-N 1 0 290.367 -0.091 20 30 CBEDRO CC[C@H]1C(=O)NCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852833936 583558134 /nfs/dbraw/zinc/55/81/34/583558134.db2.gz HONBXLBZHXJTFN-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)NCCN1C(=O)CCC1=O ZINC000852839748 583558848 /nfs/dbraw/zinc/55/88/48/583558848.db2.gz DTFLALJMLOAAPV-UHFFFAOYSA-N 1 0 277.324 -0.745 20 30 CBEDRO CN1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CCC1=O ZINC000852839269 583559053 /nfs/dbraw/zinc/55/90/53/583559053.db2.gz BJHZSNBVLPSWOJ-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO COC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852842694 583559373 /nfs/dbraw/zinc/55/93/73/583559373.db2.gz FZPANESEZGQCRK-ZDUSSCGKSA-N 1 0 266.341 -0.137 20 30 CBEDRO CNC(=O)[C@H](C)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852852458 583560988 /nfs/dbraw/zinc/56/09/88/583560988.db2.gz YFNPBIOCUWRVSR-LLVKDONJSA-N 1 0 265.357 -0.170 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccnc2c1CC(=O)N2 ZINC000852875893 583566247 /nfs/dbraw/zinc/56/62/47/583566247.db2.gz SJPKWGUXYBURTB-GMSGAONNSA-N 1 0 271.280 -0.582 20 30 CBEDRO COCCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852888731 583569347 /nfs/dbraw/zinc/56/93/47/583569347.db2.gz MKAMGPSSQYZBSE-UHFFFAOYSA-N 1 0 293.367 -0.693 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893324 583570710 /nfs/dbraw/zinc/57/07/10/583570710.db2.gz NVIIZWLSBFAIFR-NGZCFLSTSA-N 1 0 253.302 -0.203 20 30 CBEDRO CCN1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC1=O ZINC000852895029 583570906 /nfs/dbraw/zinc/57/09/06/583570906.db2.gz QTIFBRZMTOAUPW-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO COC(=O)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852893982 583570926 /nfs/dbraw/zinc/57/09/26/583570926.db2.gz LKYJGZMIPMIVCO-GFCCVEGCSA-N 1 0 280.324 -0.610 20 30 CBEDRO C#C[C@H]([NH2+]CCC(=O)NC(N)=O)C1CCOCC1 ZINC000853115594 583578151 /nfs/dbraw/zinc/57/81/51/583578151.db2.gz LCYXPPPYNMXGJZ-JTQLQIEISA-N 1 0 253.302 -0.411 20 30 CBEDRO C=CCONC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000854117380 583595863 /nfs/dbraw/zinc/59/58/63/583595863.db2.gz DQMQUNNWAWOEDW-UHFFFAOYSA-N 1 0 272.349 -0.235 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352422 583599255 /nfs/dbraw/zinc/59/92/55/583599255.db2.gz CERKYKIGGYEBNT-QWHCGFSZSA-N 1 0 265.357 -0.469 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CC(=O)OCC ZINC000854539884 583606472 /nfs/dbraw/zinc/60/64/72/583606472.db2.gz PTVSOBFNCIMGFC-JTQLQIEISA-N 1 0 258.318 -0.466 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)CN1CCN(C2CC2)C1=O ZINC000854664619 583614799 /nfs/dbraw/zinc/61/47/99/583614799.db2.gz YZVGAAKJHKGTDL-UHFFFAOYSA-N 1 0 292.383 -0.042 20 30 CBEDRO C#C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000856106742 583655872 /nfs/dbraw/zinc/65/58/72/583655872.db2.gz YTRXRATZAAJQLP-CABCVRRESA-N 1 0 291.395 -0.079 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CC(=O)N(C)OCC(F)(F)F ZINC000857242097 583668502 /nfs/dbraw/zinc/66/85/02/583668502.db2.gz QKWSLERJKVXEFP-UHFFFAOYSA-N 1 0 295.261 -0.332 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000857237762 583668550 /nfs/dbraw/zinc/66/85/50/583668550.db2.gz SLUCSKUZDJCUTN-DTWKUNHWSA-N 1 0 268.317 -0.493 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000857923571 583685292 /nfs/dbraw/zinc/68/52/92/583685292.db2.gz HDOXUFOCAOJVHF-UHFFFAOYSA-N 1 0 259.313 -0.444 20 30 CBEDRO C#CC[C@@H](COC)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000858283989 583690410 /nfs/dbraw/zinc/69/04/10/583690410.db2.gz VRCXYOWZIMIGSP-KBPBESRZSA-N 1 0 296.415 -0.040 20 30 CBEDRO N#Cc1ccc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)cn1 ZINC000858533504 583697026 /nfs/dbraw/zinc/69/70/26/583697026.db2.gz TXDQNGBYYILAQC-UHFFFAOYSA-N 1 0 297.326 -0.371 20 30 CBEDRO C#CCNC(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000858811516 583702715 /nfs/dbraw/zinc/70/27/15/583702715.db2.gz BTQPVOKZEQHDFE-CYBMUJFWSA-N 1 0 288.351 -0.077 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859558092 583724655 /nfs/dbraw/zinc/72/46/55/583724655.db2.gz YMZZBHLLGHQWHJ-CYBMUJFWSA-N 1 0 268.313 -0.610 20 30 CBEDRO C#CCOCC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000859593596 583725295 /nfs/dbraw/zinc/72/52/95/583725295.db2.gz UQGCVGVNHRYCSK-UHFFFAOYSA-N 1 0 277.328 -0.336 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000860165763 583740507 /nfs/dbraw/zinc/74/05/07/583740507.db2.gz BMALMWIZBYGTRI-MXWKQRLJSA-N 1 0 250.298 -0.122 20 30 CBEDRO C#Cc1cccc(NC(=O)C(=O)NCCOCC[NH2+]C)c1 ZINC000861517261 583769087 /nfs/dbraw/zinc/76/90/87/583769087.db2.gz IYURDFFPYDEVKE-UHFFFAOYSA-N 1 0 289.335 -0.041 20 30 CBEDRO C#C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CCCO1 ZINC000861616631 583772526 /nfs/dbraw/zinc/77/25/26/583772526.db2.gz BGYFRZAPHFTNOW-RYUDHWBXSA-N 1 0 269.345 -0.168 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)NCCOCC[NH2+]C ZINC000861675606 583776929 /nfs/dbraw/zinc/77/69/29/583776929.db2.gz HKGATSXCLFAXJD-LLVKDONJSA-N 1 0 255.318 -0.734 20 30 CBEDRO N#C[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCN1C1CC1 ZINC000861681667 583777330 /nfs/dbraw/zinc/77/73/30/583777330.db2.gz KDDBRYUQUMLOBY-AAEUAGOBSA-N 1 0 293.371 -0.643 20 30 CBEDRO N#C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CCN1C1CC1 ZINC000861705200 583779721 /nfs/dbraw/zinc/77/97/21/583779721.db2.gz AAAAANFLMYVSAA-PWSUYJOCSA-N 1 0 263.345 -0.270 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861710985 583780216 /nfs/dbraw/zinc/78/02/16/583780216.db2.gz FCHLGGSTCQNBFK-QWHCGFSZSA-N 1 0 266.341 -0.306 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861730479 583781994 /nfs/dbraw/zinc/78/19/94/583781994.db2.gz WXFCKTKAWPQHCH-UTUOFQBUSA-N 1 0 283.372 -0.111 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[C@@H]1CCCO1 ZINC000861752281 583784003 /nfs/dbraw/zinc/78/40/03/583784003.db2.gz DNKYMBVHBZCJRH-LOWDOPEQSA-N 1 0 293.367 -0.460 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[C@H]1CCCO1 ZINC000861752201 583784046 /nfs/dbraw/zinc/78/40/46/583784046.db2.gz AMJHZFOOPFXOBX-QNWHQSFQSA-N 1 0 293.367 -0.460 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H]1CCCO1 ZINC000861753027 583784191 /nfs/dbraw/zinc/78/41/91/583784191.db2.gz RORPNTYCRCIMGS-VWYCJHECSA-N 1 0 267.329 -0.911 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CCCO1 ZINC000861753146 583784220 /nfs/dbraw/zinc/78/42/20/583784220.db2.gz UIVNLAFLUFPFCV-NNYUYHANSA-N 1 0 279.340 -0.850 20 30 CBEDRO C=C(Br)CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861813603 583788365 /nfs/dbraw/zinc/78/83/65/583788365.db2.gz XEKHONNFYBMSQP-JGVFFNPUSA-N 1 0 290.161 -0.122 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCOC(=O)N1 ZINC000861839085 583789190 /nfs/dbraw/zinc/78/91/90/583789190.db2.gz TYXPNQDPGUCZSQ-SNVBAGLBSA-N 1 0 253.302 -0.444 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000862639016 583812501 /nfs/dbraw/zinc/81/25/01/583812501.db2.gz XSRYLBGDWIMKOI-NSHDSACASA-N 1 0 284.360 -0.739 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)[C@@H]2CCCO2)CC1 ZINC000862651980 583814125 /nfs/dbraw/zinc/81/41/25/583814125.db2.gz RPUYENSGAGRWOH-KBPBESRZSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)CC(=O)OC)CC1 ZINC000863014748 583830727 /nfs/dbraw/zinc/83/07/27/583830727.db2.gz COGBSYRMAXOZBO-GFCCVEGCSA-N 1 0 282.340 -0.628 20 30 CBEDRO COC(=O)CCC[NH+]1CCC(N=NC2=NCC(=O)N2)CC1 ZINC000863175071 583833213 /nfs/dbraw/zinc/83/32/13/583833213.db2.gz QEEOVYNVOXSLQW-UHFFFAOYSA-N 1 0 295.343 -0.533 20 30 CBEDRO COC(=O)CC[NH+]1CCC(=Nn2ccc(=O)[nH]c2=O)CC1 ZINC000863184707 583833434 /nfs/dbraw/zinc/83/34/34/583833434.db2.gz HICSHANZWVHJQG-UHFFFAOYSA-N 1 0 294.311 -0.188 20 30 CBEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000863589257 583847870 /nfs/dbraw/zinc/84/78/70/583847870.db2.gz LHBBGLUURRETPA-CHWSQXEVSA-N 1 0 253.346 -0.179 20 30 CBEDRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000863587489 583847975 /nfs/dbraw/zinc/84/79/75/583847975.db2.gz XRYBFPIWIXBTID-GHMZBOCLSA-N 1 0 272.349 -0.809 20 30 CBEDRO C#CC[C@H](COC)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000863800155 583857417 /nfs/dbraw/zinc/85/74/17/583857417.db2.gz YSBJEALVFXTPQC-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000863831048 583858926 /nfs/dbraw/zinc/85/89/26/583858926.db2.gz FXQJJTJJFGIZHQ-LBPRGKRZSA-N 1 0 259.309 -0.141 20 30 CBEDRO CCNC(NC[C@]12COCCN1C(=O)COC2)=[NH+]CC ZINC000864358395 583881005 /nfs/dbraw/zinc/88/10/05/583881005.db2.gz XTNZPWBISBNRCM-CYBMUJFWSA-N 1 0 284.360 -0.811 20 30 CBEDRO C#CCN(CC#C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866901476 583936167 /nfs/dbraw/zinc/93/61/67/583936167.db2.gz GIPWFZFFQHYXAV-UHFFFAOYSA-N 1 0 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C=C(CC[NH+](C)C)C(=O)N1CCN(CC(N)=O)CC1 ZINC000900400620 584803142 /nfs/dbraw/zinc/80/31/42/584803142.db2.gz ICMSQERHBVVGJV-UHFFFAOYSA-N 1 0 268.361 -0.876 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000900447286 584804901 /nfs/dbraw/zinc/80/49/01/584804901.db2.gz WOUWGCZMEDUFRQ-SNVBAGLBSA-N 1 0 255.318 -0.793 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000900686504 584821548 /nfs/dbraw/zinc/82/15/48/584821548.db2.gz MGZUZMNRSZPHGG-UHFFFAOYSA-N 1 0 296.415 -0.225 20 30 CBEDRO COC(=O)CN(CC#N)C(=O)C[N@H+](C)C1CCC1 ZINC000900770914 584826301 /nfs/dbraw/zinc/82/63/01/584826301.db2.gz LYZSVFLZWWNLOL-UHFFFAOYSA-N 1 0 253.302 -0.004 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000900956229 584835269 /nfs/dbraw/zinc/83/52/69/584835269.db2.gz WJQVLCYYIHQWBI-SNVBAGLBSA-N 1 0 280.328 -0.743 20 30 CBEDRO C#CCN(Cn1nc(COC)oc1=O)C1CC[NH+](C)CC1 ZINC000902540644 584878224 /nfs/dbraw/zinc/87/82/24/584878224.db2.gz TWHFUUOIYNVPJW-UHFFFAOYSA-N 1 0 294.355 -0.030 20 30 CBEDRO C#CCN1CCC[C@H](NC(=O)c2nc(COC)nn2C)C1 ZINC000902730906 584883258 /nfs/dbraw/zinc/88/32/58/584883258.db2.gz UZNXYMMBACHVSO-NSHDSACASA-N 1 0 291.355 -0.211 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)nc1 ZINC000903483990 584891263 /nfs/dbraw/zinc/89/12/63/584891263.db2.gz RLENAMOZPSYFQD-VIFPVBQESA-N 1 0 252.299 -0.407 20 30 CBEDRO N#Cc1sccc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000903489753 584891403 /nfs/dbraw/zinc/89/14/03/584891403.db2.gz DEBRBEHXUWBYHX-MRVPVSSYSA-N 1 0 287.366 -0.032 20 30 CBEDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000903486420 584891421 /nfs/dbraw/zinc/89/14/21/584891421.db2.gz PZQYSVQJZIGLOI-JTQLQIEISA-N 1 0 266.326 -0.064 20 30 CBEDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C#N)cn1 ZINC000903511983 584892229 /nfs/dbraw/zinc/89/22/29/584892229.db2.gz HGUQVNFOMZTENX-UHFFFAOYSA-N 1 0 298.368 -0.190 20 30 CBEDRO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)N(C)CCC#N ZINC000903540573 584892777 /nfs/dbraw/zinc/89/27/77/584892777.db2.gz WZNDTMYKRUCMEH-ZJUUUORDSA-N 1 0 260.363 -0.478 20 30 CBEDRO CC1(C)CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@@H]1[NH3+] ZINC000903791971 584899835 /nfs/dbraw/zinc/89/98/35/584899835.db2.gz MPGIOKZVGUSDHG-IINYFYTJSA-N 1 0 278.356 -0.056 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903862976 584902524 /nfs/dbraw/zinc/90/25/24/584902524.db2.gz HYWSRQUBLMUHRR-ZDUSSCGKSA-N 1 0 266.345 -0.174 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)Cn3cnnn3)C2)C1 ZINC000963535990 612954434 /nfs/dbraw/zinc/95/44/34/612954434.db2.gz FJVOXGUDFQECHD-UHFFFAOYSA-N 1 0 274.328 -0.677 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC000964750574 612954718 /nfs/dbraw/zinc/95/47/18/612954718.db2.gz ABEKFNWZDZBGFS-FHDAHWDNSA-N 1 0 276.340 -0.682 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000981394158 612957291 /nfs/dbraw/zinc/95/72/91/612957291.db2.gz YMGNAGAVYSBEPH-GHMZBOCLSA-N 1 0 292.339 -0.812 20 30 CBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000971120464 613084642 /nfs/dbraw/zinc/08/46/42/613084642.db2.gz MANNEPIRLDJEHH-VXGBXAGGSA-N 1 0 252.314 -0.432 20 30 CBEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC000971379986 613093252 /nfs/dbraw/zinc/09/32/52/613093252.db2.gz RUJOPGTZPJKQLX-QWHCGFSZSA-N 1 0 265.357 -0.517 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000981024086 612958744 /nfs/dbraw/zinc/95/87/44/612958744.db2.gz FVVBXQBRFFZTIQ-MNOVXSKESA-N 1 0 277.328 -0.366 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000970451252 612962854 /nfs/dbraw/zinc/96/28/54/612962854.db2.gz NPGYMGWRIDAHBX-NEPJUHHUSA-N 1 0 278.356 -0.257 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC000981671836 617287696 /nfs/dbraw/zinc/28/76/96/617287696.db2.gz KAZKBBNRHNVNBI-NWDGAFQWSA-N 1 0 290.367 -0.041 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)Cn3ncnn3)C2)C1 ZINC000963800213 612954391 /nfs/dbraw/zinc/95/43/91/612954391.db2.gz GMLNWWJRXAUKIP-UHFFFAOYSA-N 1 0 274.328 -0.677 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC000981025768 612958522 /nfs/dbraw/zinc/95/85/22/612958522.db2.gz BUDOVVKLDGISSX-KGLIPLIRSA-N 1 0 279.384 -0.031 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC000969013430 612961136 /nfs/dbraw/zinc/96/11/36/612961136.db2.gz UFJRYNCMNNUWHX-VXGBXAGGSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000969271641 612961182 /nfs/dbraw/zinc/96/11/82/612961182.db2.gz WALNDRBUYCITEB-VXGBXAGGSA-N 1 0 263.341 -0.131 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nc(C)ccc2=O)C1 ZINC000970540487 612962147 /nfs/dbraw/zinc/96/21/47/612962147.db2.gz NFHRBLJMXIDKLN-GFCCVEGCSA-N 1 0 274.324 -0.625 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000968892576 612962584 /nfs/dbraw/zinc/96/25/84/612962584.db2.gz CJBQWIMZVAQLSA-NEPJUHHUSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000970038991 612962680 /nfs/dbraw/zinc/96/26/80/612962680.db2.gz YALZQSUOGDHDNY-VXGBXAGGSA-N 1 0 288.355 -0.551 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC000969705599 612962748 /nfs/dbraw/zinc/96/27/48/612962748.db2.gz YABJWCAYQICDMZ-KGLIPLIRSA-N 1 0 279.384 -0.081 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000969250781 612962753 /nfs/dbraw/zinc/96/27/53/612962753.db2.gz YJLHQWMXYKECSE-VXGBXAGGSA-N 1 0 278.356 -0.399 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC000970242141 612963165 /nfs/dbraw/zinc/96/31/65/612963165.db2.gz UIQUHTPSNFFZLI-DGCLKSJQSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC000970602369 612963229 /nfs/dbraw/zinc/96/32/29/612963229.db2.gz BEMKWWHITNQKOA-VXGBXAGGSA-N 1 0 263.341 -0.179 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000968842639 612963361 /nfs/dbraw/zinc/96/33/61/612963361.db2.gz VALXNGGTGDOVMV-QWHCGFSZSA-N 1 0 293.367 -0.695 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC000969429386 612963687 /nfs/dbraw/zinc/96/36/87/612963687.db2.gz OQXYENZRJAYETK-QWHCGFSZSA-N 1 0 287.367 -0.027 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 ZINC000969145901 612963740 /nfs/dbraw/zinc/96/37/40/612963740.db2.gz UHRVBNIQNGCFQO-CHWSQXEVSA-N 1 0 265.357 -0.469 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000970608041 612963816 /nfs/dbraw/zinc/96/38/16/612963816.db2.gz KKXJHQQSPIVUNY-CHWSQXEVSA-N 1 0 279.340 -0.943 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc(N(C)C)cn2)C1 ZINC000968667097 612967035 /nfs/dbraw/zinc/96/70/35/612967035.db2.gz KVLCPVYCYVKSHU-LLVKDONJSA-N 1 0 273.340 -0.020 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc(OC)nc2)C1 ZINC000970397502 612967174 /nfs/dbraw/zinc/96/71/74/612967174.db2.gz HINFQFFQLZHBDR-LLVKDONJSA-N 1 0 260.297 -0.078 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC000969292735 612967192 /nfs/dbraw/zinc/96/71/92/612967192.db2.gz KCGNYHPNVSRRQK-LLVKDONJSA-N 1 0 259.309 -0.177 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC000970261304 612967280 /nfs/dbraw/zinc/96/72/80/612967280.db2.gz BNSIMHAXDXSJEZ-LLVKDONJSA-N 1 0 299.334 -0.232 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC000969054550 612967887 /nfs/dbraw/zinc/96/78/87/612967887.db2.gz UEBXBNBICNBODA-LLVKDONJSA-N 1 0 274.324 -0.176 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000970670638 612968185 /nfs/dbraw/zinc/96/81/85/612968185.db2.gz LEGBWFOLZRQGBB-SECBINFHSA-N 1 0 273.296 -0.987 20 30 CBEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC000981115710 612971956 /nfs/dbraw/zinc/97/19/56/612971956.db2.gz RUASNOLRKUBHPM-NWDGAFQWSA-N 1 0 261.329 -0.072 20 30 CBEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000981276564 612972949 /nfs/dbraw/zinc/97/29/49/612972949.db2.gz QARJWWOSOSLCRJ-VHSXEESVSA-N 1 0 262.317 -0.526 20 30 CBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969878364 612994682 /nfs/dbraw/zinc/99/46/82/612994682.db2.gz QLBCMYFJNWTGGT-LLVKDONJSA-N 1 0 288.351 -0.146 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCNC2=O)C1 ZINC000970269961 612996987 /nfs/dbraw/zinc/99/69/87/612996987.db2.gz FBYJUPRXJPSOPB-JQWIXIFHSA-N 1 0 263.341 -0.418 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000969409983 612996997 /nfs/dbraw/zinc/99/69/97/612996997.db2.gz NCHLIJWUFRNOTA-CMPLNLGQSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000970343347 612997051 /nfs/dbraw/zinc/99/70/51/612997051.db2.gz JUQOCLWRCOUGHF-JTQLQIEISA-N 1 0 274.324 -0.157 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969616696 612998564 /nfs/dbraw/zinc/99/85/64/612998564.db2.gz NPRRTBPUXVITOT-JTQLQIEISA-N 1 0 261.329 -0.112 20 30 CBEDRO C#CCC[N@H+]1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000981345255 613002349 /nfs/dbraw/zinc/00/23/49/613002349.db2.gz QALYQTMPZYRBTJ-UHFFFAOYSA-N 1 0 293.367 -0.597 20 30 CBEDRO C#CCC[N@H+]1CCCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000981014727 613005025 /nfs/dbraw/zinc/00/50/25/613005025.db2.gz SJFMQCFLRDFXNF-CQSZACIVSA-N 1 0 279.384 -0.125 20 30 CBEDRO C#CCC[N@H+]1CCCN(C(=O)c2cnnn2C)CC1 ZINC000981070480 613006798 /nfs/dbraw/zinc/00/67/98/613006798.db2.gz SVUTWYXYJLGGOF-UHFFFAOYSA-N 1 0 261.329 -0.014 20 30 CBEDRO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970512095 613008576 /nfs/dbraw/zinc/00/85/76/613008576.db2.gz WBCKUNJTLQYEGE-GFCCVEGCSA-N 1 0 289.335 -0.110 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC000964966593 613015198 /nfs/dbraw/zinc/01/51/98/613015198.db2.gz PPGDGKUBMJSMFR-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](C)C1 ZINC000941792781 613018207 /nfs/dbraw/zinc/01/82/07/613018207.db2.gz AKOHISKBCSYXAK-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000942562796 613030653 /nfs/dbraw/zinc/03/06/53/613030653.db2.gz RAJWXONMOFNJCQ-QWRGUYRKSA-N 1 0 276.344 -0.326 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC000958165583 613033500 /nfs/dbraw/zinc/03/35/00/613033500.db2.gz XHJNTJXOOVEOTJ-WDEREUQCSA-N 1 0 292.339 -0.530 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC000958299959 613033508 /nfs/dbraw/zinc/03/35/08/613033508.db2.gz JABMJJMXRSQDMD-WCQYABFASA-N 1 0 276.340 -0.236 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC000958335319 613033527 /nfs/dbraw/zinc/03/35/27/613033527.db2.gz VFBCDYYJGZXNJV-QWHCGFSZSA-N 1 0 290.367 -0.226 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958320654 613033895 /nfs/dbraw/zinc/03/38/95/613033895.db2.gz QIHHXCKWIAPXCZ-CMPLNLGQSA-N 1 0 292.339 -0.829 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC000957897381 613033923 /nfs/dbraw/zinc/03/39/23/613033923.db2.gz HQZNQHZUESGUFU-NWDGAFQWSA-N 1 0 262.313 -0.545 20 30 CBEDRO 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/nfs/dbraw/zinc/27/49/01/814274901.db2.gz RQGVNLUSEJSMAT-UHFFFAOYSA-N 1 0 286.335 -0.339 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1occc1C ZINC001133587099 814275718 /nfs/dbraw/zinc/27/57/18/814275718.db2.gz PPXXRHQJCCAZLY-LBPRGKRZSA-N 1 0 291.351 -0.026 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@H]2CCCNC2=O)c1 ZINC001133592992 814275926 /nfs/dbraw/zinc/27/59/26/814275926.db2.gz JDZCSDOLIREQLX-ZDUSSCGKSA-N 1 0 286.335 -0.339 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCOC ZINC001134817143 814414696 /nfs/dbraw/zinc/41/46/96/814414696.db2.gz OCQWHIBERMUZNP-GFCCVEGCSA-N 1 0 271.361 -0.191 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133835124 814305799 /nfs/dbraw/zinc/30/57/99/814305799.db2.gz GQFYZEVSJXWKQZ-NXEZZACHSA-N 1 0 260.359 -0.463 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134427281 814384794 /nfs/dbraw/zinc/38/47/94/814384794.db2.gz NDWQTHORIQTAJC-QWRGUYRKSA-N 1 0 286.397 -0.073 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001134441221 814385117 /nfs/dbraw/zinc/38/51/17/814385117.db2.gz ZZNMOMKLDPHGCM-UWVGGRQHSA-N 1 0 272.370 -0.463 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134640875 814403213 /nfs/dbraw/zinc/40/32/13/814403213.db2.gz ODEJWEXOFSSPAG-ZDUSSCGKSA-N 1 0 284.356 -0.605 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(CC)on1 ZINC001148321712 814937865 /nfs/dbraw/zinc/93/78/65/814937865.db2.gz GEJLYLPQJPOGCS-UHFFFAOYSA-N 1 0 278.312 -0.694 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134644972 814403416 /nfs/dbraw/zinc/40/34/16/814403416.db2.gz XECZMVOAYCZMDP-LLVKDONJSA-N 1 0 272.370 -0.460 20 30 CBEDRO CN1CC[NH+](CCC(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001143231346 814765396 /nfs/dbraw/zinc/76/53/96/814765396.db2.gz MAVRWONSRAIAEC-LBPRGKRZSA-N 1 0 266.345 -0.625 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)n1ccc(C[NH3+])cc1=N ZINC001144417325 814776061 /nfs/dbraw/zinc/77/60/61/814776061.db2.gz QJIJBRAOTFJVMW-VIFPVBQESA-N 1 0 268.342 -0.499 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001144409134 814776141 /nfs/dbraw/zinc/77/61/41/814776141.db2.gz HOVWBEUXEQKMQL-SDDRHHMPSA-N 1 0 285.413 -0.027 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(CC)on1 ZINC001148315983 814938531 /nfs/dbraw/zinc/93/85/31/814938531.db2.gz FGUXTCGAGJOOGI-JTQLQIEISA-N 1 0 292.339 -0.306 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(C)C)cn1 ZINC001148383117 814940858 /nfs/dbraw/zinc/94/08/58/814940858.db2.gz SWYKHPHVYWVIEE-UHFFFAOYSA-N 1 0 288.351 -0.093 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)nc1 ZINC001148376891 814940979 /nfs/dbraw/zinc/94/09/79/814940979.db2.gz OUDACNZUEXHRNL-NSHDSACASA-N 1 0 274.324 -0.354 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC)nc1 ZINC001148370240 814941396 /nfs/dbraw/zinc/94/13/96/814941396.db2.gz PFYDEFSUDSNHLE-UHFFFAOYSA-N 1 0 274.324 -0.482 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)nc1 ZINC001148370301 814941882 /nfs/dbraw/zinc/94/18/82/814941882.db2.gz RNUOFIKQDBPEAV-UHFFFAOYSA-N 1 0 285.307 -0.978 20 30 CBEDRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)n1cccc1 ZINC001148390026 814942264 /nfs/dbraw/zinc/94/22/64/814942264.db2.gz ZYCXDCTYHOESGO-LBPRGKRZSA-N 1 0 291.355 -0.215 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H](CC(C)C)NC(C)=O ZINC001148472333 814947096 /nfs/dbraw/zinc/94/70/96/814947096.db2.gz HKBHBENGRXWENS-LBPRGKRZSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)C(=O)NCC3CC3)C2)C1 ZINC001148512410 814947303 /nfs/dbraw/zinc/94/73/03/814947303.db2.gz ULYJZMJJZPPHJR-UHFFFAOYSA-N 1 0 275.352 -0.320 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001148512083 814947377 /nfs/dbraw/zinc/94/73/77/814947377.db2.gz PXFPTMOFVPGSOS-UHFFFAOYSA-N 1 0 294.742 -0.196 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C1(C(=O)NC)CCC1 ZINC001148629742 814952543 /nfs/dbraw/zinc/95/25/43/814952543.db2.gz UGTIMSQHFQNSJU-UHFFFAOYSA-N 1 0 283.372 -0.189 20 30 CBEDRO CC[C@@H](OC)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321468333 803770626 /nfs/dbraw/zinc/77/06/26/803770626.db2.gz KRFBHWCDYLROGP-NXEZZACHSA-N 1 0 270.333 -0.855 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CSC ZINC001321479606 803771922 /nfs/dbraw/zinc/77/19/22/803771922.db2.gz SWNKEDDOABFAGF-GHMZBOCLSA-N 1 0 285.413 -0.171 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001321500902 803775807 /nfs/dbraw/zinc/77/58/07/803775807.db2.gz YIUZUYDAZYZZLQ-GRYCIOLGSA-N 1 0 283.372 -0.765 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC(C)(C)C ZINC001321514467 803777913 /nfs/dbraw/zinc/77/79/13/803777913.db2.gz VXAQAZBMFOIJFS-SECBINFHSA-N 1 0 282.344 -0.675 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001321512477 803778606 /nfs/dbraw/zinc/77/86/06/803778606.db2.gz ZKVLVGUVKSXUMX-GHMZBOCLSA-N 1 0 279.340 -0.455 20 30 CBEDRO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C#CC1CC1)C(N)=O ZINC001321510605 803778747 /nfs/dbraw/zinc/77/87/47/803778747.db2.gz GPWMHMSPUHXTLE-MWLCHTKSSA-N 1 0 251.330 -0.242 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCC(F)F ZINC001321588489 803787032 /nfs/dbraw/zinc/78/70/32/803787032.db2.gz KULRDTTWQUQSAL-MRVPVSSYSA-N 1 0 276.287 -0.234 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnco1 ZINC001321604810 803790021 /nfs/dbraw/zinc/79/00/21/803790021.db2.gz MMZJXAWYIQJCFY-NXEZZACHSA-N 1 0 278.312 -0.480 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccnnc1 ZINC001321655746 803797591 /nfs/dbraw/zinc/79/75/91/803797591.db2.gz ZSYITNOWWGRKQI-GHMZBOCLSA-N 1 0 289.339 -0.678 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC001149054074 814966458 /nfs/dbraw/zinc/96/64/58/814966458.db2.gz FVKWQADTAWEVHT-OLZOCXBDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001321672548 803799239 /nfs/dbraw/zinc/79/92/39/803799239.db2.gz IGLNUVZPMXDBTM-SECBINFHSA-N 1 0 279.344 -0.272 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+][C@@H]2CCNC2=O)cn1 ZINC001321713366 803805229 /nfs/dbraw/zinc/80/52/29/803805229.db2.gz NKODYKQAONZBMX-ZWNOBZJWSA-N 1 0 286.335 -0.341 20 30 CBEDRO CCC[C@@H](NC(N)=O)C(=O)NCC[NH2+]CC#CCOC ZINC001149095272 814967727 /nfs/dbraw/zinc/96/77/27/814967727.db2.gz YNPBJSIMRGOVKY-LLVKDONJSA-N 1 0 284.360 -0.821 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccc(C)nc1 ZINC001321790521 803814271 /nfs/dbraw/zinc/81/42/71/803814271.db2.gz VCIOYBICQDXJFV-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001321814537 803819723 /nfs/dbraw/zinc/81/97/23/803819723.db2.gz PONOBQZNONEMLX-ZJUUUORDSA-N 1 0 280.328 -0.611 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001321814236 803820010 /nfs/dbraw/zinc/82/00/10/803820010.db2.gz NVZRRQXIWISYAN-VHSXEESVSA-N 1 0 291.355 -0.436 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001321832058 803823954 /nfs/dbraw/zinc/82/39/54/803823954.db2.gz SHEPWPREYHUOLS-SMDDNHRTSA-N 1 0 298.387 -0.567 20 30 CBEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001321861311 803829898 /nfs/dbraw/zinc/82/98/98/803829898.db2.gz YKMXFKCFGHZELC-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001321869381 803830786 /nfs/dbraw/zinc/83/07/86/803830786.db2.gz GFPRVNAQBBOCPP-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001321958269 803844030 /nfs/dbraw/zinc/84/40/30/803844030.db2.gz YVBBOAHFZCDNAL-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149123076 814970672 /nfs/dbraw/zinc/97/06/72/814970672.db2.gz BELRVGRRVWGKMY-LLVKDONJSA-N 1 0 284.360 -0.562 20 30 CBEDRO C#Cc1ccccc1CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001149117899 814970904 /nfs/dbraw/zinc/97/09/04/814970904.db2.gz XFKLCZKSAHYPAK-HNNXBMFYSA-N 1 0 290.363 -0.077 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149114293 814970965 /nfs/dbraw/zinc/97/09/65/814970965.db2.gz ZMISTIFWJKJFEM-CYBMUJFWSA-N 1 0 295.383 -0.209 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCn1cccc1 ZINC001322033675 803853050 /nfs/dbraw/zinc/85/30/50/803853050.db2.gz XJORLSLONAFNJD-ZDUSSCGKSA-N 1 0 290.367 -0.278 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001322117860 803860423 /nfs/dbraw/zinc/86/04/23/803860423.db2.gz ZCWIHVAQFWKQEZ-LBPRGKRZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001322115785 803860707 /nfs/dbraw/zinc/86/07/07/803860707.db2.gz BKVMPSLLLXXRPS-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C1=COCCO1 ZINC001322110267 803860958 /nfs/dbraw/zinc/86/09/58/803860958.db2.gz NTHJNICOVZNVJG-GFCCVEGCSA-N 1 0 282.340 -0.039 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001322136264 803866213 /nfs/dbraw/zinc/86/62/13/803866213.db2.gz RUQUOOXWUQMTFD-CHWSQXEVSA-N 1 0 267.373 -0.223 20 30 CBEDRO C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C#CC1CC1 ZINC001322157972 803868132 /nfs/dbraw/zinc/86/81/32/803868132.db2.gz RYYNNNKFUGXYCV-GFCCVEGCSA-N 1 0 292.383 -0.139 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001322145405 803868913 /nfs/dbraw/zinc/86/89/13/803868913.db2.gz QMCJKZZGZODSNB-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001322194310 803872391 /nfs/dbraw/zinc/87/23/91/803872391.db2.gz QWIDIQSWUDCAIY-NSHDSACASA-N 1 0 279.344 -0.958 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001322258160 803881330 /nfs/dbraw/zinc/88/13/30/803881330.db2.gz LBTPSQNWSQLRTN-WDEREUQCSA-N 1 0 289.401 -0.616 20 30 CBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1ccc[nH]1 ZINC001322409062 803892692 /nfs/dbraw/zinc/89/26/92/803892692.db2.gz PGIWIHSHSQQUDR-UHFFFAOYSA-N 1 0 277.328 -0.294 20 30 CBEDRO COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001322530131 803906215 /nfs/dbraw/zinc/90/62/15/803906215.db2.gz DBJIFLJGEPQPJN-ZDUSSCGKSA-N 1 0 295.383 -0.447 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C1(C)CC1 ZINC001322517598 803906473 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CCO[C@H](CC)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155329528 815277611 /nfs/dbraw/zinc/27/76/11/815277611.db2.gz UAAIMBIPLVMUFH-LLVKDONJSA-N 1 0 284.360 -0.463 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)COC(C)C ZINC001155383633 815280940 /nfs/dbraw/zinc/28/09/40/815280940.db2.gz JATKPCDJIZIDMP-UHFFFAOYSA-N 1 0 271.361 -0.191 20 30 CBEDRO Cc1ncc(C#N)c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001155394465 815282201 /nfs/dbraw/zinc/28/22/01/815282201.db2.gz VKQGYSPHUWXCIG-UHFFFAOYSA-N 1 0 284.327 -0.225 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)OCCC=C ZINC001155426392 815282602 /nfs/dbraw/zinc/28/26/02/815282602.db2.gz AVWLYNRNBSJFAQ-CYBMUJFWSA-N 1 0 295.383 -0.187 20 30 CBEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001155451194 815285930 /nfs/dbraw/zinc/28/59/30/815285930.db2.gz GAZPWEFTZRESPJ-GHMZBOCLSA-N 1 0 289.401 -0.616 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCOC1 ZINC001155462161 815286047 /nfs/dbraw/zinc/28/60/47/815286047.db2.gz MEPPJFHDCSABFK-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO Cc1cc(N[C@@H]2COCCC23C[NH2+]C3)nc(C#N)n1 ZINC001155470707 815287018 /nfs/dbraw/zinc/28/70/18/815287018.db2.gz VZPXTVSYTKSOMK-SNVBAGLBSA-N 1 0 259.313 -0.131 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)OC ZINC001155492660 815288037 /nfs/dbraw/zinc/28/80/37/815288037.db2.gz NPVVOZACFAWDKT-LLVKDONJSA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccnn1C ZINC001155505473 815289271 /nfs/dbraw/zinc/28/92/71/815289271.db2.gz SGQXPKYBXFRLBF-NSHDSACASA-N 1 0 291.355 -0.733 20 30 CBEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001155509312 815289393 /nfs/dbraw/zinc/28/93/93/815289393.db2.gz DWYVADWLOOOZCS-MNOVXSKESA-N 1 0 296.371 -0.013 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)OC ZINC001155505309 815289423 /nfs/dbraw/zinc/28/94/23/815289423.db2.gz RXJMZZBQQNBSPL-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CCCCOC ZINC001155510758 815289437 /nfs/dbraw/zinc/28/94/37/815289437.db2.gz 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/nfs/dbraw/zinc/29/44/06/815294406.db2.gz QZXALHHDADSAPS-GWCFXTLKSA-N 1 0 273.296 -0.048 20 30 CBEDRO COc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc1C#N ZINC001155571169 815295164 /nfs/dbraw/zinc/29/51/64/815295164.db2.gz RHGGTVGXFPKTSQ-UFBFGSQYSA-N 1 0 274.284 -0.653 20 30 CBEDRO Cc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c(C#N)n1 ZINC001155574260 815296399 /nfs/dbraw/zinc/29/63/99/815296399.db2.gz FXGIFCYWHFYSNS-SKDRFNHKSA-N 1 0 258.285 -0.353 20 30 CBEDRO Cc1nc(C#N)cnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001155575647 815296985 /nfs/dbraw/zinc/29/69/85/815296985.db2.gz NHNLLQDBIAWEOO-JOYOIKCWSA-N 1 0 258.285 -0.353 20 30 CBEDRO C=CCCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001155593597 815299404 /nfs/dbraw/zinc/29/94/04/815299404.db2.gz LXMMWNBQIKHEPY-SECBINFHSA-N 1 0 270.333 -0.368 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001155627547 815301881 /nfs/dbraw/zinc/30/18/81/815301881.db2.gz NVWGZSBCAKQYPN-WDEREUQCSA-N 1 0 252.314 -0.085 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCOC1 ZINC001155636009 815302702 /nfs/dbraw/zinc/30/27/02/815302702.db2.gz NYRSCKPGAZBSFV-GFCCVEGCSA-N 1 0 281.356 -0.742 20 30 CBEDRO CCOCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001155643588 815302767 /nfs/dbraw/zinc/30/27/67/815302767.db2.gz FAOWFFRCPAEJDD-UHFFFAOYSA-N 1 0 270.333 -0.851 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)COC ZINC001155689032 815305183 /nfs/dbraw/zinc/30/51/83/815305183.db2.gz CKHCEBMYJOZWAE-LLVKDONJSA-N 1 0 271.361 -0.333 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001155707599 815307086 /nfs/dbraw/zinc/30/70/86/815307086.db2.gz NMUYTDMMCMUSIS-LLVKDONJSA-N 1 0 260.334 -0.708 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cocn1 ZINC001155724642 815307346 /nfs/dbraw/zinc/30/73/46/815307346.db2.gz CFJXEPATUKHDJT-SNVBAGLBSA-N 1 0 278.312 -0.478 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC=C ZINC001155731644 815308081 /nfs/dbraw/zinc/30/80/81/815308081.db2.gz DUDLXHUXXWRQBU-GFCCVEGCSA-N 1 0 281.356 -0.577 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001155836589 815315946 /nfs/dbraw/zinc/31/59/46/815315946.db2.gz QLCXLWJJOFOTAV-VIFPVBQESA-N 1 0 250.306 -0.429 20 30 CBEDRO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C#N)c1nnnn1C ZINC001155841601 815316685 /nfs/dbraw/zinc/31/66/85/815316685.db2.gz GCPYTKZRBDWEJT-DTWKUNHWSA-N 1 0 265.321 -0.473 20 30 CBEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CN1CC(=O)NC1=O ZINC001155877665 815318531 /nfs/dbraw/zinc/31/85/31/815318531.db2.gz DMDVTIJSPUBOAQ-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)C#N ZINC001155860167 815318667 /nfs/dbraw/zinc/31/86/67/815318667.db2.gz AXIHVEFWSUJVNY-NEPJUHHUSA-N 1 0 298.387 -0.217 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C#N ZINC001155854700 815318779 /nfs/dbraw/zinc/31/87/79/815318779.db2.gz LPPVJBMOGHNDQU-WDEREUQCSA-N 1 0 264.329 -0.620 20 30 CBEDRO Cc1cc(CC(=O)NCCC[NH2+]CC(=O)NCC#N)no1 ZINC001155919381 815321114 /nfs/dbraw/zinc/32/11/14/815321114.db2.gz LRPCNYYUFYRYOU-UHFFFAOYSA-N 1 0 293.327 -0.739 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1nccnc1N ZINC001155946498 815324202 /nfs/dbraw/zinc/32/42/02/815324202.db2.gz PNRWBDGOFOCUOR-UHFFFAOYSA-N 1 0 277.328 -0.582 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1cn(C)nc1C ZINC001155894994 815320404 /nfs/dbraw/zinc/32/04/04/815320404.db2.gz WEWHUPFFWJOWMG-UHFFFAOYSA-N 1 0 291.355 -0.813 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(=O)C(C)(C)C ZINC001155912621 815320764 /nfs/dbraw/zinc/32/07/64/815320764.db2.gz KKLMITFEJQATIA-NSHDSACASA-N 1 0 295.383 -0.165 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1n[nH]c(C)c1C ZINC001155970743 815326467 /nfs/dbraw/zinc/32/64/67/815326467.db2.gz IDAIFTBFTDSRBE-UHFFFAOYSA-N 1 0 291.355 -0.515 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1ccon1 ZINC001156001160 815328187 /nfs/dbraw/zinc/32/81/87/815328187.db2.gz JLLRCISYBWDSTC-UHFFFAOYSA-N 1 0 280.328 -0.385 20 30 CBEDRO C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(=O)NCC1CC1 ZINC001156051436 815334064 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CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001120455667 812970044 /nfs/dbraw/zinc/97/00/44/812970044.db2.gz QMWNLNXRVSYLEJ-BSTOTGJRSA-N 1 0 280.303 -0.540 20 30 CBEDRO CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120480690 812972399 /nfs/dbraw/zinc/97/23/99/812972399.db2.gz AVHPQZOLOSBPBF-WDEREUQCSA-N 1 0 256.350 -0.693 20 30 CBEDRO C#CCN(C(=O)C(=O)N(C)C[C@@H](C)O)C1CC[NH+](C)CC1 ZINC001120499834 812976799 /nfs/dbraw/zinc/97/67/99/812976799.db2.gz FZCDBYUSFWGIRZ-GFCCVEGCSA-N 1 0 295.383 -0.618 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001120516599 812978922 /nfs/dbraw/zinc/97/89/22/812978922.db2.gz GIUGZZFFVGSAFL-NWDGAFQWSA-N 1 0 281.356 -0.627 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001120517711 812980316 /nfs/dbraw/zinc/98/03/16/812980316.db2.gz VBKJDQLPSGSCLZ-GFCCVEGCSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=C(C)COCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001120524560 812981794 /nfs/dbraw/zinc/98/17/94/812981794.db2.gz 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ZINC001121844807 813080057 /nfs/dbraw/zinc/08/00/57/813080057.db2.gz INNVRSVTFWOISY-LBPRGKRZSA-N 1 0 262.309 -0.235 20 30 CBEDRO C#CC[NH2+]CC(=O)NCC1N=NC(=S)N1C1CC1 ZINC001121871654 813081288 /nfs/dbraw/zinc/08/12/88/813081288.db2.gz AUOZJYLBXNJXTQ-UHFFFAOYSA-N 1 0 265.342 -0.259 20 30 CBEDRO C=CCNC(=O)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121910458 813089145 /nfs/dbraw/zinc/08/91/45/813089145.db2.gz APPHLVRRBPVZCV-LLVKDONJSA-N 1 0 267.329 -0.827 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC(S(=O)(=O)CC)CC1 ZINC001121965222 813097798 /nfs/dbraw/zinc/09/77/98/813097798.db2.gz OMHROQJSEFOMFV-UHFFFAOYSA-N 1 0 272.370 -0.365 20 30 CBEDRO N#C[C@H](Nc1nccc(N2CCC([NH3+])CC2)n1)C(N)=O ZINC001159468393 815576161 /nfs/dbraw/zinc/57/61/61/815576161.db2.gz XDOJCBNAZJYRLW-VIFPVBQESA-N 1 0 275.316 -0.807 20 30 CBEDRO COc1ncc(/C=C\C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC001122011540 813103654 /nfs/dbraw/zinc/10/36/54/813103654.db2.gz QPYQCVNAKYXYLG-LVUHIJSRSA-N 1 0 273.296 -0.274 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@@H](C)N1CCCCC1=O ZINC001122062200 813110730 /nfs/dbraw/zinc/11/07/30/813110730.db2.gz SKGDEUDAVVHQDL-LLVKDONJSA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001122065096 813112149 /nfs/dbraw/zinc/11/21/49/813112149.db2.gz LLJLJXHJGJZAJX-ZJUUUORDSA-N 1 0 251.286 -0.834 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC(N2CCOC2=O)CC1 ZINC001122078403 813114538 /nfs/dbraw/zinc/11/45/38/813114538.db2.gz ZSTJHJXKBULIPN-UHFFFAOYSA-N 1 0 265.313 -0.348 20 30 CBEDRO CON=Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC001122077268 813114862 /nfs/dbraw/zinc/11/48/62/813114862.db2.gz MOEMDTVEWJFKHS-NEPJUHHUSA-N 1 0 263.297 -0.271 20 30 CBEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001122221698 813135437 /nfs/dbraw/zinc/13/54/37/813135437.db2.gz HRKNTTVGABSKNI-STQMWFEESA-N 1 0 280.372 -0.059 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC001122248221 813137139 /nfs/dbraw/zinc/13/71/39/813137139.db2.gz NCRSPDVLILWLSO-RISCZKNCSA-N 1 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/nfs/dbraw/zinc/14/69/81/813146981.db2.gz RWBHTSQHKZBLEF-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1=O ZINC001122437684 813165470 /nfs/dbraw/zinc/16/54/70/813165470.db2.gz QMJPFQCBNXPILB-LLVKDONJSA-N 1 0 251.330 -0.111 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C2CCOCC2)C1=O ZINC001122496992 813170651 /nfs/dbraw/zinc/17/06/51/813170651.db2.gz FRRPTTSKTKDOLV-ZDUSSCGKSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)F ZINC001122562402 813175913 /nfs/dbraw/zinc/17/59/13/813175913.db2.gz BFZBDWOYKMDFQI-SECBINFHSA-N 1 0 257.309 -0.422 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccco1 ZINC001122705729 813187728 /nfs/dbraw/zinc/18/77/28/813187728.db2.gz VSEGTALRBQCWAG-UHFFFAOYSA-N 1 0 251.286 -0.099 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1 ZINC001122779791 813188635 /nfs/dbraw/zinc/18/86/35/813188635.db2.gz DGAGRNGSJKWEEY-UHFFFAOYSA-N 1 0 260.297 -0.354 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C ZINC001122965093 813199202 /nfs/dbraw/zinc/19/92/02/813199202.db2.gz CSCSOFSCKQZUPD-VHSXEESVSA-N 1 0 282.344 -0.640 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC ZINC001122985103 813203396 /nfs/dbraw/zinc/20/33/96/813203396.db2.gz YMBSSBPMXRGLPM-JTQLQIEISA-N 1 0 257.334 -0.581 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)NC(C)=O)C1=O ZINC001123072191 813210879 /nfs/dbraw/zinc/21/08/79/813210879.db2.gz LZJAYSHAYCTRLW-JQWIXIFHSA-N 1 0 296.371 -0.996 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)NC(C)=O)C1=O ZINC001123072193 813211313 /nfs/dbraw/zinc/21/13/13/813211313.db2.gz LZJAYSHAYCTRLW-ZYHUDNBSSA-N 1 0 296.371 -0.996 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(=O)[nH]n1 ZINC001123104562 813214703 /nfs/dbraw/zinc/21/47/03/813214703.db2.gz WCCDANMZXWTWKY-SECBINFHSA-N 1 0 293.327 -0.808 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123144130 813217861 /nfs/dbraw/zinc/21/78/61/813217861.db2.gz OPTFAYKOPYUKGL-LBPRGKRZSA-N 1 0 296.371 -0.367 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCO1 ZINC001123144128 813218737 /nfs/dbraw/zinc/21/87/37/813218737.db2.gz OPTFAYKOPYUKGL-GFCCVEGCSA-N 1 0 296.371 -0.367 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCO1 ZINC001123157765 813219884 /nfs/dbraw/zinc/21/98/84/813219884.db2.gz HSJJXEOMYCEODM-QWRGUYRKSA-N 1 0 269.345 -0.438 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CSC ZINC001123177671 813221835 /nfs/dbraw/zinc/22/18/35/813221835.db2.gz GSYPIBKXBYSLRR-SECBINFHSA-N 1 0 257.359 -0.807 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCSC ZINC001123206561 813222818 /nfs/dbraw/zinc/22/28/18/813222818.db2.gz QNPOWYUIPAUQSG-SNVBAGLBSA-N 1 0 271.386 -0.417 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnn(C)c1 ZINC001123353787 813233540 /nfs/dbraw/zinc/23/35/40/813233540.db2.gz QAWNGLJYHPVRAP-UHFFFAOYSA-N 1 0 252.318 -0.058 20 30 CBEDRO Cc1noc(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123363828 813235781 /nfs/dbraw/zinc/23/57/81/813235781.db2.gz UBKNYWNXDCKEPU-UHFFFAOYSA-N 1 0 279.300 -0.749 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCc1ccco1 ZINC001123411020 813239048 /nfs/dbraw/zinc/23/90/48/813239048.db2.gz YDAVCDRIZHVKJK-UHFFFAOYSA-N 1 0 278.312 -0.442 20 30 CBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)CC)C1 ZINC001190462620 823815566 /nfs/dbraw/zinc/81/55/66/823815566.db2.gz KBOUVNCZDPMTNQ-LLVKDONJSA-N 1 0 287.385 -0.908 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC(C)=O ZINC001123491601 813242937 /nfs/dbraw/zinc/24/29/37/813242937.db2.gz GKRDDZPELPLVKV-GFCCVEGCSA-N 1 0 281.356 -0.411 20 30 CBEDRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)n1C ZINC001123492229 813243005 /nfs/dbraw/zinc/24/30/05/813243005.db2.gz RVAJIHTTXQKWAV-UHFFFAOYSA-N 1 0 277.328 -0.707 20 30 CBEDRO C#C[C@@H](C)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123567426 813249733 /nfs/dbraw/zinc/24/97/33/813249733.db2.gz QACCPKUSOBQOSX-MBNYWOFBSA-N 1 0 281.356 -0.467 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C)nc1 ZINC001123641214 813255702 /nfs/dbraw/zinc/25/57/02/813255702.db2.gz 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252.318 -0.172 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001124773442 813478584 /nfs/dbraw/zinc/47/85/84/813478584.db2.gz RWJOORFMJRIRBK-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)COC ZINC001124765096 813478599 /nfs/dbraw/zinc/47/85/99/813478599.db2.gz LCJVDBUIJVHXQV-QWRGUYRKSA-N 1 0 271.361 -0.335 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001124773416 813478686 /nfs/dbraw/zinc/47/86/86/813478686.db2.gz RETHDWZYWZKOAF-SNVBAGLBSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001124772364 813478770 /nfs/dbraw/zinc/47/87/70/813478770.db2.gz BYCFYMOMQSBZIY-LBPRGKRZSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001124778098 813480014 /nfs/dbraw/zinc/48/00/14/813480014.db2.gz LCOJLNNAPIRSLZ-LBPRGKRZSA-N 1 0 282.344 -0.848 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cocn2)C1=O ZINC001124794443 813480487 /nfs/dbraw/zinc/48/04/87/813480487.db2.gz 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SBIMBFNQNDNEJK-NSHDSACASA-N 1 0 269.345 -0.579 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001129332894 813836682 /nfs/dbraw/zinc/83/66/82/813836682.db2.gz DDXALZCSRVDSMK-JTQLQIEISA-N 1 0 258.343 -0.707 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129387731 813840088 /nfs/dbraw/zinc/84/00/88/813840088.db2.gz YGWKLWGQRQYQSY-CYBMUJFWSA-N 1 0 277.372 -0.458 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129650995 813856090 /nfs/dbraw/zinc/85/60/90/813856090.db2.gz MVIVUBLEAOAETG-XQQFMLRXSA-N 1 0 291.355 -0.322 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1n1ccnn1 ZINC001129604077 813856461 /nfs/dbraw/zinc/85/64/61/813856461.db2.gz WIAWJQPSPDPIED-OLZOCXBDSA-N 1 0 299.338 -0.320 20 30 CBEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129690215 813857221 /nfs/dbraw/zinc/85/72/21/813857221.db2.gz FRPMLYUIMZNNBZ-UTUOFQBUSA-N 1 0 292.343 -0.838 20 30 CBEDRO COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 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290.161 -0.263 20 30 CBEDRO N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132359510 814135393 /nfs/dbraw/zinc/13/53/93/814135393.db2.gz RAXHIJGWDJMTMF-ZDUSSCGKSA-N 1 0 286.335 -0.100 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CCCn1ccccc1=O ZINC001132379523 814143345 /nfs/dbraw/zinc/14/33/45/814143345.db2.gz MHSYHXUGZOWTPX-UHFFFAOYSA-N 1 0 261.325 -0.033 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132395460 814145681 /nfs/dbraw/zinc/14/56/81/814145681.db2.gz BRCCGXVFWSZYIL-UHFFFAOYSA-N 1 0 277.390 -0.546 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132395699 814145945 /nfs/dbraw/zinc/14/59/45/814145945.db2.gz LQWZOOQBCUUBMX-UHFFFAOYSA-N 1 0 282.344 -0.544 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001132391314 814146768 /nfs/dbraw/zinc/14/67/68/814146768.db2.gz HXMORAAGMHUILC-VIFPVBQESA-N 1 0 267.329 -0.290 20 30 CBEDRO C=CC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)CC[C@@H]1C ZINC001132494380 814155276 /nfs/dbraw/zinc/15/52/76/814155276.db2.gz RZJUNWNQBCOJGJ-QWRGUYRKSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132553301 814163093 /nfs/dbraw/zinc/16/30/93/814163093.db2.gz KVZJJUGQHNDMRM-LLVKDONJSA-N 1 0 257.309 -0.564 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@H](C)C=C ZINC001132569216 814164530 /nfs/dbraw/zinc/16/45/30/814164530.db2.gz MUOGNWQRATWNEK-VXGBXAGGSA-N 1 0 265.357 -0.100 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CC2(CCC2)C1 ZINC001132587776 814165635 /nfs/dbraw/zinc/16/56/35/814165635.db2.gz UILAPNRDNLVXGK-UHFFFAOYSA-N 1 0 278.356 -0.088 20 30 CBEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132577750 814165832 /nfs/dbraw/zinc/16/58/32/814165832.db2.gz ZZRHQKGMASZFNC-MNOVXSKESA-N 1 0 291.417 -0.300 20 30 CBEDRO CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132577888 814166073 /nfs/dbraw/zinc/16/60/73/814166073.db2.gz FSLHRKZYQYQUKM-ZYHUDNBSSA-N 1 0 266.345 -0.280 20 30 CBEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132576650 814166553 /nfs/dbraw/zinc/16/65/53/814166553.db2.gz MOHWBKDNRBIZES-GHMZBOCLSA-N 1 0 296.371 -0.298 20 30 CBEDRO CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132577887 814166795 /nfs/dbraw/zinc/16/67/95/814166795.db2.gz FSLHRKZYQYQUKM-PWSUYJOCSA-N 1 0 266.345 -0.280 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132612921 814170832 /nfs/dbraw/zinc/17/08/32/814170832.db2.gz VYJFNICFNAJMIK-GDNZZTSVSA-N 1 0 254.330 -0.213 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cnnn2)CC[C@@H]1C ZINC001132616780 814172958 /nfs/dbraw/zinc/17/29/58/814172958.db2.gz FLBPSJWKPSUROF-RYUDHWBXSA-N 1 0 278.360 -0.067 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132633861 814174233 /nfs/dbraw/zinc/17/42/33/814174233.db2.gz OYYIYUYKACZKEX-VXGBXAGGSA-N 1 0 280.372 -0.248 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132653891 814175423 /nfs/dbraw/zinc/17/54/23/814175423.db2.gz UEOMAACTAAZAIL-SNVBAGLBSA-N 1 0 284.360 -0.250 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132638513 814175921 /nfs/dbraw/zinc/17/59/21/814175921.db2.gz RZPHONDBTDSSCL-MNOVXSKESA-N 1 0 268.361 -0.085 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132662615 814177043 /nfs/dbraw/zinc/17/70/43/814177043.db2.gz GTEWDTBTJODEHB-NSHDSACASA-N 1 0 291.417 -0.156 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132663328 814177628 /nfs/dbraw/zinc/17/76/28/814177628.db2.gz UUFSKBHDPZNXKW-LLVKDONJSA-N 1 0 296.371 -0.154 20 30 CBEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001132671552 814177775 /nfs/dbraw/zinc/17/77/75/814177775.db2.gz VTQMDKIQCQRCHB-UWVGGRQHSA-N 1 0 284.360 -0.122 20 30 CBEDRO C[C@H]1CCN(C(=O)CSCC#N)C[C@@H]1C[NH2+]CC(N)=O ZINC001132663965 814177884 /nfs/dbraw/zinc/17/78/84/814177884.db2.gz ADRZLHYYWPYKSI-QWRGUYRKSA-N 1 0 298.412 -0.197 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715419 814180845 /nfs/dbraw/zinc/18/08/45/814180845.db2.gz PDMODFLUPDBJIU-AWEZNQCLSA-N 1 0 281.356 -0.742 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC[C@H]1C ZINC001132717967 814181190 /nfs/dbraw/zinc/18/11/90/814181190.db2.gz PSLSFHLGKMWBTP-OLZOCXBDSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C ZINC001132716526 814181299 /nfs/dbraw/zinc/18/12/99/814181299.db2.gz CIIIMXJQADFMCL-GHMZBOCLSA-N 1 0 251.330 -0.431 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C ZINC001132717966 814181387 /nfs/dbraw/zinc/18/13/87/814181387.db2.gz PSLSFHLGKMWBTP-CHWSQXEVSA-N 1 0 295.383 -0.414 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132719128 814182987 /nfs/dbraw/zinc/18/29/87/814182987.db2.gz QZLJNZGAAJQUQQ-CYBMUJFWSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)c1cncnc1 ZINC001132816735 814190151 /nfs/dbraw/zinc/19/01/51/814190151.db2.gz WYHXVPOCSWCGHL-LLVKDONJSA-N 1 0 289.339 -0.965 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)c1cncnc1 ZINC001132816353 814190259 /nfs/dbraw/zinc/19/02/59/814190259.db2.gz KCCBQTYTAXLJPD-NSHDSACASA-N 1 0 291.355 -0.412 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132827755 814192480 /nfs/dbraw/zinc/19/24/80/814192480.db2.gz KAYASCOSMUEKHK-RYUDHWBXSA-N 1 0 276.344 -0.620 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132828306 814192669 /nfs/dbraw/zinc/19/26/69/814192669.db2.gz QBSMWAUDCLXSOK-RYUDHWBXSA-N 1 0 278.360 -0.067 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1C ZINC001132849991 814193584 /nfs/dbraw/zinc/19/35/84/814193584.db2.gz BNDUVLOXKZCPFU-RYUDHWBXSA-N 1 0 298.408 -0.262 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1ccc(OC)cn1 ZINC001132871983 814198247 /nfs/dbraw/zinc/19/82/47/814198247.db2.gz ZCHCJGUYYIAGEE-UHFFFAOYSA-N 1 0 291.351 -0.012 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132893404 814199648 /nfs/dbraw/zinc/19/96/48/814199648.db2.gz PERRXHYUNNDCLP-UHFFFAOYSA-N 1 0 279.344 -0.650 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c1C1CC1 ZINC001132969300 814205095 /nfs/dbraw/zinc/20/50/95/814205095.db2.gz VRZJPETWJXRJLO-UHFFFAOYSA-N 1 0 289.339 -0.149 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133114994 814216866 /nfs/dbraw/zinc/21/68/66/814216866.db2.gz CRYIEQWSHQNJSI-NXEZZACHSA-N 1 0 254.334 -0.272 20 30 CBEDRO NC(=O)C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001133192961 814227035 /nfs/dbraw/zinc/22/70/35/814227035.db2.gz LXJVRDSPXSXNJN-UHFFFAOYSA-N 1 0 279.727 -0.117 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cnnn2)CC[C@H]1C ZINC001133204116 814229252 /nfs/dbraw/zinc/22/92/52/814229252.db2.gz FQVIMCCYSGJZKH-OLZOCXBDSA-N 1 0 290.371 -0.229 20 30 CBEDRO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)C(N)=O)c1 ZINC001133206576 814231940 /nfs/dbraw/zinc/23/19/40/814231940.db2.gz XLESPNGFBSNSLQ-UHFFFAOYSA-N 1 0 264.260 -0.612 20 30 CBEDRO N#CCOc1ccc(C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133206598 814232341 /nfs/dbraw/zinc/23/23/41/814232341.db2.gz YZWOXOUZTIFXAJ-UHFFFAOYSA-N 1 0 276.296 -0.720 20 30 CBEDRO COc1ccc(C[NH2+]CCNC(=O)C(N)=O)cc1C#N ZINC001133206612 814232384 /nfs/dbraw/zinc/23/23/84/814232384.db2.gz ZUTWXRCDFWOJFV-UHFFFAOYSA-N 1 0 276.296 -0.742 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cccnc1OC ZINC001133270418 814233241 /nfs/dbraw/zinc/23/32/41/814233241.db2.gz IZPYYDKCSVXMMG-UHFFFAOYSA-N 1 0 292.339 -0.288 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC001133254944 814234254 /nfs/dbraw/zinc/23/42/54/814234254.db2.gz IAPXTLYQPHATDU-ZDUSSCGKSA-N 1 0 293.371 -0.261 20 30 CBEDRO C[C@@H](CC(F)(F)F)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133265063 814234284 /nfs/dbraw/zinc/23/42/84/814234284.db2.gz PWLYOCNZIARRGF-QMMMGPOBSA-N 1 0 294.277 -0.080 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](OC)C(C)C ZINC001133338053 814244837 /nfs/dbraw/zinc/24/48/37/814244837.db2.gz GJQPDBISCKAJDM-NWDGAFQWSA-N 1 0 283.372 -0.499 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133378368 814248271 /nfs/dbraw/zinc/24/82/71/814248271.db2.gz DNNBFAODLKLQFO-CYBMUJFWSA-N 1 0 266.345 -0.066 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133380807 814248740 /nfs/dbraw/zinc/24/87/40/814248740.db2.gz PEXUFJXOWNSENN-AWEZNQCLSA-N 1 0 296.371 -0.154 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(C)(F)F ZINC001133430556 814253766 /nfs/dbraw/zinc/25/37/66/814253766.db2.gz XOXNVMZVLUVSDZ-VIFPVBQESA-N 1 0 275.299 -0.125 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC1 ZINC001133441489 814254295 /nfs/dbraw/zinc/25/42/95/814254295.db2.gz CGYUBGQEVXEAAG-NXEZZACHSA-N 1 0 266.345 -0.091 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCOC ZINC001133488443 814260756 /nfs/dbraw/zinc/26/07/56/814260756.db2.gz WQNQUNCFPDHNHV-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133485191 814261007 /nfs/dbraw/zinc/26/10/07/814261007.db2.gz XQDKHRBMXWSBBZ-QMMMGPOBSA-N 1 0 283.307 -0.441 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001133523793 814269697 /nfs/dbraw/zinc/26/96/97/814269697.db2.gz GBLLDCLLNAMLNT-RYUDHWBXSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001133523791 814269947 /nfs/dbraw/zinc/26/99/47/814269947.db2.gz GBLLDCLLNAMLNT-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001133528754 814271403 /nfs/dbraw/zinc/27/14/03/814271403.db2.gz LTMOLVRMPDRLNF-RYUDHWBXSA-N 1 0 283.372 -0.191 20 30 CBEDRO C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC001133530087 814271479 /nfs/dbraw/zinc/27/14/79/814271479.db2.gz ZWQXMKLUFJPKHR-GHMZBOCLSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001133570356 814273734 /nfs/dbraw/zinc/27/37/34/814273734.db2.gz XGVAOLOXHVPVJE-UHFFFAOYSA-N 1 0 295.383 -0.093 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cncc(C#C)c1 ZINC001133596940 814276704 /nfs/dbraw/zinc/27/67/04/814276704.db2.gz FMIVIMSYXNYGAG-LBPRGKRZSA-N 1 0 298.346 -0.480 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619860 814277025 /nfs/dbraw/zinc/27/70/25/814277025.db2.gz NIKYANYNUSKICW-VHSXEESVSA-N 1 0 254.334 -0.449 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(N)=O ZINC001133623468 814278980 /nfs/dbraw/zinc/27/89/80/814278980.db2.gz MGSCLCYBEXDPHR-ZJUUUORDSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133620001 814279001 /nfs/dbraw/zinc/27/90/01/814279001.db2.gz PJXYXYVMHVOMKJ-WDEREUQCSA-N 1 0 264.333 -0.431 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133633443 814280337 /nfs/dbraw/zinc/28/03/37/814280337.db2.gz SHGSKXZYXUPQKT-QWRGUYRKSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681257 814286980 /nfs/dbraw/zinc/28/69/80/814286980.db2.gz LPAQFZNWUZLGIM-GFCCVEGCSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681258 814288380 /nfs/dbraw/zinc/28/83/80/814288380.db2.gz LPAQFZNWUZLGIM-LBPRGKRZSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770617 814295418 /nfs/dbraw/zinc/29/54/18/814295418.db2.gz AQANSCJYWYDUCM-DTWKUNHWSA-N 1 0 275.736 -0.522 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccon1 ZINC001133815895 814299335 /nfs/dbraw/zinc/29/93/35/814299335.db2.gz GEMYWKYRBCEIKJ-QWRGUYRKSA-N 1 0 292.339 -0.090 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1C1CC1 ZINC001133810135 814300182 /nfs/dbraw/zinc/30/01/82/814300182.db2.gz NMWIRUBKFABJSU-UHFFFAOYSA-N 1 0 290.323 -0.379 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccon1 ZINC001133815896 814300353 /nfs/dbraw/zinc/30/03/53/814300353.db2.gz GEMYWKYRBCEIKJ-WDEREUQCSA-N 1 0 292.339 -0.090 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001133909000 814322260 /nfs/dbraw/zinc/32/22/60/814322260.db2.gz FVGGEKQGTOBEBD-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cocn1 ZINC001133941937 814327507 /nfs/dbraw/zinc/32/75/07/814327507.db2.gz GFXYXRYEFYLDSH-MNOVXSKESA-N 1 0 292.339 -0.090 20 30 CBEDRO C#CC[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133960535 814329352 /nfs/dbraw/zinc/32/93/52/814329352.db2.gz NYWFZVVPLYDSHC-UHFFFAOYSA-N 1 0 261.329 -0.504 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133995933 814335542 /nfs/dbraw/zinc/33/55/42/814335542.db2.gz PEXFHPZKDNTVPT-SNVBAGLBSA-N 1 0 291.355 -0.516 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(N)=O ZINC001134022331 814342183 /nfs/dbraw/zinc/34/21/83/814342183.db2.gz PGFAKAQPFMVOOP-UWVGGRQHSA-N 1 0 284.360 -0.963 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2OCC[C@H]2C)C1=O ZINC001134029069 814344404 /nfs/dbraw/zinc/34/44/04/814344404.db2.gz UGGWBOJILLZMRM-UPJWGTAASA-N 1 0 295.383 -0.096 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1cn[nH]n1 ZINC001134037061 814344520 /nfs/dbraw/zinc/34/45/20/814344520.db2.gz PXSGAEKCENSSEC-JTQLQIEISA-N 1 0 294.359 -0.866 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134058386 814345636 /nfs/dbraw/zinc/34/56/36/814345636.db2.gz LSMCLJUCAKGEPW-LLVKDONJSA-N 1 0 283.347 -0.030 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001134052913 814346744 /nfs/dbraw/zinc/34/67/44/814346744.db2.gz FWOOYZRZHUBOMS-AXFHLTTASA-N 1 0 269.345 -0.582 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098211 814351218 /nfs/dbraw/zinc/35/12/18/814351218.db2.gz AJXLCCPAONRQGU-LLVKDONJSA-N 1 0 276.344 -0.645 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1 ZINC001134128527 814353568 /nfs/dbraw/zinc/35/35/68/814353568.db2.gz YRYHTLSPCQLCAW-OLZOCXBDSA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOC ZINC001134130489 814355316 /nfs/dbraw/zinc/35/53/16/814355316.db2.gz IOFNCDDFZPYPRZ-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001134139100 814355968 /nfs/dbraw/zinc/35/59/68/814355968.db2.gz NEZRZCASJNMCTH-DTWKUNHWSA-N 1 0 277.328 -0.142 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134134407 814355997 /nfs/dbraw/zinc/35/59/97/814355997.db2.gz HGHHAUYUVPLDHI-MNOVXSKESA-N 1 0 279.344 -0.120 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001134129234 814356325 /nfs/dbraw/zinc/35/63/25/814356325.db2.gz DNGQFVUZYKHSKD-GHMZBOCLSA-N 1 0 290.323 -0.271 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178578 814361239 /nfs/dbraw/zinc/36/12/39/814361239.db2.gz NKRHBKXAJXQFTF-ZYHUDNBSSA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)(C)O ZINC001134229449 814365081 /nfs/dbraw/zinc/36/50/81/814365081.db2.gz SZXPQMDKLHXYPV-VXGBXAGGSA-N 1 0 297.399 -0.230 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001134262150 814365522 /nfs/dbraw/zinc/36/55/22/814365522.db2.gz WBOWRBREGPOFPJ-NEPJUHHUSA-N 1 0 293.371 -0.049 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CC2 ZINC001134305145 814371507 /nfs/dbraw/zinc/37/15/07/814371507.db2.gz JKYLKZBQCZRRQW-SNVBAGLBSA-N 1 0 251.330 -0.206 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC12CC2 ZINC001134323057 814373975 /nfs/dbraw/zinc/37/39/75/814373975.db2.gz BVIZMTZHXZBJMQ-WDEREUQCSA-N 1 0 263.341 -0.370 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC12CC2 ZINC001134323055 814374247 /nfs/dbraw/zinc/37/42/47/814374247.db2.gz BVIZMTZHXZBJMQ-QWRGUYRKSA-N 1 0 263.341 -0.370 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134359860 814376239 /nfs/dbraw/zinc/37/62/39/814376239.db2.gz LLCNNIWYENKRAU-JTQLQIEISA-N 1 0 277.390 -0.404 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353042 814376520 /nfs/dbraw/zinc/37/65/20/814376520.db2.gz QWCYFUMVIGCKJO-QWRGUYRKSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134353542 814377024 /nfs/dbraw/zinc/37/70/24/814377024.db2.gz ZSVPCSLIHZIZBZ-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO ZINC001134357378 814377203 /nfs/dbraw/zinc/37/72/03/814377203.db2.gz WMLCGVLDYANRRC-NEPJUHHUSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CN1C(=O)Cc2ccccc21 ZINC001134370716 814377991 /nfs/dbraw/zinc/37/79/91/814377991.db2.gz XAOZONNNHCPZLT-UHFFFAOYSA-N 1 0 271.320 -0.085 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380008 814378484 /nfs/dbraw/zinc/37/84/84/814378484.db2.gz LXNHCXQGTDMLMB-NWDGAFQWSA-N 1 0 294.359 -0.804 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134514981 814391934 /nfs/dbraw/zinc/39/19/34/814391934.db2.gz QXMVCUQESPUHBB-STQMWFEESA-N 1 0 297.399 -0.013 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cn1nccc1C ZINC001134513565 814392754 /nfs/dbraw/zinc/39/27/54/814392754.db2.gz XGIDIPBPPOYXKG-UHFFFAOYSA-N 1 0 264.329 -0.453 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001134524492 814393563 /nfs/dbraw/zinc/39/35/63/814393563.db2.gz NEDFOTDXYOHLKF-ZJUUUORDSA-N 1 0 254.334 -0.579 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNC(=O)NC ZINC001134524490 814394261 /nfs/dbraw/zinc/39/42/61/814394261.db2.gz NEDFOTDXYOHLKF-UWVGGRQHSA-N 1 0 254.334 -0.579 20 30 CBEDRO CNC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134524841 814394582 /nfs/dbraw/zinc/39/45/82/814394582.db2.gz RSRQNNVFQGJZEQ-NEPJUHHUSA-N 1 0 298.387 -0.562 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1ccc(C)cc1=O ZINC001134544049 814395408 /nfs/dbraw/zinc/39/54/08/814395408.db2.gz QCDRNKWXQQVDPM-UHFFFAOYSA-N 1 0 261.325 -0.114 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnoc1CC ZINC001134552278 814396323 /nfs/dbraw/zinc/39/63/23/814396323.db2.gz SOKOXMPBMIWQRN-SNVBAGLBSA-N 1 0 292.339 -0.306 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1c(C)nn(C)c1OC ZINC001134596557 814396894 /nfs/dbraw/zinc/39/68/94/814396894.db2.gz KSCXVMWGCSMKFM-UHFFFAOYSA-N 1 0 294.355 -0.294 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134601819 814399799 /nfs/dbraw/zinc/39/97/99/814399799.db2.gz INCPYFRCJXOFQK-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134632555 814401109 /nfs/dbraw/zinc/40/11/09/814401109.db2.gz ATBRGHKLMAWHPB-UHFFFAOYSA-N 1 0 254.330 -0.089 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655582 814404329 /nfs/dbraw/zinc/40/43/29/814404329.db2.gz IMOQSFVNXXTGKZ-GFCCVEGCSA-N 1 0 254.330 -0.231 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C(C)C ZINC001134656020 814404905 /nfs/dbraw/zinc/40/49/05/814404905.db2.gz SGKPORWMFRUAHC-LLVKDONJSA-N 1 0 298.387 -0.004 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134656235 814405109 /nfs/dbraw/zinc/40/51/09/814405109.db2.gz YWEWBSIVFOTJTF-ZDUSSCGKSA-N 1 0 286.372 -0.052 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001134660179 814406127 /nfs/dbraw/zinc/40/61/27/814406127.db2.gz UIHLTACLWOEXAR-SNVBAGLBSA-N 1 0 258.343 -0.850 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001134666719 814406709 /nfs/dbraw/zinc/40/67/09/814406709.db2.gz RKNAYRCYBMZKFO-QWRGUYRKSA-N 1 0 276.340 -0.100 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001134741380 814409985 /nfs/dbraw/zinc/40/99/85/814409985.db2.gz MZRQDKOGXWCMLG-NWDGAFQWSA-N 1 0 265.357 -0.122 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134768266 814411706 /nfs/dbraw/zinc/41/17/06/814411706.db2.gz AOAWTOSDHBEIKC-LLVKDONJSA-N 1 0 293.371 -0.087 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787576 814413196 /nfs/dbraw/zinc/41/31/96/814413196.db2.gz MTLCOMSSEBBKKF-CHWSQXEVSA-N 1 0 296.415 -0.181 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786651 814413409 /nfs/dbraw/zinc/41/34/09/814413409.db2.gz DWVMVHGBCUSROY-MNOVXSKESA-N 1 0 279.344 -0.912 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001134787578 814413476 /nfs/dbraw/zinc/41/34/76/814413476.db2.gz MTLCOMSSEBBKKF-QWHCGFSZSA-N 1 0 296.415 -0.181 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134872117 814419503 /nfs/dbraw/zinc/41/95/03/814419503.db2.gz YPFBRVYQTWBHDW-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1cscn1 ZINC001134856971 814419983 /nfs/dbraw/zinc/41/99/83/814419983.db2.gz TYTAVKZZSICLAS-UHFFFAOYSA-N 1 0 281.341 -0.969 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CC(=O)N(C)C ZINC001134933356 814424738 /nfs/dbraw/zinc/42/47/38/814424738.db2.gz VKVROJVFXVQTOV-UHFFFAOYSA-N 1 0 257.334 -0.627 20 30 CBEDRO C#CCOc1ccc(C(=O)NCC[NH2+][C@@H](C)C(N)=O)cc1 ZINC001134950250 814427989 /nfs/dbraw/zinc/42/79/89/814427989.db2.gz GAQFXGFBYMZBAD-NSHDSACASA-N 1 0 289.335 -0.108 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CCn2cccn2)nn1 ZINC001134969814 814428089 /nfs/dbraw/zinc/42/80/89/814428089.db2.gz KTCSFTCETWSRMZ-UHFFFAOYSA-N 1 0 289.343 -0.320 20 30 CBEDRO C#CCOc1ccc(C(=O)NCC[NH2+]CC(=O)NC)cc1 ZINC001134950261 814428160 /nfs/dbraw/zinc/42/81/60/814428160.db2.gz GPMTYDDDPPHTQP-UHFFFAOYSA-N 1 0 289.335 -0.236 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977284 814429245 /nfs/dbraw/zinc/42/92/45/814429245.db2.gz LFNQSBJVSKHPPA-NSHDSACASA-N 1 0 289.401 -0.711 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977585 814429322 /nfs/dbraw/zinc/42/93/22/814429322.db2.gz VVXCWFCTMHGIQE-NSHDSACASA-N 1 0 289.401 -0.711 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(C)C)nn1 ZINC001134983161 814429468 /nfs/dbraw/zinc/42/94/68/814429468.db2.gz JOXZRGZVFKMQHT-UHFFFAOYSA-N 1 0 294.359 -0.692 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC=C)nn1 ZINC001134980252 814429944 /nfs/dbraw/zinc/42/99/44/814429944.db2.gz AYAAHGOUQBQOCH-UHFFFAOYSA-N 1 0 292.343 -0.914 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135061607 814432810 /nfs/dbraw/zinc/43/28/10/814432810.db2.gz WXRLDGGFSZZCFY-JTQLQIEISA-N 1 0 277.328 -0.825 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+][C@H](C)C(N)=O)nn1 ZINC001135075376 814434485 /nfs/dbraw/zinc/43/44/85/814434485.db2.gz IEPZKQRKTIHRQN-SECBINFHSA-N 1 0 280.332 -0.953 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+]CCOCCO)nn1 ZINC001135075764 814435367 /nfs/dbraw/zinc/43/53/67/814435367.db2.gz XYRXTNWVMRWJPH-UHFFFAOYSA-N 1 0 297.359 -0.818 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+]C[C@@H](O)COC)nn1 ZINC001135075596 814435578 /nfs/dbraw/zinc/43/55/78/814435578.db2.gz RCKJLOGGZOBWNF-LLVKDONJSA-N 1 0 297.359 -0.819 20 30 CBEDRO C=CC[NH2+]CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110722 814439893 /nfs/dbraw/zinc/43/98/93/814439893.db2.gz KIGIMNBPAIRTJM-UHFFFAOYSA-N 1 0 280.332 -0.929 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001135145251 814440911 /nfs/dbraw/zinc/44/09/11/814440911.db2.gz DUNPYQMBXMWALR-SRVKXCTJSA-N 1 0 283.372 -0.063 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135147571 814441083 /nfs/dbraw/zinc/44/10/83/814441083.db2.gz MPMLBNPHQNWPMF-TUAOUCFPSA-N 1 0 281.356 -0.438 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214845 814446562 /nfs/dbraw/zinc/44/65/62/814446562.db2.gz RDOBBAIYNMBKJN-ZJUUUORDSA-N 1 0 264.333 -0.280 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135232260 814449644 /nfs/dbraw/zinc/44/96/44/814449644.db2.gz VUJGBSPAXCZFAW-GHMZBOCLSA-N 1 0 296.371 -0.948 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135298462 814460497 /nfs/dbraw/zinc/46/04/97/814460497.db2.gz QPGOJDVYYLWYIL-UHFFFAOYSA-N 1 0 287.323 -0.326 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001135325150 814462156 /nfs/dbraw/zinc/46/21/56/814462156.db2.gz IZEBMPFIOVPBHU-GHMZBOCLSA-N 1 0 289.401 -0.439 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135348243 814467855 /nfs/dbraw/zinc/46/78/55/814467855.db2.gz FNNGWXLASPFITN-NXEZZACHSA-N 1 0 251.330 -0.242 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135348246 814468452 /nfs/dbraw/zinc/46/84/52/814468452.db2.gz FNNGWXLASPFITN-ZJUUUORDSA-N 1 0 251.330 -0.242 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001135348245 814468961 /nfs/dbraw/zinc/46/89/61/814468961.db2.gz FNNGWXLASPFITN-VHSXEESVSA-N 1 0 251.330 -0.242 20 30 CBEDRO C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001159996710 815606266 /nfs/dbraw/zinc/60/62/66/815606266.db2.gz NZMSLKQLRSNFFX-GFCCVEGCSA-N 1 0 277.324 -0.134 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(C)(C)N1CCOCC1 ZINC001135349832 814469254 /nfs/dbraw/zinc/46/92/54/814469254.db2.gz FOEWJXWIKYFDOK-UHFFFAOYSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)n[nH]c1C ZINC001135425754 814474194 /nfs/dbraw/zinc/47/41/94/814474194.db2.gz NNCBZKDTWPTHKT-UHFFFAOYSA-N 1 0 277.328 -0.905 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CN1CCOCC1=O ZINC001160016711 815607582 /nfs/dbraw/zinc/60/75/82/815607582.db2.gz XFRBMHCLTIQAIK-UHFFFAOYSA-N 1 0 255.318 -0.873 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC[C@]1(C(=O)OC)CCOC1 ZINC001160006924 815607686 /nfs/dbraw/zinc/60/76/86/815607686.db2.gz CRQLEBYTKDDTOD-CYBMUJFWSA-N 1 0 270.329 -0.200 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnc(C)nc1C ZINC001135485419 814477667 /nfs/dbraw/zinc/47/76/67/814477667.db2.gz HPGRURZLBFTJEY-UHFFFAOYSA-N 1 0 289.339 -0.838 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)c1nnc[nH]1 ZINC001135521131 814484191 /nfs/dbraw/zinc/48/41/91/814484191.db2.gz SXMIVBBOYHWKGV-UHFFFAOYSA-N 1 0 294.359 -0.451 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccnc(C)c1 ZINC001135573385 814494197 /nfs/dbraw/zinc/49/41/97/814494197.db2.gz BOHRXLHWIJKQMB-GFCCVEGCSA-N 1 0 288.351 -0.153 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(=O)N(C)C ZINC001135636538 814500998 /nfs/dbraw/zinc/50/09/98/814500998.db2.gz WMQQBHRVCHRYQL-OLZOCXBDSA-N 1 0 297.399 -0.013 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(=O)N(C)C ZINC001135636539 814501950 /nfs/dbraw/zinc/50/19/50/814501950.db2.gz WMQQBHRVCHRYQL-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O)nn1 ZINC001135644631 814504001 /nfs/dbraw/zinc/50/40/01/814504001.db2.gz MNVLYWGGGUDLAC-NXEZZACHSA-N 1 0 294.359 -0.564 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135669418 814506424 /nfs/dbraw/zinc/50/64/24/814506424.db2.gz NWVHVAXQYYRFOC-UHFFFAOYSA-N 1 0 278.312 -0.532 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(OC)o1 ZINC001135668287 814506565 /nfs/dbraw/zinc/50/65/65/814506565.db2.gz UBVUVEAVKFITMX-JTQLQIEISA-N 1 0 293.323 -0.255 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135700078 814511088 /nfs/dbraw/zinc/51/10/88/814511088.db2.gz WSFXSSUNQKYQHT-QWRGUYRKSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135698113 814511398 /nfs/dbraw/zinc/51/13/98/814511398.db2.gz DLSKKLCFGSDEBB-QWRGUYRKSA-N 1 0 294.355 -0.566 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692009 814511440 /nfs/dbraw/zinc/51/14/40/814511440.db2.gz CMNDFJZMUQCDRR-ZJUUUORDSA-N 1 0 282.344 -0.403 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1cnon1)[NH2+]CC(=O)NCC#N ZINC001135725510 814515566 /nfs/dbraw/zinc/51/55/66/814515566.db2.gz PDSAFLLTWUUFCZ-BDAKNGLRSA-N 1 0 294.315 -0.804 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ncccc1F ZINC001135731911 814515570 /nfs/dbraw/zinc/51/55/70/814515570.db2.gz WDZQBFNTRHZVNU-JTQLQIEISA-N 1 0 292.314 -0.322 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135754295 814518871 /nfs/dbraw/zinc/51/88/71/814518871.db2.gz ACGCKKNOZORIRY-UHFFFAOYSA-N 1 0 250.302 -0.692 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160396293 815618192 /nfs/dbraw/zinc/61/81/92/815618192.db2.gz ITYLFTVDJJTHAC-UHFFFAOYSA-N 1 0 271.361 -0.204 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCc1ncnn1C ZINC001135828999 814530503 /nfs/dbraw/zinc/53/05/03/814530503.db2.gz AABLUOVCYAZXSQ-VXGBXAGGSA-N 1 0 293.371 -0.162 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876493 814533665 /nfs/dbraw/zinc/53/36/65/814533665.db2.gz QBJVLLCYDXQTSL-QWRGUYRKSA-N 1 0 294.355 -0.566 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000315 814544880 /nfs/dbraw/zinc/54/48/80/814544880.db2.gz CNANMBGKAOFNRH-LBPRGKRZSA-N 1 0 291.355 -0.343 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CCn1cnccc1=O ZINC001136018893 814546451 /nfs/dbraw/zinc/54/64/51/814546451.db2.gz BFPFZRJZICTIRO-UHFFFAOYSA-N 1 0 264.329 -0.085 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001136115677 814552905 /nfs/dbraw/zinc/55/29/05/814552905.db2.gz MBQJKWJYNXZBQN-MNOVXSKESA-N 1 0 276.340 -0.100 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001136107214 814553295 /nfs/dbraw/zinc/55/32/95/814553295.db2.gz HZCPCFRRLMMQSP-UHFFFAOYSA-N 1 0 272.370 -0.317 20 30 CBEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136126975 814554725 /nfs/dbraw/zinc/55/47/25/814554725.db2.gz IVJHIONOFSDWNI-WDEREUQCSA-N 1 0 296.371 -0.013 20 30 CBEDRO C=C(CO)C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001136524406 814562995 /nfs/dbraw/zinc/56/29/95/814562995.db2.gz BXBFWCQCOUZMAW-GFCCVEGCSA-N 1 0 281.356 -0.524 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCC1(OCCO)CCOCC1 ZINC001138747286 814613726 /nfs/dbraw/zinc/61/37/26/814613726.db2.gz GSSYKKWCSYNBFW-UHFFFAOYSA-N 1 0 286.372 -0.222 20 30 CBEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001142140857 814695841 /nfs/dbraw/zinc/69/58/41/814695841.db2.gz DLYKWAWEOQAWGD-JTQLQIEISA-N 1 0 250.306 -0.560 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)Nc1cn(C)nc1C(N)=O ZINC001159602870 815581331 /nfs/dbraw/zinc/58/13/31/815581331.db2.gz MNSLKTYZDXTWDD-UHFFFAOYSA-N 1 0 265.317 -0.035 20 30 CBEDRO COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C#N)CC[N@H+](C)C1 ZINC001142389956 814713199 /nfs/dbraw/zinc/71/31/99/814713199.db2.gz KCCAZRAJNPECOU-GMTAPVOTSA-N 1 0 265.313 -0.291 20 30 CBEDRO C[NH+]1CC(C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)C1 ZINC001142591874 814720797 /nfs/dbraw/zinc/72/07/97/814720797.db2.gz IUCJMSRQQWHRLO-UHFFFAOYSA-N 1 0 281.279 -0.027 20 30 CBEDRO N#Cc1ncc(Cl)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159672605 815584975 /nfs/dbraw/zinc/58/49/75/815584975.db2.gz QPYKKMQCLHNCPG-SVRRBLITSA-N 1 0 253.693 -0.006 20 30 CBEDRO Cc1nc(Cl)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1C#N ZINC001159679841 815587063 /nfs/dbraw/zinc/58/70/63/815587063.db2.gz VYBRLMVLOOQAGC-CBAPKCEASA-N 1 0 267.720 -0.276 20 30 CBEDRO COC[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159676703 815587156 /nfs/dbraw/zinc/58/71/56/815587156.db2.gz XDGVKUMAPVBFKP-VXGBXAGGSA-N 1 0 298.387 -0.359 20 30 CBEDRO CN1CC[NH+](CCC(=O)N2CC(C)(C#N)C2)CC1 ZINC001143223919 814763556 /nfs/dbraw/zinc/76/35/56/814763556.db2.gz KRKMTGIVDPBBJA-UHFFFAOYSA-N 1 0 250.346 -0.004 20 30 CBEDRO C[NH+]1CCN(CCC(=O)Nc2c[nH]nc2C#N)CC1 ZINC001143225308 814763908 /nfs/dbraw/zinc/76/39/08/814763908.db2.gz YBEINIGLFUGEHR-UHFFFAOYSA-N 1 0 262.317 -0.143 20 30 CBEDRO CCc1nc(C#N)c(C#N)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159681428 815588484 /nfs/dbraw/zinc/58/84/84/815588484.db2.gz DGGYWBPTMNOWFK-PRHODGIISA-N 1 0 272.312 -0.225 20 30 CBEDRO COC(=O)[C@H](CS)NC(=O)C1CC[NH+](C)CC1 ZINC001143313668 814769318 /nfs/dbraw/zinc/76/93/18/814769318.db2.gz JAZDQMZMWFWQBI-VIFPVBQESA-N 1 0 260.359 -0.084 20 30 CBEDRO C#CC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001143912912 814771763 /nfs/dbraw/zinc/77/17/63/814771763.db2.gz NYDBEZOQKXLBKN-XYPYZODXSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146183585 814779290 /nfs/dbraw/zinc/77/92/90/814779290.db2.gz PSEQKQBXRNTYRT-UHFFFAOYSA-N 1 0 277.390 -0.450 20 30 CBEDRO COCCC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001146222994 814779522 /nfs/dbraw/zinc/77/95/22/814779522.db2.gz PDDNWLFZYZJAQP-UHFFFAOYSA-N 1 0 284.360 -0.605 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146216274 814779594 /nfs/dbraw/zinc/77/95/94/814779594.db2.gz KDIBOENDCLYRMD-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)COCc1ncnn1C ZINC001146199783 814779627 /nfs/dbraw/zinc/77/96/27/814779627.db2.gz CKSIFUIGHRNWSU-UHFFFAOYSA-N 1 0 265.317 -0.939 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCNC(N)=O ZINC001146225247 814779791 /nfs/dbraw/zinc/77/97/91/814779791.db2.gz PKUSBODJRIOBMV-QWRGUYRKSA-N 1 0 268.361 -0.059 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)CCOC ZINC001146244217 814779809 /nfs/dbraw/zinc/77/98/09/814779809.db2.gz MSVOULOIXWKLJW-LBPRGKRZSA-N 1 0 297.399 -0.107 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146225199 814779921 /nfs/dbraw/zinc/77/99/21/814779921.db2.gz OTTGJOYILAVDBZ-NWDGAFQWSA-N 1 0 298.387 -0.433 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001146636387 814842965 /nfs/dbraw/zinc/84/29/65/814842965.db2.gz MZUSKGKFFSATAS-VHSXEESVSA-N 1 0 294.359 -0.564 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC12CCCC2 ZINC001146747114 814847029 /nfs/dbraw/zinc/84/70/29/814847029.db2.gz QVHDPNGILZMGFJ-NSHDSACASA-N 1 0 278.356 -0.088 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CCCn1cncn1 ZINC001146797127 814848238 /nfs/dbraw/zinc/84/82/38/814848238.db2.gz YZTFKWQYFHEIKI-UHFFFAOYSA-N 1 0 281.360 -0.033 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nocc1C ZINC001146834078 814849129 /nfs/dbraw/zinc/84/91/29/814849129.db2.gz PNDGTVWVDAAXQU-UHFFFAOYSA-N 1 0 266.301 -0.395 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CN1CCC(=O)NC1=O ZINC001146879244 814853473 /nfs/dbraw/zinc/85/34/73/814853473.db2.gz XLVTVKLCKZCWBE-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO CCCC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001146880778 814853753 /nfs/dbraw/zinc/85/37/53/814853753.db2.gz ICWFAKOUCHDTRR-UHFFFAOYSA-N 1 0 278.356 -0.039 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)co1 ZINC001146957860 814859479 /nfs/dbraw/zinc/85/94/79/814859479.db2.gz QNHUPSWJMRAGQP-UHFFFAOYSA-N 1 0 266.301 -0.102 20 30 CBEDRO CC[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CCO1 ZINC001146969043 814859942 /nfs/dbraw/zinc/85/99/42/814859942.db2.gz VUBWUHQKQVDSDR-RYUDHWBXSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1nccn2cc(C)nc12 ZINC001146994309 814863854 /nfs/dbraw/zinc/86/38/54/814863854.db2.gz NCHQMFHSXZLXEQ-UHFFFAOYSA-N 1 0 257.297 -0.010 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147003785 814865742 /nfs/dbraw/zinc/86/57/42/814865742.db2.gz NCMYWYVTKLONNN-FZMZJTMJSA-N 1 0 281.356 -0.579 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016254 814867551 /nfs/dbraw/zinc/86/75/51/814867551.db2.gz TWAAPYNGZKYZIY-LLVKDONJSA-N 1 0 277.328 -0.418 20 30 CBEDRO CC#CC[N@H+]1CCC2(CN(C(=O)CNC(=O)OC)C2)C1 ZINC001147071193 814873770 /nfs/dbraw/zinc/87/37/70/814873770.db2.gz DVFNPPPROSWEGA-UHFFFAOYSA-N 1 0 279.340 -0.100 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)C1 ZINC001147176184 814878446 /nfs/dbraw/zinc/87/84/46/814878446.db2.gz OJQHTCZLDDFYLE-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C1CC1)C1CC1 ZINC001147184716 814879914 /nfs/dbraw/zinc/87/99/14/814879914.db2.gz WILLZOPIMVUNBT-UHFFFAOYSA-N 1 0 277.368 -0.122 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)COCc1nc(CC)no1 ZINC001147264786 814884834 /nfs/dbraw/zinc/88/48/34/814884834.db2.gz PBPOYMVBOBNNHX-UHFFFAOYSA-N 1 0 280.328 -0.122 20 30 CBEDRO C=CCOCC[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001147273971 814885977 /nfs/dbraw/zinc/88/59/77/814885977.db2.gz FTZSENDZVXJLPB-UHFFFAOYSA-N 1 0 281.356 -0.401 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CCC(=O)NCCCOC ZINC001147294865 814887589 /nfs/dbraw/zinc/88/75/89/814887589.db2.gz GHRRXODGRBQYEM-UHFFFAOYSA-N 1 0 283.372 -0.352 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147358246 814891002 /nfs/dbraw/zinc/89/10/02/814891002.db2.gz DBRQEGNPYDDLMO-SNVBAGLBSA-N 1 0 254.334 -0.189 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147359544 814891304 /nfs/dbraw/zinc/89/13/04/814891304.db2.gz RJBYSDYSQSOTMR-SNVBAGLBSA-N 1 0 252.318 -0.741 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@](C)(NC(C)=O)C1CC1 ZINC001147461564 814895410 /nfs/dbraw/zinc/89/54/10/814895410.db2.gz ZZOYVNMQMFBZJO-HNNXBMFYSA-N 1 0 295.383 -0.353 20 30 CBEDRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001147514140 814896234 /nfs/dbraw/zinc/89/62/34/814896234.db2.gz DPRLDFJKAQPVRN-CQSZACIVSA-N 1 0 292.379 -0.059 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001147534380 814897223 /nfs/dbraw/zinc/89/72/23/814897223.db2.gz FFJLTQWMMSIRJZ-STQMWFEESA-N 1 0 280.368 -0.060 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001147541176 814897504 /nfs/dbraw/zinc/89/75/04/814897504.db2.gz LADKFVLFDCMPGC-LBPRGKRZSA-N 1 0 266.341 -0.449 20 30 CBEDRO C#CCOCCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147535329 814898151 /nfs/dbraw/zinc/89/81/51/814898151.db2.gz ZRQNWRXZMLUAHN-UHFFFAOYSA-N 1 0 266.341 -0.447 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)NC(N)=O)C2)C1 ZINC001147564284 814901188 /nfs/dbraw/zinc/90/11/88/814901188.db2.gz ANYGNMJOXQCYOF-NSHDSACASA-N 1 0 278.356 -0.399 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1ccnc2nc(C)nn21 ZINC001147639584 814907435 /nfs/dbraw/zinc/90/74/35/814907435.db2.gz 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CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001319805548 817244267 /nfs/dbraw/zinc/24/42/67/817244267.db2.gz HVYGHUPGHDJVIW-QWHCGFSZSA-N 1 0 290.371 -0.087 20 30 CBEDRO C[C@@H]1CCCN(C(=O)CSCC#N)[C@@H]1C[NH2+]CC(N)=O ZINC001319839135 817246980 /nfs/dbraw/zinc/24/69/80/817246980.db2.gz UMCAFFJGGXTKNS-GHMZBOCLSA-N 1 0 298.412 -0.055 20 30 CBEDRO C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001319884741 817251312 /nfs/dbraw/zinc/25/13/12/817251312.db2.gz GCLQPDKCBOPIGQ-CYBMUJFWSA-N 1 0 292.383 -0.139 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C(C)C ZINC001319937587 817256950 /nfs/dbraw/zinc/25/69/50/817256950.db2.gz WQZJBWOCIQPTAL-RYUDHWBXSA-N 1 0 280.372 -0.236 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001319991670 817264058 /nfs/dbraw/zinc/26/40/58/817264058.db2.gz QYPWSRWMAGZQIO-UHFFFAOYSA-N 1 0 251.330 -0.512 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001320055568 817273325 /nfs/dbraw/zinc/27/33/25/817273325.db2.gz 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ZINC001320239657 817301491 /nfs/dbraw/zinc/30/14/91/817301491.db2.gz YVUOYENJBYMDLF-LBPRGKRZSA-N 1 0 281.312 -0.800 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)ccn1 ZINC001320235729 817301566 /nfs/dbraw/zinc/30/15/66/817301566.db2.gz ZSSUCUIWZDDUSO-GFCCVEGCSA-N 1 0 261.325 -0.043 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c(c1)nnn2C ZINC001320237200 817301874 /nfs/dbraw/zinc/30/18/74/817301874.db2.gz GDCSABADKCNJAW-NSHDSACASA-N 1 0 287.323 -0.718 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c[nH]nc1CCC ZINC001320241963 817302842 /nfs/dbraw/zinc/30/28/42/817302842.db2.gz JEQPXNBBVOPFRC-JTQLQIEISA-N 1 0 264.329 -0.324 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001320240709 817303164 /nfs/dbraw/zinc/30/31/64/817303164.db2.gz BXVLSOXOFQHREC-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OC)C1CCC1 ZINC001320257346 817305713 /nfs/dbraw/zinc/30/57/13/817305713.db2.gz HTYKEBPLYCQFLL-KGLIPLIRSA-N 1 0 298.383 -0.482 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2cccnc21 ZINC001320260652 817307013 /nfs/dbraw/zinc/30/70/13/817307013.db2.gz AMFQBXOPHWIKAV-OLZOCXBDSA-N 1 0 273.336 -0.189 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccoc1CC(N)=O ZINC001320263348 817308681 /nfs/dbraw/zinc/30/86/81/817308681.db2.gz LZGPJJGORFQEHC-SNVBAGLBSA-N 1 0 295.339 -0.436 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001320271709 817309243 /nfs/dbraw/zinc/30/92/43/817309243.db2.gz DTLOJSFNXPVWDO-FRRDWIJNSA-N 1 0 297.399 -0.079 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1conc1C ZINC001320270406 817310304 /nfs/dbraw/zinc/31/03/04/817310304.db2.gz MJQGAJWJQDZGLH-SNVBAGLBSA-N 1 0 251.286 -0.313 20 30 CBEDRO C=CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001320269999 817310355 /nfs/dbraw/zinc/31/03/55/817310355.db2.gz GHFWWCXNZQAFTJ-NEPJUHHUSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)C1 ZINC001320272216 817310460 /nfs/dbraw/zinc/31/04/60/817310460.db2.gz 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280.328 -0.744 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001168120596 820146444 /nfs/dbraw/zinc/14/64/44/820146444.db2.gz SZYYPELBTCXIJW-GFCCVEGCSA-N 1 0 272.370 -0.317 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001168224905 820150492 /nfs/dbraw/zinc/15/04/92/820150492.db2.gz JNWJDJMKBYCYAR-NSHDSACASA-N 1 0 296.371 -0.947 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001168231071 820151878 /nfs/dbraw/zinc/15/18/78/820151878.db2.gz GOISFVJFZKPYOJ-GFCCVEGCSA-N 1 0 281.356 -0.599 20 30 CBEDRO C=CCCOCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168435440 820162334 /nfs/dbraw/zinc/16/23/34/820162334.db2.gz VYSAJMIPGFIBOT-UHFFFAOYSA-N 1 0 283.372 -0.060 20 30 CBEDRO COc1ccnc(C(=N)Nc2ncc3c(n2)C[NH2+]CC3)n1 ZINC001168420624 820162682 /nfs/dbraw/zinc/16/26/82/820162682.db2.gz BWTBNSHMPBRKHA-UHFFFAOYSA-N 1 0 285.311 -0.042 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CCn1cc[nH]c(=O)c1=O ZINC001168512418 820165378 /nfs/dbraw/zinc/16/53/78/820165378.db2.gz INMACRVFTJXYRK-UHFFFAOYSA-N 1 0 294.355 -0.401 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)CN1CC(=O)NC1=O ZINC001168606866 820166959 /nfs/dbraw/zinc/16/69/59/820166959.db2.gz NBWPIDMHKBDSKS-UHFFFAOYSA-N 1 0 288.735 -0.613 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccncn1 ZINC001168825065 820183641 /nfs/dbraw/zinc/18/36/41/820183641.db2.gz QXLMOGVSBIUPKX-NSHDSACASA-N 1 0 289.339 -0.676 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccncn1 ZINC001168804111 820184662 /nfs/dbraw/zinc/18/46/62/820184662.db2.gz GRFYMUKNWJZHNQ-UHFFFAOYSA-N 1 0 277.328 -0.512 20 30 CBEDRO CSc1nc(C)c(C#N)c(-n2nnnc2C[NH3+])n1 ZINC001168918640 820191405 /nfs/dbraw/zinc/19/14/05/820191405.db2.gz IOCBADIRLWWRPQ-UHFFFAOYSA-N 1 0 262.302 -0.187 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1cccnn1 ZINC001168989744 820199968 /nfs/dbraw/zinc/19/99/68/820199968.db2.gz WABWPUYIQSJOAV-UHFFFAOYSA-N 1 0 262.313 -0.164 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001169046151 820201095 /nfs/dbraw/zinc/20/10/95/820201095.db2.gz WVDOFXGPRQKKKO-LLVKDONJSA-N 1 0 264.333 -0.429 20 30 CBEDRO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001169052988 820201436 /nfs/dbraw/zinc/20/14/36/820201436.db2.gz CAEIPAXUTTUHKM-GFCCVEGCSA-N 1 0 278.360 -0.039 20 30 CBEDRO COc1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)o1 ZINC001169059999 820203226 /nfs/dbraw/zinc/20/32/26/820203226.db2.gz KRBPUFJWYHKLBZ-UHFFFAOYSA-N 1 0 294.311 -0.363 20 30 CBEDRO Cc1nc(C(=O)NCCC[NH2+]CC(=O)NCC#N)c(C)o1 ZINC001169076191 820206446 /nfs/dbraw/zinc/20/64/46/820206446.db2.gz UIFZHFOASSUWTK-UHFFFAOYSA-N 1 0 293.327 -0.359 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001169081479 820206935 /nfs/dbraw/zinc/20/69/35/820206935.db2.gz AYTZIYQZGGKKOS-UHFFFAOYSA-N 1 0 292.339 -0.142 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cccc1 ZINC001169184988 820212543 /nfs/dbraw/zinc/21/25/43/820212543.db2.gz LSRZSUCSIHOMTB-UHFFFAOYSA-N 1 0 291.355 -0.386 20 30 CBEDRO C[C@@]1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCOC1 ZINC001169246096 820216526 /nfs/dbraw/zinc/21/65/26/820216526.db2.gz KPDCSQZORSPMSR-CYBMUJFWSA-N 1 0 282.344 -0.851 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001169298544 820224793 /nfs/dbraw/zinc/22/47/93/820224793.db2.gz LTDOXNICNWFPAW-UHFFFAOYSA-N 1 0 292.339 -0.527 20 30 CBEDRO C[C@@H]1C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CCO1 ZINC001169350272 820243103 /nfs/dbraw/zinc/24/31/03/820243103.db2.gz YVESLXHHOGABRN-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)COCc1nncn1C ZINC001169829476 820266477 /nfs/dbraw/zinc/26/64/77/820266477.db2.gz WLKHGPVIKPPHBZ-UHFFFAOYSA-N 1 0 279.344 -0.549 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)O ZINC001170310562 820286955 /nfs/dbraw/zinc/28/69/55/820286955.db2.gz JOHZPVCXZJSOLF-CHWSQXEVSA-N 1 0 297.399 -0.229 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)O ZINC001170310563 820287141 /nfs/dbraw/zinc/28/71/41/820287141.db2.gz JOHZPVCXZJSOLF-OLZOCXBDSA-N 1 0 297.399 -0.229 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cn(C2CCOCC2)nn1 ZINC001170409799 820290848 /nfs/dbraw/zinc/29/08/48/820290848.db2.gz QGUCRCWPTLXWSQ-UHFFFAOYSA-N 1 0 291.355 -0.028 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001170497822 820294047 /nfs/dbraw/zinc/29/40/47/820294047.db2.gz AIFJZVGWVFJTMA-GFCCVEGCSA-N 1 0 291.355 -0.028 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001170492385 820294207 /nfs/dbraw/zinc/29/42/07/820294207.db2.gz HMQKLPUVCIXKAP-WDEREUQCSA-N 1 0 267.329 -0.007 20 30 CBEDRO CSc1ncc(C#N)c(NCCN(C)CC[NH3+])n1 ZINC001170498770 820295650 /nfs/dbraw/zinc/29/56/50/820295650.db2.gz ZVDLFRJREYAIEG-UHFFFAOYSA-N 1 0 266.374 -0.206 20 30 CBEDRO C[C@H]1CN(c2ccc(N[C@H](C#N)C(N)=O)nn2)CC[NH2+]1 ZINC001170532715 820299532 /nfs/dbraw/zinc/29/95/32/820299532.db2.gz LJDYWDCRCFIDLY-DTWKUNHWSA-N 1 0 275.316 -0.936 20 30 CBEDRO N#C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(N)=O ZINC001170535041 820301040 /nfs/dbraw/zinc/30/10/40/820301040.db2.gz FKRIINSTSXZAER-VIFPVBQESA-N 1 0 261.241 -0.013 20 30 CBEDRO COC(=O)[C@@H](C[NH3+])Cc1ccc(N[C@H](C#N)C(N)=O)cc1 ZINC001170535702 820301814 /nfs/dbraw/zinc/30/18/14/820301814.db2.gz IYDUVYBCWFEXOO-ZYHUDNBSSA-N 1 0 290.323 -0.234 20 30 CBEDRO N#C[C@H](Nc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1)C(N)=O ZINC001170541654 820304518 /nfs/dbraw/zinc/30/45/18/820304518.db2.gz BZCGQISTEVIZTF-WPRPVWTQSA-N 1 0 285.311 -0.404 20 30 CBEDRO N#C[C@H](Nc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1)C(N)=O ZINC001170541652 820304658 /nfs/dbraw/zinc/30/46/58/820304658.db2.gz BZCGQISTEVIZTF-SCZZXKLOSA-N 1 0 285.311 -0.404 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+]([C@@H](C)[C@@H](C)O)CC1 ZINC001170614622 820310758 /nfs/dbraw/zinc/31/07/58/820310758.db2.gz QBIVIPKOVPGJSI-NWDGAFQWSA-N 1 0 253.346 -0.877 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])c1cnc(CC#N)nc1 ZINC001170993867 820342128 /nfs/dbraw/zinc/34/21/28/820342128.db2.gz CMKCZYLDBSFPBH-UHFFFAOYSA-N 1 0 263.301 -0.129 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171047302 820344641 /nfs/dbraw/zinc/34/46/41/820344641.db2.gz URWWRBXKLFTAPJ-UHFFFAOYSA-N 1 0 282.300 -0.208 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080603 820348102 /nfs/dbraw/zinc/34/81/02/820348102.db2.gz XIQIZXZQNDBCLM-UHFFFAOYSA-N 1 0 288.311 -0.850 20 30 CBEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001171202022 820349065 /nfs/dbraw/zinc/34/90/65/820349065.db2.gz UXZDQQLBIRLBRS-SKDRFNHKSA-N 1 0 274.324 -0.192 20 30 CBEDRO C#CCOc1ncccc1C(=O)NCCC[NH2+]CCO ZINC001171549159 820362874 /nfs/dbraw/zinc/36/28/74/820362874.db2.gz UBHOVJWZNPAWJA-UHFFFAOYSA-N 1 0 277.324 -0.205 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@H](C)C(=O)NC)cn1 ZINC001171595166 820364293 /nfs/dbraw/zinc/36/42/93/820364293.db2.gz WCGACKYKUCEYJJ-LLVKDONJSA-N 1 0 288.351 -0.093 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001171633994 820366641 /nfs/dbraw/zinc/36/66/41/820366641.db2.gz XVKINIZUUIVSSZ-GFCCVEGCSA-N 1 0 253.346 -0.124 20 30 CBEDRO CCN1CC[C@@H]([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1=O ZINC001172034369 820380210 /nfs/dbraw/zinc/38/02/10/820380210.db2.gz CGSNKLXFKBICIM-NGZCFLSTSA-N 1 0 255.318 -0.177 20 30 CBEDRO COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175013954 820419748 /nfs/dbraw/zinc/41/97/48/820419748.db2.gz MQORZFJNNYAASE-LLVKDONJSA-N 1 0 269.345 -0.614 20 30 CBEDRO COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175013959 820420776 /nfs/dbraw/zinc/42/07/76/820420776.db2.gz MQORZFJNNYAASE-NSHDSACASA-N 1 0 269.345 -0.614 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001175019181 820421679 /nfs/dbraw/zinc/42/16/79/820421679.db2.gz VIJRTSPGDUVKPP-UHFFFAOYSA-N 1 0 295.387 -0.048 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175033310 820421907 /nfs/dbraw/zinc/42/19/07/820421907.db2.gz MLCFIURMWKBZMM-MNOVXSKESA-N 1 0 298.387 -0.573 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001175285916 820423835 /nfs/dbraw/zinc/42/38/35/820423835.db2.gz PXXAJGNXDUOWBZ-UHFFFAOYSA-N 1 0 280.328 -0.954 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001175285747 820424368 /nfs/dbraw/zinc/42/43/68/820424368.db2.gz IGWSUSRYTYGDSZ-UHFFFAOYSA-N 1 0 296.371 -0.011 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CCC(=O)N1CCOCC1 ZINC001175373150 820425167 /nfs/dbraw/zinc/42/51/67/820425167.db2.gz LWLMGBOEIJCDBU-UHFFFAOYSA-N 1 0 295.383 -0.255 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cncn1 ZINC001175484334 820427733 /nfs/dbraw/zinc/42/77/33/820427733.db2.gz RDDGUXAWFUEEPZ-NSHDSACASA-N 1 0 294.359 -0.935 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cncc(C(N)=O)c1 ZINC001176271131 820444812 /nfs/dbraw/zinc/44/48/12/820444812.db2.gz MEYAUWZGOKGHKQ-UHFFFAOYSA-N 1 0 260.297 -0.477 20 30 CBEDRO CC[C@@H](C)C(=O)NCC(=O)NCCC[NH2+]CC#CCOC ZINC001176327051 820446002 /nfs/dbraw/zinc/44/60/02/820446002.db2.gz AIABMDDETBBORM-CYBMUJFWSA-N 1 0 297.399 -0.106 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CS(=O)(=O)CCC ZINC001176357730 820447905 /nfs/dbraw/zinc/44/79/05/820447905.db2.gz MVNPOUNNJGWCAV-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001176530546 820450665 /nfs/dbraw/zinc/45/06/65/820450665.db2.gz MHNBSKFISNTUAR-LBPRGKRZSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001176638313 820455423 /nfs/dbraw/zinc/45/54/23/820455423.db2.gz ASRLCMXMDDIANK-NSHDSACASA-N 1 0 291.417 -0.014 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CCS(=O)(=O)N(C)C ZINC001176817390 820457374 /nfs/dbraw/zinc/45/73/74/820457374.db2.gz FKJWKMYFYLYGRL-UHFFFAOYSA-N 1 0 289.401 -0.613 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)c1cccnc1C(N)=O ZINC001176778941 820457718 /nfs/dbraw/zinc/45/77/18/820457718.db2.gz RFPAPTOCVLASLB-UHFFFAOYSA-N 1 0 274.324 -0.087 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001176850446 820471196 /nfs/dbraw/zinc/47/11/96/820471196.db2.gz JDZLTFSGBOYXRN-GFCCVEGCSA-N 1 0 275.356 -0.040 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001176861583 820471915 /nfs/dbraw/zinc/47/19/15/820471915.db2.gz UUGIVMNXQXWQIN-VXGBXAGGSA-N 1 0 293.367 -0.063 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001176850447 820472447 /nfs/dbraw/zinc/47/24/47/820472447.db2.gz JDZLTFSGBOYXRN-LBPRGKRZSA-N 1 0 275.356 -0.040 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176894171 820476553 /nfs/dbraw/zinc/47/65/53/820476553.db2.gz NBPKILSJHXBLQQ-UHFFFAOYSA-N 1 0 294.359 -0.934 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](CCO)[C@H](CO)C2)C1=O ZINC001176966459 820482786 /nfs/dbraw/zinc/48/27/86/820482786.db2.gz ZAMOJNWKYJGSMQ-AVGNSLFASA-N 1 0 268.357 -0.304 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)CS(=O)(=O)CC ZINC001176953248 820483098 /nfs/dbraw/zinc/48/30/98/820483098.db2.gz ICWMWZTYUHQSOQ-UHFFFAOYSA-N 1 0 292.401 -0.280 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CS(=O)(=O)CC ZINC001176956082 820483549 /nfs/dbraw/zinc/48/35/49/820483549.db2.gz MNMKHSOWKNISCM-UHFFFAOYSA-N 1 0 260.359 -0.460 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001177264343 820501132 /nfs/dbraw/zinc/50/11/32/820501132.db2.gz CTURPPAJOQEEIK-UHFFFAOYSA-N 1 0 282.344 -0.685 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001177272990 820501193 /nfs/dbraw/zinc/50/11/93/820501193.db2.gz DAJSRGFVJDFEQC-VHSXEESVSA-N 1 0 257.334 -0.453 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001177260037 820501412 /nfs/dbraw/zinc/50/14/12/820501412.db2.gz BZZVXVCMCUYIHG-JTQLQIEISA-N 1 0 257.334 -0.451 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001177273523 820501595 /nfs/dbraw/zinc/50/15/95/820501595.db2.gz RJEOTOWRLPLLNF-NEPJUHHUSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]CCOCCO ZINC001177260354 820501672 /nfs/dbraw/zinc/50/16/72/820501672.db2.gz JRSZATVVFTXVKP-UHFFFAOYSA-N 1 0 274.361 -0.316 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001177277450 820502626 /nfs/dbraw/zinc/50/26/26/820502626.db2.gz SDTRJAYINGEBEN-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)OCC=C ZINC001177277229 820503210 /nfs/dbraw/zinc/50/32/10/820503210.db2.gz PTOPVXOENVYTSW-CHWSQXEVSA-N 1 0 295.383 -0.189 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)CCOCCOC ZINC001177304326 820503369 /nfs/dbraw/zinc/50/33/69/820503369.db2.gz WVSLXDSCVTXBRD-UHFFFAOYSA-N 1 0 286.372 -0.215 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177390253 820510085 /nfs/dbraw/zinc/51/00/85/820510085.db2.gz HEZOVNAJFTXWTO-UHFFFAOYSA-N 1 0 269.345 -0.612 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001177528014 820525263 /nfs/dbraw/zinc/52/52/63/820525263.db2.gz BFKWXBXTGFWHFY-CYBMUJFWSA-N 1 0 297.399 -0.120 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177596476 820527148 /nfs/dbraw/zinc/52/71/48/820527148.db2.gz PBDKCRPVXBOJQP-VIFPVBQESA-N 1 0 253.302 -0.679 20 30 CBEDRO C#CCC[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177867702 820546403 /nfs/dbraw/zinc/54/64/03/820546403.db2.gz PCPKAJDRJWNHGN-UHFFFAOYSA-N 1 0 268.361 -0.056 20 30 CBEDRO CC#CC[NH2+]CCCCCCNC(=O)CNC(N)=O ZINC001177869128 820546517 /nfs/dbraw/zinc/54/65/17/820546517.db2.gz USHULVSTAWECFS-UHFFFAOYSA-N 1 0 268.361 -0.056 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC)[C@H]1C ZINC001177973299 820550626 /nfs/dbraw/zinc/55/06/26/820550626.db2.gz QEBGJGOWXZUGML-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)[C@H]1C ZINC001177991866 820552480 /nfs/dbraw/zinc/55/24/80/820552480.db2.gz SLSUDFOQWAXBHI-SCVCMEIPSA-N 1 0 251.330 -0.277 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(F)F)[C@H]1C ZINC001178020115 820554019 /nfs/dbraw/zinc/55/40/19/820554019.db2.gz QYNUIQWXFJTRLY-GUBZILKMSA-N 1 0 287.310 -0.032 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C ZINC001178070329 820559453 /nfs/dbraw/zinc/55/94/53/820559453.db2.gz WSLDNQDCESMDPO-SCVCMEIPSA-N 1 0 251.330 -0.277 20 30 CBEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CSCC#N)[C@H]1C)C(N)=O ZINC001178148494 820567336 /nfs/dbraw/zinc/56/73/36/820567336.db2.gz WUCUNKZTQJDTMM-UTLUCORTSA-N 1 0 284.385 -0.304 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@H]1C ZINC001178206429 820568327 /nfs/dbraw/zinc/56/83/27/820568327.db2.gz QARXZRWBZQROSU-QWRGUYRKSA-N 1 0 290.323 -0.383 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)[C@H]1C ZINC001178226687 820570029 /nfs/dbraw/zinc/57/00/29/820570029.db2.gz SEZXMZDLFJBVGK-TUAOUCFPSA-N 1 0 283.372 -0.098 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)[C@H]1C ZINC001178226423 820570047 /nfs/dbraw/zinc/57/00/47/820570047.db2.gz RLTWCADKPDLSGK-XQHKEYJVSA-N 1 0 295.383 -0.262 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccon1 ZINC001178217248 820570162 /nfs/dbraw/zinc/57/01/62/820570162.db2.gz WPRBJDYGMGETDE-UWVGGRQHSA-N 1 0 291.311 -0.493 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001178276824 820572747 /nfs/dbraw/zinc/57/27/47/820572747.db2.gz IHCNJVVYNPLGLR-XYYAHUGASA-N 1 0 266.341 -0.668 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)[C@H](C)NC(N)=O ZINC001178298236 820575084 /nfs/dbraw/zinc/57/50/84/820575084.db2.gz KBQLQTFCALSVJY-NSHDSACASA-N 1 0 268.361 -0.057 20 30 CBEDRO COC[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178309086 820575507 /nfs/dbraw/zinc/57/55/07/820575507.db2.gz UCNQJZIZXOKIET-SRVKXCTJSA-N 1 0 296.371 -0.512 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178335803 820575844 /nfs/dbraw/zinc/57/58/44/820575844.db2.gz KLIPUTRMBONKKW-RYUDHWBXSA-N 1 0 294.355 -0.592 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001178351566 820576842 /nfs/dbraw/zinc/57/68/42/820576842.db2.gz QTGRIKRMFFRNEN-UTLUCORTSA-N 1 0 252.318 -0.529 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)COCCOC)[C@H]1C ZINC001178366917 820578327 /nfs/dbraw/zinc/57/83/27/820578327.db2.gz RSBGTECWESNJDV-RYUDHWBXSA-N 1 0 254.330 -0.138 20 30 CBEDRO C#CCC[NH2+]CCCCCCNC(=O)Cn1ncnn1 ZINC001178491199 820583713 /nfs/dbraw/zinc/58/37/13/820583713.db2.gz YSPNMUYFGWIDKT-UHFFFAOYSA-N 1 0 278.360 -0.037 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178572591 820591226 /nfs/dbraw/zinc/59/12/26/820591226.db2.gz MKROJXDMWFOTGX-COPLHBTASA-N 1 0 283.372 -0.362 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178606448 820591643 /nfs/dbraw/zinc/59/16/43/820591643.db2.gz WSDGKABGBOOSEV-GARJFASQSA-N 1 0 265.313 -0.303 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC(C)(C)O ZINC001178567026 820592206 /nfs/dbraw/zinc/59/22/06/820592206.db2.gz LBXQMJRSSHMACM-QWRGUYRKSA-N 1 0 296.371 -0.634 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001178573131 820592367 /nfs/dbraw/zinc/59/23/67/820592367.db2.gz ZCRHZGBDIPWKIO-GVXVVHGQSA-N 1 0 256.346 -0.115 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC2(F)F)[C@H]1C ZINC001178632078 820593484 /nfs/dbraw/zinc/59/34/84/820593484.db2.gz DLCIVNZLMZVPDY-DCAQKATOSA-N 1 0 299.321 -0.030 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC001178636766 820594414 /nfs/dbraw/zinc/59/44/14/820594414.db2.gz ISZZMLRYUCPRFC-QWRGUYRKSA-N 1 0 289.339 -0.648 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001178674891 820594724 /nfs/dbraw/zinc/59/47/24/820594724.db2.gz ARLFLZUEQWQHLW-XQQFMLRXSA-N 1 0 268.357 -0.014 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)[C@@H]1C ZINC001178682259 820596667 /nfs/dbraw/zinc/59/66/67/820596667.db2.gz ZXRBHQIQPNRPNK-AGIUHOORSA-N 1 0 268.357 -0.014 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001179022943 820614163 /nfs/dbraw/zinc/61/41/63/820614163.db2.gz ZKYFBQBVEULJTL-RYUDHWBXSA-N 1 0 293.371 -0.263 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179439236 820627018 /nfs/dbraw/zinc/62/70/18/820627018.db2.gz JKNHBFNRSWFOOU-GARJFASQSA-N 1 0 264.329 -0.730 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446213 820628490 /nfs/dbraw/zinc/62/84/90/820628490.db2.gz CNUXISTVYVEPBT-UWVGGRQHSA-N 1 0 255.318 -0.747 20 30 CBEDRO 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C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001180949039 820742183 /nfs/dbraw/zinc/74/21/83/820742183.db2.gz JDSTUUBKQNKJQD-VXGBXAGGSA-N 1 0 288.351 -0.043 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001180993362 820745295 /nfs/dbraw/zinc/74/52/95/820745295.db2.gz IVLBILKOMGUGJE-GFCCVEGCSA-N 1 0 261.329 -0.118 20 30 CBEDRO CC[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181029082 820750305 /nfs/dbraw/zinc/75/03/05/820750305.db2.gz GNLNEGLUMCXODI-GHMZBOCLSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001181029538 820750533 /nfs/dbraw/zinc/75/05/33/820750533.db2.gz QDYGTGBDBPNBCV-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181081660 820753192 /nfs/dbraw/zinc/75/31/92/820753192.db2.gz MIUPXJZSSXOCNB-LLVKDONJSA-N 1 0 262.313 -0.136 20 30 CBEDRO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CSCC#N)C2)C1=O ZINC001181107167 820754852 /nfs/dbraw/zinc/75/48/52/820754852.db2.gz 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C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001181989594 820846925 /nfs/dbraw/zinc/84/69/25/820846925.db2.gz VGHSJYMBOXPEMW-NWDGAFQWSA-N 1 0 263.341 -0.274 20 30 CBEDRO CCOC(=O)[C@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182018489 820849716 /nfs/dbraw/zinc/84/97/16/820849716.db2.gz YOMFSNUGVWRUJV-QWRGUYRKSA-N 1 0 265.313 -0.100 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182018487 820851107 /nfs/dbraw/zinc/85/11/07/820851107.db2.gz YOMFSNUGVWRUJV-GHMZBOCLSA-N 1 0 265.313 -0.100 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC001182074835 820861014 /nfs/dbraw/zinc/86/10/14/820861014.db2.gz VCFDJKIFYXNHCD-QWHCGFSZSA-N 1 0 291.355 -0.321 20 30 CBEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCO)NC(C)=O ZINC001182137095 820879124 /nfs/dbraw/zinc/87/91/24/820879124.db2.gz FLZDQSPOKKGZDV-STQMWFEESA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCCOC)C1 ZINC001182145640 820882201 /nfs/dbraw/zinc/88/22/01/820882201.db2.gz 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C=C(C)C(=O)NCCC[NH2+]C[C@@H](O)CC(=O)OCC ZINC001253806731 825932054 /nfs/dbraw/zinc/93/20/54/825932054.db2.gz IUFPRMJWCCWHSD-NSHDSACASA-N 1 0 272.345 -0.028 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(N)=O)C2)CC1 ZINC001253805868 825932626 /nfs/dbraw/zinc/93/26/26/825932626.db2.gz UWCGNUXFDXJGCG-LBPRGKRZSA-N 1 0 278.356 -0.399 20 30 CBEDRO C#CCOCCOCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254321938 825952101 /nfs/dbraw/zinc/95/21/01/825952101.db2.gz NKZGDBLPDOENNP-NSHDSACASA-N 1 0 261.343 -0.571 20 30 CBEDRO NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001254322925 825952615 /nfs/dbraw/zinc/95/26/15/825952615.db2.gz XHAYFBMLYVYOCQ-JTQLQIEISA-N 1 0 281.337 -0.322 20 30 CBEDRO CCOC(=O)CN1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001254400040 825960299 /nfs/dbraw/zinc/96/02/99/825960299.db2.gz XOLMZDNAKZAWRK-GWCFXTLKSA-N 1 0 299.371 -0.160 20 30 CBEDRO CC[NH+](CC)CCN(CCOC)C(=O)NCC#CCO ZINC001254503076 825963834 /nfs/dbraw/zinc/96/38/34/825963834.db2.gz NDONURRLKKSCDN-UHFFFAOYSA-N 1 0 285.388 -0.018 20 30 CBEDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254649190 825967547 /nfs/dbraw/zinc/96/75/47/825967547.db2.gz QPODWQKYTGIXNH-AEJSXWLSSA-N 1 0 253.302 -0.054 20 30 CBEDRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001256329517 826010921 /nfs/dbraw/zinc/01/09/21/826010921.db2.gz HZGFMZSBJFVPHO-UMNHJUIQSA-N 1 0 285.344 -0.551 20 30 CBEDRO CC(=O)N1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001256585562 826026589 /nfs/dbraw/zinc/02/65/89/826026589.db2.gz SFYYOJCONWETGX-GFCCVEGCSA-N 1 0 280.372 -0.186 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001256584974 826027382 /nfs/dbraw/zinc/02/73/82/826027382.db2.gz MEFGRRWPBSHIET-TXEJJXNPSA-N 1 0 251.330 -0.161 20 30 CBEDRO N#CCCCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001257075774 826040009 /nfs/dbraw/zinc/04/00/09/826040009.db2.gz YGSNYTVSSFUXAP-UHFFFAOYSA-N 1 0 296.371 -0.365 20 30 CBEDRO CCCCCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257363298 826046843 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COC[C@](C)(NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)OC ZINC001261425338 826511578 /nfs/dbraw/zinc/51/15/78/826511578.db2.gz WBRYNDKAWWJSEI-CABZTGNLSA-N 1 0 271.317 -0.298 20 30 CBEDRO COCCOC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC001261458211 826516215 /nfs/dbraw/zinc/51/62/15/826516215.db2.gz PLOUQHXCRXCOAX-VXGBXAGGSA-N 1 0 258.318 -0.639 20 30 CBEDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 ZINC001261480942 826521301 /nfs/dbraw/zinc/52/13/01/826521301.db2.gz GBDILQVXKFNPSS-NXEZZACHSA-N 1 0 260.363 -0.254 20 30 CBEDRO [NH3+][C@H]1C[C@@H](C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC001261494399 826525291 /nfs/dbraw/zinc/52/52/91/826525291.db2.gz PMEQTBDJIFZETH-GGEGECSYSA-N 1 0 278.312 -0.634 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@H]2CC23CC[NH2+]CC3)n1 ZINC001261527188 826533332 /nfs/dbraw/zinc/53/33/32/826533332.db2.gz JECBPHTVBZTFFM-VIFPVBQESA-N 1 0 260.301 -0.592 20 30 CBEDRO C#CCNC(=O)CN1CC[NH+](CCC2OCCCO2)CC1 ZINC001261544133 826535922 /nfs/dbraw/zinc/53/59/22/826535922.db2.gz IEODNKSUEOHJHC-UHFFFAOYSA-N 1 0 295.383 -0.494 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001261627029 826547339 /nfs/dbraw/zinc/54/73/39/826547339.db2.gz LBKNALANKFETOM-GFCCVEGCSA-N 1 0 283.372 -0.238 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H](C)COC ZINC001261633673 826549069 /nfs/dbraw/zinc/54/90/69/826549069.db2.gz MHKPEJVZLVSRAV-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCN(C(=O)C(=O)N(C)CC[NH2+]C)[C@@H](C)COC ZINC001261646135 826555220 /nfs/dbraw/zinc/55/52/20/826555220.db2.gz YCTACXTZBFVHGH-NSHDSACASA-N 1 0 271.361 -0.286 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001261700438 826563314 /nfs/dbraw/zinc/56/33/14/826563314.db2.gz HGNVGJGCUFBGCN-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001261700392 826563629 /nfs/dbraw/zinc/56/36/29/826563629.db2.gz GKQGNTBAKCBEIX-GFCCVEGCSA-N 1 0 295.383 -0.259 20 30 CBEDRO O=C(CCNC(=O)C1N=CC=CC1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001262009861 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CBEDRO C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001262204103 826661961 /nfs/dbraw/zinc/66/19/61/826661961.db2.gz KHBJYPNTWUESSI-KGLIPLIRSA-N 1 0 289.379 -0.085 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)COCC(=O)OC)CC1 ZINC001262209291 826664186 /nfs/dbraw/zinc/66/41/86/826664186.db2.gz FNAADYMRIUWQSA-UHFFFAOYSA-N 1 0 268.313 -0.610 20 30 CBEDRO C#CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001262366496 826683381 /nfs/dbraw/zinc/68/33/81/826683381.db2.gz IUHJINFBTSWLQN-GFCCVEGCSA-N 1 0 251.330 -0.858 20 30 CBEDRO COC(=O)[C@H]1C[N@H+](CCOCCC#N)C[C@H]1C(=O)OC ZINC001262483351 826693665 /nfs/dbraw/zinc/69/36/65/826693665.db2.gz CCXBPDMIGYKRRM-PHIMTYICSA-N 1 0 284.312 -0.189 20 30 CBEDRO N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001262489692 826694520 /nfs/dbraw/zinc/69/45/20/826694520.db2.gz GJZMLQHNNZOZFY-UONOGXRCSA-N 1 0 294.330 -0.195 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001262489693 826694697 /nfs/dbraw/zinc/69/46/97/826694697.db2.gz 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C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001268333539 827305754 /nfs/dbraw/zinc/30/57/54/827305754.db2.gz FCCYQTBKGWNAIY-YPMHNXCESA-N 1 0 290.367 -0.395 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001268333536 827306238 /nfs/dbraw/zinc/30/62/38/827306238.db2.gz FCCYQTBKGWNAIY-AAEUAGOBSA-N 1 0 290.367 -0.395 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001268335286 827307331 /nfs/dbraw/zinc/30/73/31/827307331.db2.gz KXGKWYGXWBPFRZ-GWCFXTLKSA-N 1 0 292.383 -0.095 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001268338253 827309788 /nfs/dbraw/zinc/30/97/88/827309788.db2.gz MSWDPMSBJOMTPS-IUODEOHRSA-N 1 0 295.383 -0.475 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccccn1 ZINC001268340583 827311171 /nfs/dbraw/zinc/31/11/71/827311171.db2.gz UQKOKLWILKCBGI-LBPRGKRZSA-N 1 0 288.351 -0.071 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268355724 827314607 /nfs/dbraw/zinc/31/46/07/827314607.db2.gz 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COC[C@H](O)C[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001268518935 827350960 /nfs/dbraw/zinc/35/09/60/827350960.db2.gz AUSFGRDBTPOEQG-ZZKXABKFSA-N 1 0 292.339 -0.231 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C1=CCOCC1 ZINC001268535709 827357367 /nfs/dbraw/zinc/35/73/67/827357367.db2.gz UVHDZEQRRGMMKN-ONEGZZNKSA-N 1 0 291.351 -0.656 20 30 CBEDRO CC(C)C#CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001268536292 827358478 /nfs/dbraw/zinc/35/84/78/827358478.db2.gz JJVNJNVNALUQHP-ONEGZZNKSA-N 1 0 280.328 -0.897 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C1(C)CC1 ZINC001268539665 827359439 /nfs/dbraw/zinc/35/94/39/827359439.db2.gz KVODYTLOBAMIJB-SNAWJCMRSA-N 1 0 263.341 -0.202 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001268692938 827404998 /nfs/dbraw/zinc/40/49/98/827404998.db2.gz OXVRHIWYURGCIZ-GWCFXTLKSA-N 1 0 251.330 -0.370 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccns1 ZINC001268546226 827360144 /nfs/dbraw/zinc/36/01/44/827360144.db2.gz XLMNRPJVQRVRRK-UPHRSURJSA-N 1 0 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828025445 /nfs/dbraw/zinc/02/54/45/828025445.db2.gz MMKDMOKMDDIPER-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](OC)C1CC1 ZINC001274740638 828025982 /nfs/dbraw/zinc/02/59/82/828025982.db2.gz YPLFEIFCWCHNOX-ZWNOBZJWSA-N 1 0 281.356 -0.745 20 30 CBEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001274741333 828026091 /nfs/dbraw/zinc/02/60/91/828026091.db2.gz MMGWXESCLVICKQ-ZDUSSCGKSA-N 1 0 296.415 -0.179 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001274759397 828028508 /nfs/dbraw/zinc/02/85/08/828028508.db2.gz ACPLHCHKIHSLHD-SUNKGSAMSA-N 1 0 281.356 -0.581 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001274748236 828028556 /nfs/dbraw/zinc/02/85/56/828028556.db2.gz XVNXBSLJNYWIFX-NSHDSACASA-N 1 0 292.339 -0.543 20 30 CBEDRO C#CCN1C[C@]2(CCN(c3c[nH+]cn3C)C2)OCC1=O ZINC001274758236 828029105 /nfs/dbraw/zinc/02/91/05/828029105.db2.gz FKMUWTXDBGZQRP-CQSZACIVSA-N 1 0 274.324 -0.139 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001274753531 828029351 /nfs/dbraw/zinc/02/93/51/828029351.db2.gz VVRBDDUISIABBK-MNOVXSKESA-N 1 0 269.345 -0.745 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001274803716 828031744 /nfs/dbraw/zinc/03/17/44/828031744.db2.gz GNXWQUXODRVGJJ-QWHCGFSZSA-N 1 0 295.383 -0.211 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001274817154 828031912 /nfs/dbraw/zinc/03/19/12/828031912.db2.gz APILFHZWMHRTNH-SECBINFHSA-N 1 0 260.359 -0.299 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)CCNC(N)=O ZINC001274829372 828033738 /nfs/dbraw/zinc/03/37/38/828033738.db2.gz RVMVQVNBJYKGPN-JTQLQIEISA-N 1 0 254.334 -0.448 20 30 CBEDRO C=CC[NH+]1CCC(CO)(NC(=O)CCn2cncn2)CC1 ZINC001274892220 828038014 /nfs/dbraw/zinc/03/80/14/828038014.db2.gz YOVKRFIUXNPSKC-UHFFFAOYSA-N 1 0 293.371 -0.203 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCOC2)CC1 ZINC001274897286 828038209 /nfs/dbraw/zinc/03/82/09/828038209.db2.gz PNTUDTCGLNAAQL-GFCCVEGCSA-N 1 0 266.341 -0.401 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001274891823 828039057 /nfs/dbraw/zinc/03/90/57/828039057.db2.gz REXJYQQDTWLCSH-UHFFFAOYSA-N 1 0 290.323 -0.628 20 30 CBEDRO C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274910468 828039849 /nfs/dbraw/zinc/03/98/49/828039849.db2.gz LYRGVFRIQUACIY-GHMZBOCLSA-N 1 0 283.328 -0.219 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2COC(=O)C2)CC1 ZINC001274903469 828039872 /nfs/dbraw/zinc/03/98/72/828039872.db2.gz GJZOUHNCVJPWAF-GFCCVEGCSA-N 1 0 294.351 -0.484 20 30 CBEDRO C#CC[NH+]1CCC(CO)(NC(=O)Cc2ccn(C)n2)CC1 ZINC001274910591 828040098 /nfs/dbraw/zinc/04/00/98/828040098.db2.gz PDNFKWHXQMLZBA-UHFFFAOYSA-N 1 0 290.367 -0.461 20 30 CBEDRO C=CC[NH+]1CCC(CO)(NC(=O)CO[C@@H]2CCOC2)CC1 ZINC001274911019 828041931 /nfs/dbraw/zinc/04/19/31/828041931.db2.gz ZINCHGQFXGXVSE-CYBMUJFWSA-N 1 0 298.383 -0.079 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(CC)CC ZINC001274944072 828042916 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COCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278451324 828270852 /nfs/dbraw/zinc/27/08/52/828270852.db2.gz VQDWTPGDUFSNPQ-CYBMUJFWSA-N 1 0 282.344 -0.899 20 30 CBEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001278444089 828271041 /nfs/dbraw/zinc/27/10/41/828271041.db2.gz OCOOAATVCYFKCS-CQSZACIVSA-N 1 0 294.355 -0.353 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001278491817 828271370 /nfs/dbraw/zinc/27/13/70/828271370.db2.gz VCKNVQFSQWMICD-HNNXBMFYSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001278558121 828273924 /nfs/dbraw/zinc/27/39/24/828273924.db2.gz HIEIKUURHQYLNH-MNOVXSKESA-N 1 0 261.329 -0.064 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001278552054 828274191 /nfs/dbraw/zinc/27/41/91/828274191.db2.gz LXFRDXVOPCSZFZ-GHMZBOCLSA-N 1 0 251.330 -0.240 20 30 CBEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001278614059 828274384 /nfs/dbraw/zinc/27/43/84/828274384.db2.gz 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/nfs/dbraw/zinc/68/05/44/886680544.db2.gz KBRJXSQTLUMGMY-MROQNXINSA-N 1 0 293.367 -0.344 20 30 CBEDRO C#CCCCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001331141374 886691559 /nfs/dbraw/zinc/69/15/59/886691559.db2.gz RUXLUHJQWOHMEG-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001331165629 886703784 /nfs/dbraw/zinc/70/37/84/886703784.db2.gz IGMIMOMTIAAYJL-HAQNSBGRSA-N 1 0 281.356 -0.614 20 30 CBEDRO C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001331213835 886732008 /nfs/dbraw/zinc/73/20/08/886732008.db2.gz GFPHJUQSKKVJGA-MNOVXSKESA-N 1 0 268.361 -0.026 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)COC ZINC001331221956 886733833 /nfs/dbraw/zinc/73/38/33/886733833.db2.gz ULBPYFVSHYDZKQ-SDDRHHMPSA-N 1 0 283.372 -0.111 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCc1nc(C(N)=O)co1 ZINC001331244309 886748577 /nfs/dbraw/zinc/74/85/77/886748577.db2.gz MRNCMQIDLMZSNS-UHFFFAOYSA-N 1 0 252.274 -0.493 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC(N)=O ZINC001331270669 886760937 /nfs/dbraw/zinc/76/09/37/886760937.db2.gz UUHOKEPQFQSJQB-NSHDSACASA-N 1 0 251.330 -0.288 20 30 CBEDRO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001331291564 886768662 /nfs/dbraw/zinc/76/86/62/886768662.db2.gz XVCCCUAWOFNTJC-QWRGUYRKSA-N 1 0 294.355 -0.403 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001331318253 886773075 /nfs/dbraw/zinc/77/30/75/886773075.db2.gz JZCKHLWRQQRSLX-JTQLQIEISA-N 1 0 262.317 -0.717 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)COCC ZINC001331378893 886785933 /nfs/dbraw/zinc/78/59/33/886785933.db2.gz YDWVMAIZOGNTHC-LLVKDONJSA-N 1 0 269.345 -0.791 20 30 CBEDRO CCN(C(=O)NCC(=O)NCC#N)[C@@H]1CC[NH2+]C1 ZINC001331382086 886787411 /nfs/dbraw/zinc/78/74/11/886787411.db2.gz JWEUJXGQVZHZPN-SECBINFHSA-N 1 0 253.306 -0.980 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCO1 ZINC001331378577 886787506 /nfs/dbraw/zinc/78/75/06/886787506.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC001331506605 886824780 /nfs/dbraw/zinc/82/47/80/886824780.db2.gz SUZJAYUQWMRMSL-GDPRMGEGSA-N 1 0 278.312 -0.064 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001331549477 886841342 /nfs/dbraw/zinc/84/13/42/886841342.db2.gz YMRVDFARDPYCDQ-GWCFXTLKSA-N 1 0 251.330 -0.275 20 30 CBEDRO CC(C)(CC#N)CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331572201 886850386 /nfs/dbraw/zinc/85/03/86/886850386.db2.gz IQJXJMMZGVJGRR-UHFFFAOYSA-N 1 0 296.371 -0.333 20 30 CBEDRO C=C(CC)CNC(=O)C(=O)NCCOCC[NH2+]C ZINC001331571234 886850919 /nfs/dbraw/zinc/85/09/19/886850919.db2.gz DEIADHDOBPLPEO-UHFFFAOYSA-N 1 0 257.334 -0.579 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001331605048 886863184 /nfs/dbraw/zinc/86/31/84/886863184.db2.gz WLZNNFRSSIVYEX-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001331644560 886880558 /nfs/dbraw/zinc/88/05/58/886880558.db2.gz ONKGVWDVUHZLDP-GHMZBOCLSA-N 1 0 287.385 -0.862 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccncc1 ZINC001331665343 886890018 /nfs/dbraw/zinc/89/00/18/886890018.db2.gz OVFPVPAYZBCKED-LBPRGKRZSA-N 1 0 292.339 -0.936 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccccc1 ZINC001331666996 886894810 /nfs/dbraw/zinc/89/48/10/886894810.db2.gz OXFMCGPBRFUPBC-ZDUSSCGKSA-N 1 0 289.335 -0.884 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccnn1C ZINC001331683982 886903682 /nfs/dbraw/zinc/90/36/82/886903682.db2.gz NALVUVXQXJTTKD-JTQLQIEISA-N 1 0 250.302 -0.876 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C ZINC001331685955 886909354 /nfs/dbraw/zinc/90/93/54/886909354.db2.gz TZFSBWDSJDVPLO-LLVKDONJSA-N 1 0 266.345 -0.015 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001331698194 886917720 /nfs/dbraw/zinc/91/77/20/886917720.db2.gz VGBHOMKJLOCDFY-VHSXEESVSA-N 1 0 256.302 -0.808 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)c1cnnn1C ZINC001331706714 886920750 /nfs/dbraw/zinc/92/07/50/886920750.db2.gz LGNMPIDABCSEQD-SNVBAGLBSA-N 1 0 267.333 -0.538 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1nn(C)cc1C ZINC001331713217 886930263 /nfs/dbraw/zinc/93/02/63/886930263.db2.gz XEIQPSUMOWHDII-NSHDSACASA-N 1 0 266.345 -0.015 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccnn1C1CCC1 ZINC001331713157 886930303 /nfs/dbraw/zinc/93/03/03/886930303.db2.gz WQTOPPSWCZJNOW-NSHDSACASA-N 1 0 276.340 -0.078 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccc2n[nH]nc21 ZINC001331727406 886939261 /nfs/dbraw/zinc/93/92/61/886939261.db2.gz YHTBYMNBQPDCFU-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NCC#N ZINC001331725113 886939392 /nfs/dbraw/zinc/93/93/92/886939392.db2.gz MMTQSGANFUQKHL-NEPJUHHUSA-N 1 0 268.361 -0.549 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001331725011 886939918 /nfs/dbraw/zinc/93/99/18/886939918.db2.gz JGBCZPFXPZZDEW-LLVKDONJSA-N 1 0 290.323 -0.647 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001331737452 886945011 /nfs/dbraw/zinc/94/50/11/886945011.db2.gz AHVVSNGDUNTBAV-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccsn1 ZINC001331737694 886945856 /nfs/dbraw/zinc/94/58/56/886945856.db2.gz BKOQCRJJDHUJJK-SECBINFHSA-N 1 0 253.327 -0.153 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001331740121 886949696 /nfs/dbraw/zinc/94/96/96/886949696.db2.gz NYWOOMVXJHZEPX-NWDGAFQWSA-N 1 0 276.340 -0.855 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001331739429 886949746 /nfs/dbraw/zinc/94/97/46/886949746.db2.gz JOBBFWNHPPIOPT-NSHDSACASA-N 1 0 290.367 -0.008 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nc1 ZINC001331740000 886950349 /nfs/dbraw/zinc/95/03/49/886950349.db2.gz NPSCFVFBSVFPCA-LBPRGKRZSA-N 1 0 277.324 -0.206 20 30 CBEDRO C#CCC[NH+]1CCN(C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001331757563 886957578 /nfs/dbraw/zinc/95/75/78/886957578.db2.gz FPTVDVMCMMAKDW-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/96/26/16/886962616.db2.gz WPFGZDLDMRTFRM-STQMWFEESA-N 1 0 268.357 -0.109 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001331770650 886967006 /nfs/dbraw/zinc/96/70/06/886967006.db2.gz HZHCMBXGXUCJTJ-ZDUSSCGKSA-N 1 0 295.383 -0.521 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001331772999 886972189 /nfs/dbraw/zinc/97/21/89/886972189.db2.gz RYTVRETWNZUZDU-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC001331781042 886977477 /nfs/dbraw/zinc/97/74/77/886977477.db2.gz SXFTYWALRJIAPY-YNEHKIRRSA-N 1 0 295.383 -0.014 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001331786320 886978474 /nfs/dbraw/zinc/97/84/74/886978474.db2.gz BPZOIEHANMZUJK-ZWNOBZJWSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CCC1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001331788439 886981778 /nfs/dbraw/zinc/98/17/78/886981778.db2.gz VVFQULQEMPTBHM-NWDGAFQWSA-N 1 0 295.383 -0.312 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(CC)nc1C ZINC001331789465 886981858 /nfs/dbraw/zinc/98/18/58/886981858.db2.gz JGFSUKHAQIQHOW-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331788397 886982043 /nfs/dbraw/zinc/98/20/43/886982043.db2.gz VFKXSTMIWUIPFL-GRYCIOLGSA-N 1 0 299.371 -0.948 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@@H](CO)[NH2+]CCOCC)c1 ZINC001331786377 886982423 /nfs/dbraw/zinc/98/24/23/886982423.db2.gz BYSMYAMBRLILKE-AWEZNQCLSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc2nncn2c1 ZINC001331803665 886988667 /nfs/dbraw/zinc/98/86/67/886988667.db2.gz IFDUQESRLMDUSM-LBPRGKRZSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2cccnn21 ZINC001331803507 886988995 /nfs/dbraw/zinc/98/89/95/886988995.db2.gz HNYCUWCVVDAXSE-NSHDSACASA-N 1 0 272.308 -0.352 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001331803262 886989255 /nfs/dbraw/zinc/98/92/55/886989255.db2.gz 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COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1nocc1C ZINC001332589782 887366598 /nfs/dbraw/zinc/36/65/98/887366598.db2.gz ZDMQHHRIWFRCGL-GFCCVEGCSA-N 1 0 295.339 -0.345 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ncccc1OC ZINC001332591818 887369560 /nfs/dbraw/zinc/36/95/60/887369560.db2.gz MMSDODUMZDCYSZ-LLVKDONJSA-N 1 0 277.324 -0.254 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001332605057 887370896 /nfs/dbraw/zinc/37/08/96/887370896.db2.gz GBNJGDDMBLUFST-SNVBAGLBSA-N 1 0 250.302 -0.924 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1OC ZINC001332603149 887372053 /nfs/dbraw/zinc/37/20/53/887372053.db2.gz UYHJKMFBYSBLRN-JTQLQIEISA-N 1 0 280.328 -0.916 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001332617011 887376338 /nfs/dbraw/zinc/37/63/38/887376338.db2.gz QQSMHHBVLXASQY-UONOGXRCSA-N 1 0 298.383 -0.434 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1nonc1C ZINC001332616872 887376822 /nfs/dbraw/zinc/37/68/22/887376822.db2.gz PFIRETFVLDIOMB-VIFPVBQESA-N 1 0 254.290 -0.413 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001332616876 887378311 /nfs/dbraw/zinc/37/83/11/887378311.db2.gz PIMFFJOFOFBIFQ-NSHDSACASA-N 1 0 257.334 -0.940 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccn1CC ZINC001332632926 887385071 /nfs/dbraw/zinc/38/50/71/887385071.db2.gz LJPGOPAKGMNWCA-LBPRGKRZSA-N 1 0 278.356 -0.099 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001332631198 887386156 /nfs/dbraw/zinc/38/61/56/887386156.db2.gz CDVBDIXSAIGPHR-STQMWFEESA-N 1 0 297.399 -0.160 20 30 CBEDRO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC001332687012 887402423 /nfs/dbraw/zinc/40/24/23/887402423.db2.gz XJMSDQJTMWUTHW-GHMZBOCLSA-N 1 0 256.302 -0.493 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001332678642 887404184 /nfs/dbraw/zinc/40/41/84/887404184.db2.gz QVFRUOKKKGNUNU-LLVKDONJSA-N 1 0 294.355 -0.669 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001332858570 887453429 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296.371 -0.823 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001409066535 903844609 /nfs/dbraw/zinc/84/46/09/903844609.db2.gz BUAIWBITDBSFQH-SNVBAGLBSA-N 1 0 278.356 -0.043 20 30 CBEDRO CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N)C1CC1 ZINC001410588952 904137225 /nfs/dbraw/zinc/13/72/25/904137225.db2.gz NIGUVFLQZRCYSA-WDEREUQCSA-N 1 0 296.371 -0.776 20 30 CBEDRO CCn1cc(CC[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N)cn1 ZINC001410590334 904137305 /nfs/dbraw/zinc/13/73/05/904137305.db2.gz OKEDQQURZSNZOU-YPMHNXCESA-N 1 0 293.371 -0.328 20 30 CBEDRO CCn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N)cn1 ZINC001410590327 904137387 /nfs/dbraw/zinc/13/73/87/904137387.db2.gz OKEDQQURZSNZOU-WCQYABFASA-N 1 0 293.371 -0.328 20 30 CBEDRO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001410980676 904218271 /nfs/dbraw/zinc/21/82/71/904218271.db2.gz LFIBVLCHSGNLMH-CMPLNLGQSA-N 1 0 294.355 -0.056 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CCOCC1 ZINC001460521184 914798160 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CBEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CCOCC1 ZINC001413043849 904887342 /nfs/dbraw/zinc/88/73/42/904887342.db2.gz DNIFHOXMXKOCGN-XQQFMLRXSA-N 1 0 284.356 -0.515 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CCC1 ZINC001413966552 905290006 /nfs/dbraw/zinc/29/00/06/905290006.db2.gz CIAIUFSWHFACJE-MNOVXSKESA-N 1 0 287.385 -0.206 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001417761570 906043053 /nfs/dbraw/zinc/04/30/53/906043053.db2.gz LTWSANLSJYUTDF-XWLWVQCSSA-N 1 0 291.359 -0.085 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001417781623 906051316 /nfs/dbraw/zinc/05/13/16/906051316.db2.gz LTWSANLSJYUTDF-LMLFDSFASA-N 1 0 291.359 -0.085 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001417781017 906052015 /nfs/dbraw/zinc/05/20/15/906052015.db2.gz IHONRCQYXIHEHB-IJLUTSLNSA-N 1 0 293.371 -0.344 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 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291.351 -0.331 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482786922 917284733 /nfs/dbraw/zinc/28/47/33/917284733.db2.gz CJVVENBPCXJMAU-BDAKNGLRSA-N 1 0 275.736 -0.916 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001482796889 917286387 /nfs/dbraw/zinc/28/63/87/917286387.db2.gz GGBUBLUWWLQKAI-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(=O)NC)c1 ZINC001482796744 917287737 /nfs/dbraw/zinc/28/77/37/917287737.db2.gz CMWKDSWUJCZUMM-CYBMUJFWSA-N 1 0 289.335 -0.640 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1csc2nccn12 ZINC001482792525 917287767 /nfs/dbraw/zinc/28/77/67/917287767.db2.gz ITCFMCAGWRSMNJ-NSHDSACASA-N 1 0 292.364 -0.362 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001482796891 917288886 /nfs/dbraw/zinc/28/88/86/917288886.db2.gz GGBUBLUWWLQKAI-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001482798491 917289663 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C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CCCO1 ZINC001482814053 917300028 /nfs/dbraw/zinc/30/00/28/917300028.db2.gz UXQSUKYBACPLJT-OLZOCXBDSA-N 1 0 295.383 -0.211 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001482818243 917301952 /nfs/dbraw/zinc/30/19/52/917301952.db2.gz LVGAQCHLEWICMD-ZJUUUORDSA-N 1 0 254.334 -0.281 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccnn1C ZINC001482815525 917302676 /nfs/dbraw/zinc/30/26/76/917302676.db2.gz QLKGYNJXIKELJA-NSHDSACASA-N 1 0 293.371 -0.180 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CNC(=O)OC ZINC001482816154 917302901 /nfs/dbraw/zinc/30/29/01/917302901.db2.gz XQFFERLSCITCON-JTQLQIEISA-N 1 0 255.318 -0.150 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001482846497 917309373 /nfs/dbraw/zinc/30/93/73/917309373.db2.gz XGNOYVWBSCLIHH-WDEREUQCSA-N 1 0 251.330 -0.227 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001482849694 917313291 /nfs/dbraw/zinc/31/32/91/917313291.db2.gz 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N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cc[nH]c1 ZINC001483009376 917374050 /nfs/dbraw/zinc/37/40/50/917374050.db2.gz BHXQWOWQXZQONH-UPHRSURJSA-N 1 0 275.312 -0.470 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001483015486 917374247 /nfs/dbraw/zinc/37/42/47/917374247.db2.gz LQVRJHBKJXHLEV-FJOGCWAESA-N 1 0 291.351 -0.191 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]CC(=O)NC ZINC001483007394 917375771 /nfs/dbraw/zinc/37/57/71/917375771.db2.gz KVMMMPKSWZECSI-ISALQUGTSA-N 1 0 267.329 -0.967 20 30 CBEDRO C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C)S(C)(=O)=O ZINC001483026846 917378512 /nfs/dbraw/zinc/37/85/12/917378512.db2.gz RSTPZRCKRGGFJW-ZADCQDASSA-N 1 0 272.370 -0.295 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCOC1 ZINC001483051685 917390114 /nfs/dbraw/zinc/39/01/14/917390114.db2.gz WWJFPXHAQXEOEU-VQTKUKTRSA-N 1 0 299.346 -0.321 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+]C/C=C/CNC(=O)C(N)=O ZINC001483051416 917393337 /nfs/dbraw/zinc/39/33/37/917393337.db2.gz AZPVPNFBHPOMNY-AATRIKPKSA-N 1 0 296.371 -0.842 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001483069969 917394789 /nfs/dbraw/zinc/39/47/89/917394789.db2.gz WCJMLOFKKPBHTQ-RPNDHJKISA-N 1 0 290.367 -0.066 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@]1(C)CCNC1=O ZINC001483058923 917396657 /nfs/dbraw/zinc/39/66/57/917396657.db2.gz MSFFGMTVOSFRPN-JZIMQPMSSA-N 1 0 293.367 -0.576 20 30 CBEDRO CC[C@H](NC(C)=O)C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001483061133 917397922 /nfs/dbraw/zinc/39/79/22/917397922.db2.gz FGQAAYJKSJPAGL-GJBLVYBDSA-N 1 0 295.383 -0.187 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)nc1 ZINC001483083303 917403216 /nfs/dbraw/zinc/40/32/16/917403216.db2.gz HDVWDMOCXFSINE-VQTKUKTRSA-N 1 0 298.346 -0.173 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)nc1 ZINC001483083302 917405951 /nfs/dbraw/zinc/40/59/51/917405951.db2.gz HDVWDMOCXFSINE-RDFMZFSFSA-N 1 0 298.346 -0.173 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cc(C(N)=O)ccn1 ZINC001483104294 917408899 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C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC1(O)CCC1 ZINC001483126349 917426905 /nfs/dbraw/zinc/42/69/05/917426905.db2.gz NDNAYOLPGQOZEW-NEPJUHHUSA-N 1 0 295.383 -0.476 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1cn(C)nc1OC ZINC001483155780 917441087 /nfs/dbraw/zinc/44/10/87/917441087.db2.gz DDRIFHVVGSIVMP-SECBINFHSA-N 1 0 250.302 -0.230 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](OC)C(C)C ZINC001483163628 917445606 /nfs/dbraw/zinc/44/56/06/917445606.db2.gz ILHXANGGEWKATK-DGCLKSJQSA-N 1 0 283.372 -0.499 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001483177463 917454531 /nfs/dbraw/zinc/45/45/31/917454531.db2.gz AHYPEAGHICEVES-SNVBAGLBSA-N 1 0 250.306 -0.819 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001483182686 917455780 /nfs/dbraw/zinc/45/57/80/917455780.db2.gz IUMOUJCAPWSRFE-BXUZGUMPSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001483200927 917460715 /nfs/dbraw/zinc/46/07/15/917460715.db2.gz 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CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN1CC(=O)NCC#N ZINC001483709709 917649051 /nfs/dbraw/zinc/64/90/51/917649051.db2.gz MJGGZSUUDGITQV-LBPRGKRZSA-N 1 0 295.387 -0.843 20 30 CBEDRO C=CCOCC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001483721765 917656229 /nfs/dbraw/zinc/65/62/29/917656229.db2.gz INXYRYZTSUPJBX-VIFPVBQESA-N 1 0 255.318 -0.699 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001483726848 917661416 /nfs/dbraw/zinc/66/14/16/917661416.db2.gz WXVYCACIBFKVON-LLVKDONJSA-N 1 0 263.341 -0.226 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@H](C)NC(=O)CC)CC1 ZINC001483736543 917665297 /nfs/dbraw/zinc/66/52/97/917665297.db2.gz VYQQXCISTCZJOW-JTQLQIEISA-N 1 0 251.330 -0.227 20 30 CBEDRO C=CC(C)(C)C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001483758472 917672043 /nfs/dbraw/zinc/67/20/43/917672043.db2.gz IRTBSIAESWFASA-UHFFFAOYSA-N 1 0 282.344 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CCOC2)CC1 ZINC001483764196 917672356 /nfs/dbraw/zinc/67/23/56/917672356.db2.gz GJVDYLFZKHIQDS-GFCCVEGCSA-N 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CBEDRO C[C@@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001484736562 917931258 /nfs/dbraw/zinc/93/12/58/917931258.db2.gz NWBKPKUBRGIIGL-UWVGGRQHSA-N 1 0 297.359 -0.490 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CCC[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001484736561 917931825 /nfs/dbraw/zinc/93/18/25/917931825.db2.gz NWBKPKUBRGIIGL-NXEZZACHSA-N 1 0 297.359 -0.490 20 30 CBEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001484835442 917943939 /nfs/dbraw/zinc/94/39/39/917943939.db2.gz FQVGPTDNTXYRPL-HIFRSBDPSA-N 1 0 280.368 -0.011 20 30 CBEDRO CC#CC[NH2+][C@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 ZINC001484833671 917944315 /nfs/dbraw/zinc/94/43/15/917944315.db2.gz SWSILQYTCPTCIP-CQSZACIVSA-N 1 0 276.340 -0.010 20 30 CBEDRO C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[nH]n2)C1 ZINC001484844696 917946030 /nfs/dbraw/zinc/94/60/30/917946030.db2.gz HQOLMSZCMLDNFW-CYBMUJFWSA-N 1 0 279.344 -0.063 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001484850191 917946281 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COCCCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001484878500 917954320 /nfs/dbraw/zinc/95/43/20/917954320.db2.gz COLJKROREHTYBS-RYUDHWBXSA-N 1 0 296.371 -0.511 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001484889068 917958241 /nfs/dbraw/zinc/95/82/41/917958241.db2.gz KKTTXJXONRGWLA-WDEREUQCSA-N 1 0 266.345 -0.625 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001484889060 917958958 /nfs/dbraw/zinc/95/89/58/917958958.db2.gz KKTTXJXONRGWLA-MNOVXSKESA-N 1 0 266.345 -0.625 20 30 CBEDRO CC#CC[NH2+][C@H]1CN(C(=O)CS(=O)(=O)CC)C[C@@H]1C ZINC001484909569 917962085 /nfs/dbraw/zinc/96/20/85/917962085.db2.gz OEBULVMZIKGJEC-RYUDHWBXSA-N 1 0 286.397 -0.119 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001484903506 917963302 /nfs/dbraw/zinc/96/33/02/917963302.db2.gz LKZNWLRGTWVHDY-VHSXEESVSA-N 1 0 292.343 -0.843 20 30 CBEDRO C=CCCOCC(=O)N1C[C@H]([NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001484909181 917963820 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C=CCOCC(=O)NCC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001484989568 917976162 /nfs/dbraw/zinc/97/61/62/917976162.db2.gz BGRVCGHZJCAOPD-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C#CC(C)C ZINC001484991655 917976959 /nfs/dbraw/zinc/97/69/59/917976959.db2.gz BEZKPSONEUAHHI-NSHDSACASA-N 1 0 253.346 -0.124 20 30 CBEDRO C[C@@H](CCNC(=O)C#CC1CC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001484992361 917978291 /nfs/dbraw/zinc/97/82/91/917978291.db2.gz KHCFOOLIVVNADP-JQWIXIFHSA-N 1 0 291.351 -0.311 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](F)CC ZINC001484996991 917978322 /nfs/dbraw/zinc/97/83/22/917978322.db2.gz JTCNZATZGVOIGE-WDEREUQCSA-N 1 0 271.336 -0.032 20 30 CBEDRO C#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001484992568 917978813 /nfs/dbraw/zinc/97/88/13/917978813.db2.gz CVJLMJCJBZKBQT-VHSXEESVSA-N 1 0 254.334 -0.449 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001485091046 917994947 /nfs/dbraw/zinc/99/49/47/917994947.db2.gz 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/nfs/dbraw/zinc/00/32/30/918003230.db2.gz IMUQXNORZQAKOY-UWVGGRQHSA-N 1 0 251.330 -0.371 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001485145710 918009646 /nfs/dbraw/zinc/00/96/46/918009646.db2.gz DVHWQDWWWDIORX-RKDXNWHRSA-N 1 0 280.332 -0.954 20 30 CBEDRO COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001485142386 918010276 /nfs/dbraw/zinc/01/02/76/918010276.db2.gz NUMBCKYDMTUFRY-NEPJUHHUSA-N 1 0 295.383 -0.403 20 30 CBEDRO C[C@@H]([NH2+]CCOCCO)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001485140519 918010968 /nfs/dbraw/zinc/01/09/68/918010968.db2.gz RSTAYMRJLFUHOH-MNOVXSKESA-N 1 0 294.355 -0.008 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCNC(=O)COC ZINC001485156146 918014952 /nfs/dbraw/zinc/01/49/52/918014952.db2.gz WTJZKBOVZCIBLD-GHMZBOCLSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001485167152 918020250 /nfs/dbraw/zinc/02/02/50/918020250.db2.gz UOLVNUQOUUDMTB-DTWKUNHWSA-N 1 0 299.352 -0.343 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001485207730 918026376 /nfs/dbraw/zinc/02/63/76/918026376.db2.gz VOLHVLXIAYRGFL-NXEZZACHSA-N 1 0 250.306 -0.821 20 30 CBEDRO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cnnn1 ZINC001485244553 918036028 /nfs/dbraw/zinc/03/60/28/918036028.db2.gz IAZRVSPYSGDBGG-UHFFFAOYSA-N 1 0 278.360 -0.229 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001485279211 918050986 /nfs/dbraw/zinc/05/09/86/918050986.db2.gz PTAZYWCAPUYKHJ-RYUDHWBXSA-N 1 0 254.330 -0.138 20 30 CBEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001485283924 918052421 /nfs/dbraw/zinc/05/24/21/918052421.db2.gz BXYRQXNEVSCSCK-ZJUUUORDSA-N 1 0 284.360 -0.028 20 30 CBEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001485311479 918069376 /nfs/dbraw/zinc/06/93/76/918069376.db2.gz AELFCFBSSCXHIC-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001485323826 918074433 /nfs/dbraw/zinc/07/44/33/918074433.db2.gz UPPXZIKMBWCNTC-STQMWFEESA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CCC)S(N)(=O)=O ZINC001485333111 918080822 /nfs/dbraw/zinc/08/08/22/918080822.db2.gz WCFVFANASLSVQG-QWRGUYRKSA-N 1 0 289.401 -0.487 20 30 CBEDRO C[C@@H](CNC(=O)C(N)=O)[N@H+](C)Cc1cccc(C#N)c1 ZINC001485345511 918085466 /nfs/dbraw/zinc/08/54/66/918085466.db2.gz MUUVIRZGGFFREM-JTQLQIEISA-N 1 0 274.324 -0.020 20 30 CBEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001485356727 918094653 /nfs/dbraw/zinc/09/46/53/918094653.db2.gz KWZSKFNQAIKXNS-WDEREUQCSA-N 1 0 291.417 -0.063 20 30 CBEDRO CC#CCN1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001485424418 918121918 /nfs/dbraw/zinc/12/19/18/918121918.db2.gz FOBWEPQMETWLKK-ZDUSSCGKSA-N 1 0 279.384 -0.486 20 30 CBEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C(=O)NCC(F)F)C1 ZINC001485511696 918136051 /nfs/dbraw/zinc/13/60/51/918136051.db2.gz JWQOMPWGWVWQHT-MRVPVSSYSA-N 1 0 275.299 -0.010 20 30 CBEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001485506978 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289.379 -0.172 20 30 CBEDRO C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CNC(=O)OC)[C@@H]2C1 ZINC001485591862 918152535 /nfs/dbraw/zinc/15/25/35/918152535.db2.gz WPJQMKFXDRRMSV-RTCCRHLQSA-N 1 0 267.329 -0.178 20 30 CBEDRO C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001485632860 918157574 /nfs/dbraw/zinc/15/75/74/918157574.db2.gz BUMGLXVLELHXGL-CMPLNLGQSA-N 1 0 279.344 -0.180 20 30 CBEDRO C[C@@H]([NH2+]CCCO)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001485632755 918158394 /nfs/dbraw/zinc/15/83/94/918158394.db2.gz APQAKRGPRCERQR-OCCSQVGLSA-N 1 0 280.368 -0.012 20 30 CBEDRO CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001485634869 918159356 /nfs/dbraw/zinc/15/93/56/918159356.db2.gz OSQKAALGEFWRKO-NWDGAFQWSA-N 1 0 291.355 -0.343 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001485638204 918160087 /nfs/dbraw/zinc/16/00/87/918160087.db2.gz WXNBOESQVURRBN-AAEUAGOBSA-N 1 0 274.324 -0.071 20 30 CBEDRO CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001485634871 918160524 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C=CC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485693926 918170421 /nfs/dbraw/zinc/17/04/21/918170421.db2.gz RUAPDIUFMIMCCW-MGCOHNPYSA-N 1 0 296.371 -0.122 20 30 CBEDRO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cnnn2)C1 ZINC001485700715 918171140 /nfs/dbraw/zinc/17/11/40/918171140.db2.gz OQGHMDDQFXKIMN-HAQNSBGRSA-N 1 0 276.344 -0.429 20 30 CBEDRO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001485734972 918177157 /nfs/dbraw/zinc/17/71/57/918177157.db2.gz FNNNAOLGOYNTTB-GHMZBOCLSA-N 1 0 266.345 -0.434 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001485739517 918177815 /nfs/dbraw/zinc/17/78/15/918177815.db2.gz UWERYVSTLQWLER-MXWKQRLJSA-N 1 0 251.330 -0.385 20 30 CBEDRO COCC#CC[N@H+](C)C1CCN(C(=O)C(N)=O)CC1 ZINC001485763491 918181635 /nfs/dbraw/zinc/18/16/35/918181635.db2.gz UYCPLGQKMQGMAI-UHFFFAOYSA-N 1 0 267.329 -0.956 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)c1nccnc1N ZINC001485771166 918185595 /nfs/dbraw/zinc/18/55/95/918185595.db2.gz 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COCC#CC[NH2+][C@@H](CO)CNC(=O)C1CCOCC1 ZINC001485967207 918247347 /nfs/dbraw/zinc/24/73/47/918247347.db2.gz MDIPXEJSBQJABA-CYBMUJFWSA-N 1 0 284.356 -0.871 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CSCC#N ZINC001485975270 918263815 /nfs/dbraw/zinc/26/38/15/918263815.db2.gz PJUBQLVXWXQZQZ-SNVBAGLBSA-N 1 0 257.359 -0.114 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)/C=C(\C)C1CC1 ZINC001485978391 918268077 /nfs/dbraw/zinc/26/80/77/918268077.db2.gz YXBGBRWUTFRQES-SVTZGKHISA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(CC)C1=O ZINC001485980745 918271925 /nfs/dbraw/zinc/27/19/25/918271925.db2.gz YVCQCMZWALUJCN-NEPJUHHUSA-N 1 0 283.372 -0.360 20 30 CBEDRO Cc1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N)cn1 ZINC001485980452 918272978 /nfs/dbraw/zinc/27/29/78/918272978.db2.gz VOEQGAYYCBHFDO-CABZTGNLSA-N 1 0 277.328 -0.489 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001485983202 918277448 /nfs/dbraw/zinc/27/74/48/918277448.db2.gz SDURWIZSNAKOHI-GXSJLCMTSA-N 1 0 265.317 -0.854 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001485993069 918288264 /nfs/dbraw/zinc/28/82/64/918288264.db2.gz ZKWQAMAIXGVSFP-JTQLQIEISA-N 1 0 267.333 -0.538 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001485993249 918289834 /nfs/dbraw/zinc/28/98/34/918289834.db2.gz DFFKVIQIBICORP-WCQYABFASA-N 1 0 295.383 -0.620 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001486002055 918294541 /nfs/dbraw/zinc/29/45/41/918294541.db2.gz NROHCMSLOQIKIX-GFCCVEGCSA-N 1 0 289.335 -0.022 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)CCc1ccncn1 ZINC001486000694 918295948 /nfs/dbraw/zinc/29/59/48/918295948.db2.gz VUVMOVHYNXSPRQ-LBPRGKRZSA-N 1 0 264.329 -0.338 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn2ccncc12 ZINC001486003534 918298698 /nfs/dbraw/zinc/29/86/98/918298698.db2.gz FOBGMVBOEZEBIM-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1(COC)CCOCC1 ZINC001486003673 918299277 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C=CCC[NH2+][C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001486018696 918309469 /nfs/dbraw/zinc/30/94/69/918309469.db2.gz CHBQVZQIKXLUBY-SNVBAGLBSA-N 1 0 281.312 -0.365 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)cc1 ZINC001486024161 918315936 /nfs/dbraw/zinc/31/59/36/918315936.db2.gz ZJUSANPNSVMTQN-BXUZGUMPSA-N 1 0 276.336 -0.271 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)nc[nH]c1=O ZINC001486025244 918317689 /nfs/dbraw/zinc/31/76/89/918317689.db2.gz HQMWKPUACALANK-SNVBAGLBSA-N 1 0 278.312 -0.806 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccoc1CC(N)=O ZINC001486026998 918318266 /nfs/dbraw/zinc/31/82/66/918318266.db2.gz JFGGHDODDIAGJM-SNVBAGLBSA-N 1 0 293.323 -0.989 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc(C)co1 ZINC001486026195 918321166 /nfs/dbraw/zinc/32/11/66/918321166.db2.gz PZHMTSCRELNKLS-LLVKDONJSA-N 1 0 295.339 -0.429 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C)CC(=C)C1 ZINC001486035219 918326330 /nfs/dbraw/zinc/32/63/30/918326330.db2.gz WYPNTXNSVJNGLZ-GFCCVEGCSA-N 1 0 295.383 -0.288 20 30 CBEDRO C=C1CCC(C(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001486032834 918328201 /nfs/dbraw/zinc/32/82/01/918328201.db2.gz UMKIHQGELXWARS-CMPLNLGQSA-N 1 0 283.372 -0.327 20 30 CBEDRO CCc1ncoc1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001486033413 918328254 /nfs/dbraw/zinc/32/82/54/918328254.db2.gz IIIZQVFFWSQDDJ-NSHDSACASA-N 1 0 295.339 -0.433 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)CCC1 ZINC001486032829 918328611 /nfs/dbraw/zinc/32/86/11/918328611.db2.gz UMBJTJQQUOWCPE-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C)nc1OC ZINC001486041858 918337031 /nfs/dbraw/zinc/33/70/31/918337031.db2.gz ZXHWQKNSVNMDNC-NSHDSACASA-N 1 0 277.324 -0.288 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)CNC(C)=O ZINC001486043156 918338381 /nfs/dbraw/zinc/33/83/81/918338381.db2.gz DFDMGUMNCUDWDP-LLVKDONJSA-N 1 0 271.361 -0.599 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn2nccc2nc1C ZINC001486047751 918341701 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CC#CC[NH2+][C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@@H]1C ZINC001486082784 918358708 /nfs/dbraw/zinc/35/87/08/918358708.db2.gz HAXSWKOTRIHJSF-ZJUUUORDSA-N 1 0 287.310 -0.030 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1C ZINC001486091406 918363401 /nfs/dbraw/zinc/36/34/01/918363401.db2.gz HUIWFPCXMNGUAO-GHMZBOCLSA-N 1 0 287.385 -0.910 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(F)F)C1 ZINC001486098958 918363821 /nfs/dbraw/zinc/36/38/21/918363821.db2.gz UBXUGLNOQHBMKJ-RKDXNWHRSA-N 1 0 273.283 -0.420 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC001486098018 918364062 /nfs/dbraw/zinc/36/40/62/918364062.db2.gz ZTJUDXQNZDTQMR-MNOVXSKESA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC001486108518 918367067 /nfs/dbraw/zinc/36/70/67/918367067.db2.gz JFTADHMXUFKUQX-JSGCOSHPSA-N 1 0 287.363 -0.272 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(=O)NCC)C1 ZINC001486110702 918367668 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C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001486260044 918392697 /nfs/dbraw/zinc/39/26/97/918392697.db2.gz JLFNDUFEEAHGDP-NSHDSACASA-N 1 0 268.313 -0.693 20 30 CBEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001486263980 918396483 /nfs/dbraw/zinc/39/64/83/918396483.db2.gz AXGFENRXJOWNHW-MNOVXSKESA-N 1 0 284.360 -0.967 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(C)C ZINC001486261912 918397966 /nfs/dbraw/zinc/39/79/66/918397966.db2.gz OMNLFRCSFGWQSW-RYUDHWBXSA-N 1 0 283.372 -0.811 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486263986 918398075 /nfs/dbraw/zinc/39/80/75/918398075.db2.gz AAKFOCSCPSRUAB-NSHDSACASA-N 1 0 280.328 -0.918 20 30 CBEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001486263981 918399356 /nfs/dbraw/zinc/39/93/56/918399356.db2.gz AXGFENRXJOWNHW-QWRGUYRKSA-N 1 0 284.360 -0.967 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486268937 918400699 /nfs/dbraw/zinc/40/06/99/918400699.db2.gz WAUBYECIGOXBHT-OLZOCXBDSA-N 1 0 285.388 -0.698 20 30 CBEDRO CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001486272104 918400951 /nfs/dbraw/zinc/40/09/51/918400951.db2.gz UITPAYCTEQPNQI-PWSUYJOCSA-N 1 0 294.355 -0.056 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccnn1CC ZINC001486271987 918403221 /nfs/dbraw/zinc/40/32/21/918403221.db2.gz FZNPMTITUPBBFO-LBPRGKRZSA-N 1 0 278.356 -0.051 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001486274623 918404969 /nfs/dbraw/zinc/40/49/69/918404969.db2.gz KEKPHOILOPHENN-LBPRGKRZSA-N 1 0 276.340 -0.169 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001486275804 918405079 /nfs/dbraw/zinc/40/50/79/918405079.db2.gz WEBLMCHFZKPTFJ-NWDGAFQWSA-N 1 0 258.362 -0.012 20 30 CBEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC1)C(=O)N(C)C ZINC001486276116 918405526 /nfs/dbraw/zinc/40/55/26/918405526.db2.gz CIEJDKKEINMBAX-WCQYABFASA-N 1 0 295.383 -0.715 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](OCC)C1CC1 ZINC001486277117 918406047 /nfs/dbraw/zinc/40/60/47/918406047.db2.gz CRQNUJXEKVVQAI-OLZOCXBDSA-N 1 0 268.357 -0.156 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001486283328 918409332 /nfs/dbraw/zinc/40/93/32/918409332.db2.gz VLNCZCGUOTWVRM-IJLUTSLNSA-N 1 0 276.340 -0.445 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001486284850 918410553 /nfs/dbraw/zinc/41/05/53/918410553.db2.gz BNFHLUGLCIYNRT-KBPBESRZSA-N 1 0 295.383 -0.713 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001486286045 918410968 /nfs/dbraw/zinc/41/09/68/918410968.db2.gz TYQTWOPHGAGXSM-JTQLQIEISA-N 1 0 280.328 -0.219 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001486288024 918411130 /nfs/dbraw/zinc/41/11/30/918411130.db2.gz JYWBBMVBBHVUGM-JTQLQIEISA-N 1 0 276.340 -0.446 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001486285156 918412327 /nfs/dbraw/zinc/41/23/27/918412327.db2.gz FGWCDHHOFKHMSI-GHMZBOCLSA-N 1 0 290.385 -0.984 20 30 CBEDRO C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001486297599 918414533 /nfs/dbraw/zinc/41/45/33/918414533.db2.gz UYCWZERXBPHGSF-QWRGUYRKSA-N 1 0 285.388 -0.258 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001486298966 918415936 /nfs/dbraw/zinc/41/59/36/918415936.db2.gz AXUOUJWCVPUBJJ-SECBINFHSA-N 1 0 268.292 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C)CCCOC1 ZINC001486307438 918419454 /nfs/dbraw/zinc/41/94/54/918419454.db2.gz QSPIIFVTQNCQGN-OCCSQVGLSA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cccnc1C ZINC001486310995 918419777 /nfs/dbraw/zinc/41/97/77/918419777.db2.gz OLRIRXILCLCRNC-AWEZNQCLSA-N 1 0 275.352 -0.025 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c(C)noc1C ZINC001486316171 918423784 /nfs/dbraw/zinc/42/37/84/918423784.db2.gz VLMCRCOECOCCMQ-LBPRGKRZSA-N 1 0 279.340 -0.124 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001486312191 918423955 /nfs/dbraw/zinc/42/39/55/918423955.db2.gz SJGVVVWYWOJPCN-LBPRGKRZSA-N 1 0 291.351 -0.569 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CNC(=O)C(C)(C)C ZINC001486318894 918424100 /nfs/dbraw/zinc/42/41/00/918424100.db2.gz ZGHWMFPXPUZUAD-GFCCVEGCSA-N 1 0 297.399 -0.419 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001486313039 918424157 /nfs/dbraw/zinc/42/41/57/918424157.db2.gz KJGPCEYSBCPYDV-NWDGAFQWSA-N 1 0 281.356 -0.961 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001486328807 918431179 /nfs/dbraw/zinc/43/11/79/918431179.db2.gz OGYLNOXVMVNIFU-KGLIPLIRSA-N 1 0 298.383 -0.576 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001486328806 918431221 /nfs/dbraw/zinc/43/12/21/918431221.db2.gz OGYLNOXVMVNIFU-KBPBESRZSA-N 1 0 298.383 -0.576 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001486326038 918431689 /nfs/dbraw/zinc/43/16/89/918431689.db2.gz QZFPVOQMDKKTAG-LLVKDONJSA-N 1 0 270.329 -0.188 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001486323997 918432215 /nfs/dbraw/zinc/43/22/15/918432215.db2.gz GKXXJYOPBDFGGY-NSHDSACASA-N 1 0 282.348 -1.000 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001486324013 918432487 /nfs/dbraw/zinc/43/24/87/918432487.db2.gz GOQLFWJQFQZQOH-ZDUSSCGKSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)CC ZINC001486329370 918435148 /nfs/dbraw/zinc/43/51/48/918435148.db2.gz XZAJPADQBRRBAQ-GFCCVEGCSA-N 1 0 283.372 -0.713 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CNC(=O)CC ZINC001486329426 918435418 /nfs/dbraw/zinc/43/54/18/918435418.db2.gz ZHNBWOWOXFVUGU-LLVKDONJSA-N 1 0 271.361 -0.550 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001486329769 918435587 /nfs/dbraw/zinc/43/55/87/918435587.db2.gz BRCVCJRJWIOLIG-STQMWFEESA-N 1 0 296.367 -0.286 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)C[N@H+](C)CC#C ZINC001486335091 918440462 /nfs/dbraw/zinc/44/04/62/918440462.db2.gz NQLOINMNGYDZPS-QWHCGFSZSA-N 1 0 266.341 -0.591 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001486348168 918442155 /nfs/dbraw/zinc/44/21/55/918442155.db2.gz AYRSTQDLQAVQQK-SWLSCSKDSA-N 1 0 297.399 -0.160 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001486346708 918443544 /nfs/dbraw/zinc/44/35/44/918443544.db2.gz JCWLYXDFRAFWEV-LLVKDONJSA-N 1 0 294.355 -0.289 20 30 CBEDRO C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486347156 918443869 /nfs/dbraw/zinc/44/38/69/918443869.db2.gz LUGGXMMZENWOFL-JTQLQIEISA-N 1 0 257.334 -0.811 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001486348169 918445329 /nfs/dbraw/zinc/44/53/29/918445329.db2.gz AYRSTQDLQAVQQK-WFASDCNBSA-N 1 0 297.399 -0.160 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cnccn1 ZINC001486353017 918448296 /nfs/dbraw/zinc/44/82/96/918448296.db2.gz RVMQEBAJVCEKHW-CQSZACIVSA-N 1 0 290.367 -0.207 20 30 CBEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001486355300 918450371 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C#CCNC(=[NH+]C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261821014 220245548 /nfs/dbraw/zinc/24/55/48/220245548.db2.gz UNRDJCHOVHLHPS-AWEZNQCLSA-N 1 0 291.355 -0.495 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261864538 220245586 /nfs/dbraw/zinc/24/55/86/220245586.db2.gz ZSVBTHZNQCZFJS-NSHDSACASA-N 1 0 293.375 -0.559 20 30 CBEDRO CCCNC(=[NH2+])NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000261947932 220245604 /nfs/dbraw/zinc/24/56/04/220245604.db2.gz OYCNPPHTUOMZRZ-SECBINFHSA-N 1 0 278.360 -0.141 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261879695 220245689 /nfs/dbraw/zinc/24/56/89/220245689.db2.gz ULPXIVWYONLVEC-SNVBAGLBSA-N 1 0 260.363 -0.253 20 30 CBEDRO CC[NH+]=C(NCCO)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261948307 220246216 /nfs/dbraw/zinc/24/62/16/220246216.db2.gz GOTXXYSTDQDCFV-UHFFFAOYSA-N 1 0 277.390 -0.547 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000261993585 220246248 /nfs/dbraw/zinc/24/62/48/220246248.db2.gz RVRCWKBKPAGORK-LBPRGKRZSA-N 1 0 254.334 -0.580 20 30 CBEDRO CCC(=O)N1CC[C@H](NC(NCCn2cncn2)=[NH+]C)C1 ZINC000262014503 220247640 /nfs/dbraw/zinc/24/76/40/220247640.db2.gz XLZHTOJWVJSEHG-NSHDSACASA-N 1 0 293.375 -0.546 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CC1)N1CCO[C@H](COC)C1 ZINC000262034358 220247690 /nfs/dbraw/zinc/24/76/90/220247690.db2.gz XNXOXSTUAUGHFX-NSHDSACASA-N 1 0 284.360 -0.812 20 30 CBEDRO [NH2+]=C(NCCN1CCCS1(=O)=O)NCC1CCC1 ZINC000262008940 220248006 /nfs/dbraw/zinc/24/80/06/220248006.db2.gz SPDGXPJQGJHTQZ-UHFFFAOYSA-N 1 0 274.390 -0.274 20 30 CBEDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000262061919 220248091 /nfs/dbraw/zinc/24/80/91/220248091.db2.gz RGRVDTZQDCFCQQ-SNVBAGLBSA-N 1 0 260.363 -0.240 20 30 CBEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CCO[C@H](COC)C1 ZINC000262039320 220248434 /nfs/dbraw/zinc/24/84/34/220248434.db2.gz YCGFFEVJFSZZKW-NSHDSACASA-N 1 0 296.375 -0.454 20 30 CBEDRO COC[C@@]1(CNS(=O)(=O)N(C)CCC#N)CCC[NH2+]1 ZINC000262274468 220249310 /nfs/dbraw/zinc/24/93/10/220249310.db2.gz 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257.334 -0.582 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)n(C)n1 ZINC001124298736 813431709 /nfs/dbraw/zinc/43/17/09/813431709.db2.gz WFGJGZUBNRFIEW-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)n(C)n1 ZINC001124305429 813432057 /nfs/dbraw/zinc/43/20/57/813432057.db2.gz MFOXEOUMVLOIBR-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)CN(C)S(C)(=O)=O ZINC001128608907 813784705 /nfs/dbraw/zinc/78/47/05/813784705.db2.gz FVLMLGKJXDPMOF-UHFFFAOYSA-N 1 0 283.781 -0.664 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CCNC(=O)c1ccncc1 ZINC001128633087 813786977 /nfs/dbraw/zinc/78/69/77/813786977.db2.gz LXDUTZLBGYOYRS-UHFFFAOYSA-N 1 0 288.351 -0.069 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(CC#C)CCC1 ZINC001129121527 813820013 /nfs/dbraw/zinc/82/00/13/813820013.db2.gz YSWFXKFLLKDYCQ-UHFFFAOYSA-N 1 0 275.352 -0.365 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)CCOCC1 ZINC001129121342 813820133 /nfs/dbraw/zinc/82/01/33/813820133.db2.gz 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/nfs/dbraw/zinc/93/74/96/814937496.db2.gz VKXSSMRWANEYBH-UHFFFAOYSA-N 1 0 290.323 -0.841 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC(OC)C1 ZINC001130031706 813898635 /nfs/dbraw/zinc/89/86/35/813898635.db2.gz TZTPLTDQFQLPRA-UNXYVOJBSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001134817313 814414225 /nfs/dbraw/zinc/41/42/25/814414225.db2.gz UBPRWZHLDSRVIY-VXGBXAGGSA-N 1 0 298.387 -0.573 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)OC ZINC001133458288 814255776 /nfs/dbraw/zinc/25/57/76/814255776.db2.gz RQLVXUBCVPTTFI-STQMWFEESA-N 1 0 297.399 -0.109 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)OC ZINC001133458282 814255839 /nfs/dbraw/zinc/25/58/39/814255839.db2.gz RQLVXUBCVPTTFI-CHWSQXEVSA-N 1 0 297.399 -0.109 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001134817233 814414319 /nfs/dbraw/zinc/41/43/19/814414319.db2.gz RLIHKPBOYSNMCM-JQWIXIFHSA-N 1 0 298.387 -0.702 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133512254 814266131 /nfs/dbraw/zinc/26/61/31/814266131.db2.gz AMPXTYPEVIVOJF-MNOVXSKESA-N 1 0 287.360 -0.956 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)c1 ZINC001133592991 814274697 /nfs/dbraw/zinc/27/46/97/814274697.db2.gz JDZCSDOLIREQLX-CYBMUJFWSA-N 1 0 286.335 -0.339 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]CC(=O)NCCC)c1 ZINC001133593120 814275126 /nfs/dbraw/zinc/27/51/26/814275126.db2.gz OZYZIWXBSRIVMS-UHFFFAOYSA-N 1 0 288.351 -0.092 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+]C[C@H](O)COC)c1 ZINC001133593194 814275948 /nfs/dbraw/zinc/27/59/48/814275948.db2.gz SKYQOGSCUHWGPS-ZDUSSCGKSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC ZINC001133595918 814276007 /nfs/dbraw/zinc/27/60/07/814276007.db2.gz UCLPGKFOOUSREQ-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133835127 814304676 /nfs/dbraw/zinc/30/46/76/814304676.db2.gz GQFYZEVSJXWKQZ-ZJUUUORDSA-N 1 0 260.359 -0.463 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133989206 814332678 /nfs/dbraw/zinc/33/26/78/814332678.db2.gz MCVQQJSFWHWODZ-UHFFFAOYSA-N 1 0 279.344 -0.352 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)Cn1nnc2c1CCCC2 ZINC001133980885 814333716 /nfs/dbraw/zinc/33/37/16/814333716.db2.gz FHOSVUZBKYVRJF-UHFFFAOYSA-N 1 0 275.356 -0.114 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC12CCC2 ZINC001134445381 814385591 /nfs/dbraw/zinc/38/55/91/814385591.db2.gz XIMQZEAGFDWTHS-SNVBAGLBSA-N 1 0 264.329 -0.478 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C1CCS(=O)(=O)CC1 ZINC001134651359 814402455 /nfs/dbraw/zinc/40/24/55/814402455.db2.gz KTQWNNMFGZYKPT-UHFFFAOYSA-N 1 0 272.370 -0.460 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001143316284 814769580 /nfs/dbraw/zinc/76/95/80/814769580.db2.gz CZAUVPQNTJFQRG-SNVBAGLBSA-N 1 0 253.302 -0.100 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CCNC(N)=O)CC1 ZINC001144003587 814771933 /nfs/dbraw/zinc/77/19/33/814771933.db2.gz KPOGMTAORVQHBI-UHFFFAOYSA-N 1 0 253.306 -0.851 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)CC ZINC001146184298 814779383 /nfs/dbraw/zinc/77/93/83/814779383.db2.gz ZEBYFPKRNSLAEO-UHFFFAOYSA-N 1 0 291.417 -0.060 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC=C)nc1 ZINC001148365088 814940803 /nfs/dbraw/zinc/94/08/03/814940803.db2.gz GQYZDLDHKXTSII-UHFFFAOYSA-N 1 0 286.335 -0.316 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C#C)nc1 ZINC001148383229 814940876 /nfs/dbraw/zinc/94/08/76/814940876.db2.gz ZDDDKSPPQKPPHG-UHFFFAOYSA-N 1 0 284.319 -0.868 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H]2CCNC2=O)cn1 ZINC001148383035 814940885 /nfs/dbraw/zinc/94/08/85/814940885.db2.gz OXGWENAIFHNQPH-LBPRGKRZSA-N 1 0 272.308 -0.729 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)C(N)=O)nc1 ZINC001148370429 814940966 /nfs/dbraw/zinc/94/09/66/814940966.db2.gz XELJFYBATNIVND-SECBINFHSA-N 1 0 260.297 -0.744 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)N(C)CC)nc1 ZINC001148370216 814941157 /nfs/dbraw/zinc/94/11/57/814941157.db2.gz NPENWORRPHIAGS-UHFFFAOYSA-N 1 0 288.351 -0.139 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COC)cn1 ZINC001148382880 814941506 /nfs/dbraw/zinc/94/15/06/814941506.db2.gz IOLJQJVFGSORIW-ZDUSSCGKSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)nc1 ZINC001148370419 814941910 /nfs/dbraw/zinc/94/19/10/814941910.db2.gz WVPMZVUDEIYJJY-GFCCVEGCSA-N 1 0 286.335 -0.339 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148436991 814946094 /nfs/dbraw/zinc/94/60/94/814946094.db2.gz GBPDKGJGLJPWIW-ZDUSSCGKSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148466394 814946247 /nfs/dbraw/zinc/94/62/47/814946247.db2.gz YMSLQMPURBCOJB-GFCCVEGCSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001148484707 814947405 /nfs/dbraw/zinc/94/74/05/814947405.db2.gz HKBHBENGRXWENS-GFCCVEGCSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148557392 814949527 /nfs/dbraw/zinc/94/95/27/814949527.db2.gz KXLSRRIXDPRVPW-UHFFFAOYSA-N 1 0 262.313 -0.719 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)NC(=O)NC)C2)C1 ZINC001148827325 814958596 /nfs/dbraw/zinc/95/85/96/814958596.db2.gz AEJBULIYLFVACJ-UHFFFAOYSA-N 1 0 292.383 -0.139 20 30 CBEDRO C#CCC[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)CC)C2)C1 ZINC001148834002 814958794 /nfs/dbraw/zinc/95/87/94/814958794.db2.gz QKQQUSCPAMVFFC-UHFFFAOYSA-N 1 0 298.408 -0.021 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(N)=O)C2 ZINC001148880766 814960172 /nfs/dbraw/zinc/96/01/72/814960172.db2.gz IFMYAEYSKWGWMI-NWDGAFQWSA-N 1 0 295.383 -0.014 20 30 CBEDRO COCC#CCN1CCCO[C@@H](CNC(C)=O)C1 ZINC001148960415 814961146 /nfs/dbraw/zinc/96/11/46/814961146.db2.gz HNUJERHQXMVLON-ZDUSSCGKSA-N 1 0 254.330 -0.137 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001321500882 803775199 /nfs/dbraw/zinc/77/51/99/803775199.db2.gz KKFJXTBXWMISMM-NEPJUHHUSA-N 1 0 293.367 -0.435 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321520548 803779551 /nfs/dbraw/zinc/77/95/51/803779551.db2.gz NCAYXCUIHBBFFD-NWDGAFQWSA-N 1 0 283.372 -0.286 20 30 CBEDRO COc1cccnc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149020204 814964886 /nfs/dbraw/zinc/96/48/86/814964886.db2.gz RYYFQUIVHSZUBN-UHFFFAOYSA-N 1 0 291.311 -0.951 20 30 CBEDRO CCN1C[C@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)CC1=O ZINC001321533247 803782268 /nfs/dbraw/zinc/78/22/68/803782268.db2.gz TXVADVSQYUYYMF-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001321551449 803783494 /nfs/dbraw/zinc/78/34/94/803783494.db2.gz JCZTVHMTYGMDLG-MNOVXSKESA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001321563281 803785277 /nfs/dbraw/zinc/78/52/77/803785277.db2.gz KGJUWPRFHQIENE-LLVKDONJSA-N 1 0 288.351 -0.159 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001321597805 803788311 /nfs/dbraw/zinc/78/83/11/803788311.db2.gz HOAPGINZEUKTRJ-NEPJUHHUSA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001321616486 803791404 /nfs/dbraw/zinc/79/14/04/803791404.db2.gz BKPIOXULNXAWGL-QCNOEVLYSA-N 1 0 265.357 -0.125 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001321616816 803791453 /nfs/dbraw/zinc/79/14/53/803791453.db2.gz HEEDNSOCKMGOHL-ZJUUUORDSA-N 1 0 252.318 -0.872 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001321616487 803791633 /nfs/dbraw/zinc/79/16/33/803791633.db2.gz BKPIOXULNXAWGL-USZNOCQGSA-N 1 0 265.357 -0.125 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001321644792 803795258 /nfs/dbraw/zinc/79/52/58/803795258.db2.gz DMBQPKLYGZAIHK-KXUCPTDWSA-N 1 0 255.318 -0.700 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001321740431 803808232 /nfs/dbraw/zinc/80/82/32/803808232.db2.gz WUWNARKUABCWLY-SNVBAGLBSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001321780789 803812968 /nfs/dbraw/zinc/81/29/68/803812968.db2.gz ZBAXVCXZFRMXJX-NSHDSACASA-N 1 0 289.339 -0.758 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnn(C)c1C ZINC001321789411 803815219 /nfs/dbraw/zinc/81/52/19/803815219.db2.gz LXYHLRJUXQHPSW-JTQLQIEISA-N 1 0 293.371 -0.261 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CSCC#N ZINC001321790398 803815321 /nfs/dbraw/zinc/81/53/21/803815321.db2.gz QHFVAGUYWOJVPQ-VIFPVBQESA-N 1 0 272.374 -0.574 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001321800302 803816140 /nfs/dbraw/zinc/81/61/40/803816140.db2.gz BADNEAAVJIMVJO-LBPRGKRZSA-N 1 0 254.330 -0.067 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccnc(F)c1 ZINC001321801380 803816731 /nfs/dbraw/zinc/81/67/31/803816731.db2.gz RWYCHXXKVKDSLL-VIFPVBQESA-N 1 0 293.302 -0.432 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccon1 ZINC001321800102 803816822 /nfs/dbraw/zinc/81/68/22/803816822.db2.gz LNCLYYLLHIPNPD-VHSXEESVSA-N 1 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COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(N)=O)cc1C#N ZINC001321968635 803847323 /nfs/dbraw/zinc/84/73/23/803847323.db2.gz MFRIPHRNLBZFTI-VIFPVBQESA-N 1 0 290.323 -0.354 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)nn1 ZINC001322013963 803850375 /nfs/dbraw/zinc/85/03/75/803850375.db2.gz UOWXJIBPYIRRMG-UWVGGRQHSA-N 1 0 294.359 -0.564 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)C1CCS(=O)(=O)CC1 ZINC001322003806 803851220 /nfs/dbraw/zinc/85/12/20/803851220.db2.gz CMJUWPKCXQBOOE-NSHDSACASA-N 1 0 286.397 -0.071 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001322098940 803858601 /nfs/dbraw/zinc/85/86/01/803858601.db2.gz LDKZBSRQOJANCO-VHSXEESVSA-N 1 0 267.329 -0.290 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)CNC(=O)NCc1ccco1 ZINC001322089398 803858958 /nfs/dbraw/zinc/85/89/58/803858958.db2.gz RFZSCVJBUWMZJH-NSHDSACASA-N 1 0 292.339 -0.194 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001322111243 803859817 /nfs/dbraw/zinc/85/98/17/803859817.db2.gz RHZNNBUXXUVKDD-JTQLQIEISA-N 1 0 252.322 -0.314 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001322115784 803860659 /nfs/dbraw/zinc/86/06/59/803860659.db2.gz BKVMPSLLLXXRPS-RYUDHWBXSA-N 1 0 254.330 -0.138 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCOCCO ZINC001322130792 803863003 /nfs/dbraw/zinc/86/30/03/803863003.db2.gz SERWYHZBYGKASV-MNOVXSKESA-N 1 0 257.334 -0.409 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCn1cncn1 ZINC001322129207 803863041 /nfs/dbraw/zinc/86/30/41/803863041.db2.gz GYXJMVDNKBNHJX-MNOVXSKESA-N 1 0 264.333 -0.126 20 30 CBEDRO C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)[C@@H](C)C#N ZINC001322129209 803863663 /nfs/dbraw/zinc/86/36/63/803863663.db2.gz GYXJMVDNKBNHJX-WDEREUQCSA-N 1 0 264.333 -0.126 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001322136267 803864993 /nfs/dbraw/zinc/86/49/93/803864993.db2.gz RUQUOOXWUQMTFD-STQMWFEESA-N 1 0 267.373 -0.223 20 30 CBEDRO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149137007 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C=CCNC(=O)C[NH2+]C[C@H](NC(=O)c1ccn[nH]1)C1CC1 ZINC001322960177 803958495 /nfs/dbraw/zinc/95/84/95/803958495.db2.gz RGQABMYFQGWMMK-LBPRGKRZSA-N 1 0 291.355 -0.190 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](C)C#N)C1CC1 ZINC001322968938 803960266 /nfs/dbraw/zinc/96/02/66/803960266.db2.gz HMVBJUIQAUASHU-WPRPVWTQSA-N 1 0 252.318 -0.624 20 30 CBEDRO COCC#CC[NH2+]C[C@H](NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001322985910 803963385 /nfs/dbraw/zinc/96/33/85/803963385.db2.gz KFLAVHOHLWYCQK-JQWIXIFHSA-N 1 0 296.371 -0.823 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001322993843 803964520 /nfs/dbraw/zinc/96/45/20/803964520.db2.gz ZWNIYEUJCNCGML-LLVKDONJSA-N 1 0 294.355 -0.675 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001322993846 803964791 /nfs/dbraw/zinc/96/47/91/803964791.db2.gz ZWNIYEUJCNCGML-NSHDSACASA-N 1 0 294.355 -0.675 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001323026064 803969063 /nfs/dbraw/zinc/96/90/63/803969063.db2.gz 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MWUPNQMXRPQWJE-LPWJVIDDSA-N 1 0 266.341 -0.262 20 30 CBEDRO CC1(C#N)CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001157693763 815454400 /nfs/dbraw/zinc/45/44/00/815454400.db2.gz DIUJSLYKZKVMNO-VIFPVBQESA-N 1 0 250.302 -0.692 20 30 CBEDRO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(C)S(C)(=O)=O)C2 ZINC001110618961 811530082 /nfs/dbraw/zinc/53/00/82/811530082.db2.gz KDJSOVVTCKJCAF-UTUOFQBUSA-N 1 0 299.396 -0.768 20 30 CBEDRO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CNC(N)=O)C1 ZINC001111585150 811553690 /nfs/dbraw/zinc/55/36/90/811553690.db2.gz HSLFDVZTOIQOSB-GWCFXTLKSA-N 1 0 266.345 -0.189 20 30 CBEDRO C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001111720013 811557153 /nfs/dbraw/zinc/55/71/53/811557153.db2.gz CAHNDYUCZYRWLT-MJVIPROJSA-N 1 0 278.356 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111717865 811557486 /nfs/dbraw/zinc/55/74/86/811557486.db2.gz IGKTXAJNPBSXGR-WFASDCNBSA-N 1 0 293.367 -0.911 20 30 CBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C(F)(F)F ZINC001112073425 811561735 /nfs/dbraw/zinc/56/17/35/811561735.db2.gz QFAGETAQVOTIFX-RKDXNWHRSA-N 1 0 291.273 -0.136 20 30 CBEDRO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCNC1=O)C2 ZINC001112508412 811564430 /nfs/dbraw/zinc/56/44/30/811564430.db2.gz DYJYMXDNFRIZKQ-XEZPLFJOSA-N 1 0 289.379 -0.026 20 30 CBEDRO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 ZINC001112520249 811565368 /nfs/dbraw/zinc/56/53/68/811565368.db2.gz VWHNBGIFRKIOMC-FZMZJTMJSA-N 1 0 263.341 -0.287 20 30 CBEDRO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCNC(N)=O)C2 ZINC001112575883 811565927 /nfs/dbraw/zinc/56/59/27/811565927.db2.gz IUQKTAHOGUHHNZ-WFASDCNBSA-N 1 0 292.383 -0.104 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[NH+](CCCCOC)CC1 ZINC001112779029 811596136 /nfs/dbraw/zinc/59/61/36/811596136.db2.gz CIQYHISJXVPMIO-UHFFFAOYSA-N 1 0 295.383 -0.303 20 30 CBEDRO C=CCC[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1 ZINC001112915530 811610139 /nfs/dbraw/zinc/61/01/39/811610139.db2.gz ZBCHHTFHZRWIBW-UHFFFAOYSA-N 1 0 289.401 -0.402 20 30 CBEDRO C=CCNC(=O)[C@@H](C)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113301850 811630575 /nfs/dbraw/zinc/63/05/75/811630575.db2.gz XSHSIHWVBMWVGU-CYBMUJFWSA-N 1 0 296.415 -0.227 20 30 CBEDRO COCC#CCN1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113345947 811632330 /nfs/dbraw/zinc/63/23/30/811632330.db2.gz KOALJZAZJONWRK-GJZGRUSLSA-N 1 0 293.411 -0.022 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC001113774652 811670353 /nfs/dbraw/zinc/67/03/53/811670353.db2.gz HFGLYVTUDMXVPA-UKKRHICBSA-N 1 0 299.321 -0.174 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(C)nn1 ZINC001157746078 815461834 /nfs/dbraw/zinc/46/18/34/815461834.db2.gz PRNPUQVDNOYEFO-UHFFFAOYSA-N 1 0 291.355 -0.203 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC ZINC001113836782 811680287 /nfs/dbraw/zinc/68/02/87/811680287.db2.gz STVGHLVKQSVEAF-DCQANWLSSA-N 1 0 295.408 -0.466 20 30 CBEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC001113838323 811680450 /nfs/dbraw/zinc/68/04/50/811680450.db2.gz AOCSLQFTQVORPS-WDNDVIMCSA-N 1 0 288.351 -0.270 20 30 CBEDRO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSCC#N ZINC001113899180 811689294 /nfs/dbraw/zinc/68/92/94/811689294.db2.gz JFEVIYPHSAMGAT-KLBPJQLPSA-N 1 0 296.396 -0.447 20 30 CBEDRO CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSCC#N ZINC001113890720 811689528 /nfs/dbraw/zinc/68/95/28/811689528.db2.gz FVDPWDPKVVGOKS-IWIIMEHWSA-N 1 0 296.396 -0.622 20 30 CBEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001113913585 811692129 /nfs/dbraw/zinc/69/21/29/811692129.db2.gz PDSHSHVBEMPEIW-ITGUQSILSA-N 1 0 274.324 -0.281 20 30 CBEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnns1 ZINC001113925669 811693059 /nfs/dbraw/zinc/69/30/59/811693059.db2.gz QQECWBSNUDYHPS-IAZYJMLFSA-N 1 0 292.364 -0.152 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)OC ZINC001113944438 811695469 /nfs/dbraw/zinc/69/54/69/811695469.db2.gz CHPAABRBPBUUPE-IAZYJMLFSA-N 1 0 265.313 -0.588 20 30 CBEDRO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114047404 811712570 /nfs/dbraw/zinc/71/25/70/811712570.db2.gz FMMUXISKVFWIQR-YABSGUDNSA-N 1 0 281.356 -0.676 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001114067032 811714750 /nfs/dbraw/zinc/71/47/50/811714750.db2.gz LUNFKVVJJNYEFL-WYUUTHIRSA-N 1 0 291.355 -0.782 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)CC1(COC)CC1 ZINC001157815187 815469980 /nfs/dbraw/zinc/46/99/80/815469980.db2.gz VBYJENDYDMUUOO-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(=O)NC ZINC001114172684 811726769 /nfs/dbraw/zinc/72/67/69/811726769.db2.gz ZWIBUBOWIXJOPC-JYAVWHMHSA-N 1 0 277.368 -0.028 20 30 CBEDRO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114199416 811730718 /nfs/dbraw/zinc/73/07/18/811730718.db2.gz UFQHTARUGRNBAU-NHAGDIPZSA-N 1 0 280.368 -0.155 20 30 CBEDRO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]21 ZINC001114199026 811731147 /nfs/dbraw/zinc/73/11/47/811731147.db2.gz MTIJVFSOMJVZOG-NMKXLXIOSA-N 1 0 277.368 -0.029 20 30 CBEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)NC ZINC001114226549 811735240 /nfs/dbraw/zinc/73/52/40/811735240.db2.gz OTRZJDJEHRSPKD-PJXYFTJBSA-N 1 0 278.356 -0.625 20 30 CBEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114263865 811738220 /nfs/dbraw/zinc/73/82/20/811738220.db2.gz ZXFYIXYZRDFDLT-IMRBUKKESA-N 1 0 266.341 -0.545 20 30 CBEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114266690 811738489 /nfs/dbraw/zinc/73/84/89/811738489.db2.gz VBUNFSYAOFFPNZ-JYAVWHMHSA-N 1 0 293.367 -0.839 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC001114308385 811741698 /nfs/dbraw/zinc/74/16/98/811741698.db2.gz GFEACTLQMHTPPI-NDBYEHHHSA-N 1 0 289.379 -0.029 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC ZINC001114316670 811741974 /nfs/dbraw/zinc/74/19/74/811741974.db2.gz KJODXFOLNSLDBX-CIQGVGRVSA-N 1 0 277.368 -0.029 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(C)C ZINC001114362058 811744315 /nfs/dbraw/zinc/74/43/15/811744315.db2.gz YYRVZQIJLFTBRX-IMRBUKKESA-N 1 0 277.368 -0.220 20 30 CBEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCNC(=O)COC ZINC001114368474 811744974 /nfs/dbraw/zinc/74/49/74/811744974.db2.gz MPJQALGGELUAHG-JYAVWHMHSA-N 1 0 293.367 -0.791 20 30 CBEDRO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)NC ZINC001114376225 811745014 /nfs/dbraw/zinc/74/50/14/811745014.db2.gz INULZHLUPAVQEG-PJXYFTJBSA-N 1 0 296.371 -0.836 20 30 CBEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C1CC1 ZINC001114366489 811745132 /nfs/dbraw/zinc/74/51/32/811745132.db2.gz STJZIFZOQHZSPT-NHAGDIPZSA-N 1 0 289.379 -0.076 20 30 CBEDRO C#CCOCCC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001157846521 815471864 /nfs/dbraw/zinc/47/18/64/815471864.db2.gz SFZSITHDGIHGGS-UHFFFAOYSA-N 1 0 279.344 -0.549 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(CC)CCNC1=O ZINC001114424346 811747846 /nfs/dbraw/zinc/74/78/46/811747846.db2.gz XKMBTKDCQMQOHA-OXJKWZBOSA-N 1 0 275.352 -0.418 20 30 CBEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCc1nccn1C ZINC001114445599 811749993 /nfs/dbraw/zinc/74/99/93/811749993.db2.gz UAKOSMQTAPSFDT-JYAVWHMHSA-N 1 0 288.351 -0.384 20 30 CBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O ZINC001114674491 811760674 /nfs/dbraw/zinc/76/06/74/811760674.db2.gz JZGYSYZNMJAKFE-SVDPJWKOSA-N 1 0 251.330 -0.270 20 30 CBEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O ZINC001114674492 811761202 /nfs/dbraw/zinc/76/12/02/811761202.db2.gz JZGYSYZNMJAKFE-UXCLJVHYSA-N 1 0 251.330 -0.270 20 30 CBEDRO C#CCOCCC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001157859236 815474982 /nfs/dbraw/zinc/47/49/82/815474982.db2.gz DEODDOFNFCLGAA-UHFFFAOYSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001157869078 815475444 /nfs/dbraw/zinc/47/54/44/815475444.db2.gz FPSHAABVUYHSIQ-NSHDSACASA-N 1 0 279.344 -0.551 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1cnon1 ZINC001157874065 815475614 /nfs/dbraw/zinc/47/56/14/815475614.db2.gz IJBKRQQFQGAQMB-JTQLQIEISA-N 1 0 266.301 -0.296 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001157869441 815475668 /nfs/dbraw/zinc/47/56/68/815475668.db2.gz MDIOFCFLAPPTNL-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001157869405 815475711 /nfs/dbraw/zinc/47/57/11/815475711.db2.gz LFQMMFBPWJIOSC-GFCCVEGCSA-N 1 0 283.372 -0.401 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001157874596 815475789 /nfs/dbraw/zinc/47/57/89/815475789.db2.gz UTMGGJHLTYMTIO-GFCCVEGCSA-N 1 0 296.371 -0.854 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001157869383 815475849 /nfs/dbraw/zinc/47/58/49/815475849.db2.gz KXEGGPSTHITLKC-WDEREUQCSA-N 1 0 294.359 -0.595 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001157869038 815475889 /nfs/dbraw/zinc/47/58/89/815475889.db2.gz DTQIONPQVJYRCX-NSHDSACASA-N 1 0 279.344 -0.551 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877526 815476549 /nfs/dbraw/zinc/47/65/49/815476549.db2.gz HCLKUEUNWZRVIG-WEDXCCLWSA-N 1 0 264.247 -0.034 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001157879309 815476785 /nfs/dbraw/zinc/47/67/85/815476785.db2.gz AGZKOAPSQXFZJL-GHMZBOCLSA-N 1 0 269.345 -0.616 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1cn(CC)nn1 ZINC001157879559 815477012 /nfs/dbraw/zinc/47/70/12/815477012.db2.gz DUTHHBHQSNYSPP-LBPRGKRZSA-N 1 0 293.371 -0.068 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CO[C@@H]1CCOC1 ZINC001157923777 815482984 /nfs/dbraw/zinc/48/29/84/815482984.db2.gz AXTMYARQHZAHGW-GFCCVEGCSA-N 1 0 299.371 -0.810 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157947071 815491064 /nfs/dbraw/zinc/49/10/64/815491064.db2.gz YWLAECOPHMTRKQ-NSHDSACASA-N 1 0 286.376 -0.268 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)Cn1cccc(C)c1=O ZINC001157973214 815493602 /nfs/dbraw/zinc/49/36/02/815493602.db2.gz YFCBJQKWLFNAAL-UHFFFAOYSA-N 1 0 261.325 -0.114 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)C[C@H](C)NC(N)=O ZINC001157939872 815490153 /nfs/dbraw/zinc/49/01/53/815490153.db2.gz VXHQOSYLEHVGDY-NSHDSACASA-N 1 0 284.360 -0.821 20 30 CBEDRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157982089 815494847 /nfs/dbraw/zinc/49/48/47/815494847.db2.gz IXJVGBWSWLAGPF-UWVGGRQHSA-N 1 0 254.334 -0.547 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cnc(N(C)C)cn1 ZINC001158055403 815500388 /nfs/dbraw/zinc/50/03/88/815500388.db2.gz MNSCRTYNBCOXBW-UHFFFAOYSA-N 1 0 261.329 -0.115 20 30 CBEDRO N#C[C@H]1CNCCN1C(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001157982018 815494641 /nfs/dbraw/zinc/49/46/41/815494641.db2.gz HKIZTQNJYMRWRC-WCQYABFASA-N 1 0 274.324 -0.414 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)Cn2ncnn2)cc1 ZINC001158163441 815508385 /nfs/dbraw/zinc/50/83/85/815508385.db2.gz 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/nfs/dbraw/zinc/65/24/21/812652421.db2.gz FTQUOXJQHXFEJI-UHFFFAOYSA-N 1 0 275.356 -0.333 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1 ZINC001118894993 812654925 /nfs/dbraw/zinc/65/49/25/812654925.db2.gz COQWEMPANNMTNI-ZDUSSCGKSA-N 1 0 293.367 -0.566 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001118905669 812657334 /nfs/dbraw/zinc/65/73/34/812657334.db2.gz XEMLHAJFORYTSH-LBPRGKRZSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001118923755 812664315 /nfs/dbraw/zinc/66/43/15/812664315.db2.gz BVGHRLHQPBBCRU-CYBMUJFWSA-N 1 0 294.399 -0.568 20 30 CBEDRO C=CCNC(=O)Cn1cc(C[C@H]([NH3+])COC)nn1 ZINC001118977976 812681209 /nfs/dbraw/zinc/68/12/09/812681209.db2.gz CMVVQWMFERCXAU-VIFPVBQESA-N 1 0 253.306 -0.904 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158791936 815546935 /nfs/dbraw/zinc/54/69/35/815546935.db2.gz NPLJMWWEQCSUKN-UHFFFAOYSA-N 1 0 258.343 -0.850 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001158788829 815547015 /nfs/dbraw/zinc/54/70/15/815547015.db2.gz ADWFPAJKEYCJNL-HZMBPMFUSA-N 1 0 291.355 -0.279 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1nncn1C ZINC001119237316 812727950 /nfs/dbraw/zinc/72/79/50/812727950.db2.gz SOEZYXRFSUVBTB-MRVPVSSYSA-N 1 0 257.725 -0.056 20 30 CBEDRO CO[C@H](C[NH2+]CCn1cnc(C#N)n1)[C@H]1CCOC1 ZINC001119245853 812731918 /nfs/dbraw/zinc/73/19/18/812731918.db2.gz VVATYXVIDSVXDS-WDEREUQCSA-N 1 0 265.317 -0.209 20 30 CBEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCNC(=O)C1)C2 ZINC001119298048 812747553 /nfs/dbraw/zinc/74/75/53/812747553.db2.gz ZXVRHADPCDJZIB-RUETXSTFSA-N 1 0 262.313 -0.916 20 30 CBEDRO CS(=O)(=O)[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001119318473 812753760 /nfs/dbraw/zinc/75/37/60/812753760.db2.gz YJDJXLLIKHYPLO-HAQNSBGRSA-N 1 0 284.381 -0.319 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001119349007 812762452 /nfs/dbraw/zinc/76/24/52/812762452.db2.gz JUPNNISDRPGNHG-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(CC#N)CC1 ZINC001119353404 812764349 /nfs/dbraw/zinc/76/43/49/812764349.db2.gz WSATUTZIWPJMIS-JTQLQIEISA-N 1 0 266.345 -0.008 20 30 CBEDRO CN(C)C(=O)NCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001119354667 812764421 /nfs/dbraw/zinc/76/44/21/812764421.db2.gz GGFICYRZFNFCEH-IQLKVPPVSA-N 1 0 293.371 -0.487 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001119356024 812764909 /nfs/dbraw/zinc/76/49/09/812764909.db2.gz BHNROCCOXMYSGY-RYUDHWBXSA-N 1 0 279.340 -0.895 20 30 CBEDRO CC(C)([NH3+])CCNC(=O)C(=O)N1CCC(C#N)CC1 ZINC001119428144 812783234 /nfs/dbraw/zinc/78/32/34/812783234.db2.gz FEJLUPVBOXCZHJ-UHFFFAOYSA-N 1 0 266.345 -0.008 20 30 CBEDRO C#CC[C@@H](CO)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC001119450536 812787014 /nfs/dbraw/zinc/78/70/14/812787014.db2.gz SJISPQRBYLKEOF-LBPRGKRZSA-N 1 0 254.330 -0.402 20 30 CBEDRO N#CCNC(=O)CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119475105 812790204 /nfs/dbraw/zinc/79/02/04/812790204.db2.gz LRUONUHZIKLUFQ-AWEZNQCLSA-N 1 0 293.371 -0.199 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H]1CC[NH3+] ZINC001119546359 812806355 /nfs/dbraw/zinc/80/63/55/812806355.db2.gz YGTTVBCFSDDHQJ-GYSYKLTISA-N 1 0 296.346 -0.106 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)Cc1nc2ncccn2n1 ZINC001119595849 812823745 /nfs/dbraw/zinc/82/37/45/812823745.db2.gz GRNYITZZTWJXOG-UHFFFAOYSA-N 1 0 272.312 -0.652 20 30 CBEDRO CC[C@@H]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)O1 ZINC001159169129 815561083 /nfs/dbraw/zinc/56/10/83/815561083.db2.gz CFTFTJZXACGUMN-NEPJUHHUSA-N 1 0 296.371 -0.320 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)CNS(=O)(=O)CC ZINC001159201036 815561751 /nfs/dbraw/zinc/56/17/51/815561751.db2.gz NUBRVWCLNGFPDN-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001159239901 815564531 /nfs/dbraw/zinc/56/45/31/815564531.db2.gz DOIDSFCXXNONCL-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001120376421 812955708 /nfs/dbraw/zinc/95/57/08/812955708.db2.gz LCJFILMSTGCVBF-NSHDSACASA-N 1 0 296.371 -0.559 20 30 CBEDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001120432611 812964646 /nfs/dbraw/zinc/96/46/46/812964646.db2.gz JEWNTHMNNOAUPI-VHSXEESVSA-N 1 0 252.318 -0.398 20 30 CBEDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001120432609 812964721 /nfs/dbraw/zinc/96/47/21/812964721.db2.gz JEWNTHMNNOAUPI-NXEZZACHSA-N 1 0 252.318 -0.398 20 30 CBEDRO COC[C@](C)(O)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120489657 812973723 /nfs/dbraw/zinc/97/37/23/812973723.db2.gz UZQJLYLQRIVVFZ-VXGBXAGGSA-N 1 0 259.350 -0.820 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001159262502 815566731 /nfs/dbraw/zinc/56/67/31/815566731.db2.gz GGXLDNBHKRFSKO-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001120519981 812981017 /nfs/dbraw/zinc/98/10/17/812981017.db2.gz HFQAYVFFSXOKRX-FZMZJTMJSA-N 1 0 279.340 -0.908 20 30 CBEDRO NC(=O)NC(=O)CC[NH2+]CC#C[C@@H]1CCCCO1 ZINC001120523728 812981997 /nfs/dbraw/zinc/98/19/97/812981997.db2.gz HEWUMMQTXRDVST-JTQLQIEISA-N 1 0 253.302 -0.267 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001159277166 815567460 /nfs/dbraw/zinc/56/74/60/815567460.db2.gz PUGMSPHVRUOWCC-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO CCN1C[C@H](C(=O)NCCC[NH2+]CC#CCOC)CC1=O ZINC001159276006 815567716 /nfs/dbraw/zinc/56/77/16/815567716.db2.gz IUMJYRGUFQZFLH-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CCC[NH2+]C1CC2(CC(NC(=O)CNC(N)=O)C2)C1 ZINC001120606243 812999042 /nfs/dbraw/zinc/99/90/42/812999042.db2.gz NSEOCDKMZLSHPL-UHFFFAOYSA-N 1 0 278.356 -0.305 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC12CC(O)C2 ZINC001120611269 813001103 /nfs/dbraw/zinc/00/11/03/813001103.db2.gz SVPVZUOGHUXHCC-CMOBGSAGSA-N 1 0 253.346 -0.304 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1ncc2c(n1)CC[NH2+]C2 ZINC001159319784 815569289 /nfs/dbraw/zinc/56/92/89/815569289.db2.gz DIRSLQHZXMEHGS-SNVBAGLBSA-N 1 0 261.285 -0.011 20 30 CBEDRO CCOC(=O)[C@@H](C#N)Nc1ncnc2c1CC[NH2+]C2 ZINC001159319681 815569359 /nfs/dbraw/zinc/56/93/59/815569359.db2.gz AIOPTEQTZVPJCQ-SECBINFHSA-N 1 0 261.285 -0.011 20 30 CBEDRO C[C@H](CN(C)C(=O)CC[NH+](C)C)Nc1ccnc(C#N)n1 ZINC001120653821 813006025 /nfs/dbraw/zinc/00/60/25/813006025.db2.gz WPIIPTXESOQVQK-LLVKDONJSA-N 1 0 290.371 -0.019 20 30 CBEDRO C[NH+](C)C1(C(=O)N[C@@H]2CCN(O)C2=O)CCCC1 ZINC001159331891 815569490 /nfs/dbraw/zinc/56/94/90/815569490.db2.gz XIZOVAGOVHBQJA-SECBINFHSA-N 1 0 255.318 -0.033 20 30 CBEDRO N#CCSCC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001120665561 813009443 /nfs/dbraw/zinc/00/94/43/813009443.db2.gz OGPLPJXBZPNLJX-UHFFFAOYSA-N 1 0 296.396 -0.255 20 30 CBEDRO O=C(N[C@H]1CCN(O)C1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001159331444 815569760 /nfs/dbraw/zinc/56/97/60/815569760.db2.gz HXRJDYREBRYRNK-NSHDSACASA-N 1 0 287.279 -0.013 20 30 CBEDRO C[C@@H](CNc1[n-]c(=O)n(C)c(=O)c1C#N)[NH+](C)C ZINC001120797194 813019715 /nfs/dbraw/zinc/01/97/15/813019715.db2.gz CMTZFUYIRLPHSO-ZETCQYMHSA-N 1 0 251.290 -0.693 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001120840460 813021977 /nfs/dbraw/zinc/02/19/77/813021977.db2.gz CVWWWECOLPDNDT-PACJVSNHSA-N 1 0 264.329 -0.352 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CN1CCCS1(=O)=O ZINC001159368253 815571759 /nfs/dbraw/zinc/57/17/59/815571759.db2.gz DOZQEFIRJWIFKF-UHFFFAOYSA-N 1 0 275.374 -0.696 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001159429088 815572632 /nfs/dbraw/zinc/57/26/32/815572632.db2.gz WXDVBXCHHUUHDN-UHFFFAOYSA-N 1 0 258.285 -0.304 20 30 CBEDRO N#Cc1cnc(NCCOCCOCC[NH3+])cn1 ZINC001159445048 815574147 /nfs/dbraw/zinc/57/41/47/815574147.db2.gz SWXLJJQSXHITHS-UHFFFAOYSA-N 1 0 251.290 -0.248 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001121861622 813080012 /nfs/dbraw/zinc/08/00/12/813080012.db2.gz ANZDUNQMTXARLE-NSHDSACASA-N 1 0 289.401 -0.178 20 30 CBEDRO N#C[C@@H](Nc1nc(Cl)nc2c1C[NH2+]CC2)C(N)=O ZINC001159468907 815576070 /nfs/dbraw/zinc/57/60/70/815576070.db2.gz PROHUNCSHVZULF-SSDOTTSWSA-N 1 0 266.692 -0.435 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC001121991196 813101107 /nfs/dbraw/zinc/10/11/07/813101107.db2.gz NFQNSNDBIJAZNX-UHFFFAOYSA-N 1 0 286.335 -0.411 20 30 CBEDRO COc1ncc(/C=C\C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC001122011541 813103968 /nfs/dbraw/zinc/10/39/68/813103968.db2.gz QPYQCVNAKYXYLG-MMJBKMRYSA-N 1 0 273.296 -0.274 20 30 CBEDRO COc1ncc(/C=C/C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC001122011543 813104149 /nfs/dbraw/zinc/10/41/49/813104149.db2.gz QPYQCVNAKYXYLG-ZROCKMJXSA-N 1 0 273.296 -0.274 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 ZINC001122120732 813119804 /nfs/dbraw/zinc/11/98/04/813119804.db2.gz LXQGANNYXDYKTA-GFCCVEGCSA-N 1 0 290.367 -0.620 20 30 CBEDRO N#Cc1cc(C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)co1 ZINC001122189496 813130121 /nfs/dbraw/zinc/13/01/21/813130121.db2.gz HNYCCFNEYJRWCV-GFCCVEGCSA-N 1 0 260.253 -0.240 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)OCC ZINC001122221412 813135001 /nfs/dbraw/zinc/13/50/01/813135001.db2.gz ZHHUEHWVDHUSKD-NWDGAFQWSA-N 1 0 282.340 -0.174 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)COC ZINC001122316655 813144614 /nfs/dbraw/zinc/14/46/14/813144614.db2.gz LVAMEHKANDQWLS-UHFFFAOYSA-N 1 0 270.333 -0.899 20 30 CBEDRO C#CCNCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122442724 813165248 /nfs/dbraw/zinc/16/52/48/813165248.db2.gz UUYFHZHXEBYUDC-STQMWFEESA-N 1 0 265.357 -0.733 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CCC1 ZINC001122477316 813168127 /nfs/dbraw/zinc/16/81/27/813168127.db2.gz UOXSQHAISJWRCQ-SNVBAGLBSA-N 1 0 296.371 -0.107 20 30 CBEDRO C[NH+](C)CCC(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 ZINC001122543959 813174273 /nfs/dbraw/zinc/17/42/73/813174273.db2.gz PVSSILUYUDPBFG-ZDUSSCGKSA-N 1 0 291.355 -0.206 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC ZINC001122627844 813182185 /nfs/dbraw/zinc/18/21/85/813182185.db2.gz CUAWIYPAYXLKIA-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnccn1 ZINC001122832528 813190377 /nfs/dbraw/zinc/19/03/77/813190377.db2.gz AHQDALIYQUVIHX-UHFFFAOYSA-N 1 0 250.302 -0.001 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cccs1 ZINC001122890969 813195247 /nfs/dbraw/zinc/19/52/47/813195247.db2.gz ZAXWXEBEFJQZIY-UHFFFAOYSA-N 1 0 266.326 -0.293 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC ZINC001122985105 813203295 /nfs/dbraw/zinc/20/32/95/813203295.db2.gz YMBSSBPMXRGLPM-SNVBAGLBSA-N 1 0 257.334 -0.581 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1=COCCO1 ZINC001123032924 813206422 /nfs/dbraw/zinc/20/64/22/813206422.db2.gz RGCUFKFERJRVTJ-SNVBAGLBSA-N 1 0 283.328 -0.729 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc[n+]([O-])cc1 ZINC001123041298 813208063 /nfs/dbraw/zinc/20/80/63/813208063.db2.gz UDJATLZOURAWHP-UHFFFAOYSA-N 1 0 263.297 -0.711 20 30 CBEDRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001123104319 813215080 /nfs/dbraw/zinc/21/50/80/813215080.db2.gz LEKHNXKRNVDUFJ-UHFFFAOYSA-N 1 0 264.285 -0.453 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCO2)C1=O ZINC001123117191 813217138 /nfs/dbraw/zinc/21/71/38/813217138.db2.gz CZOFQZYTJTWOKF-VXGBXAGGSA-N 1 0 281.356 -0.342 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCO1 ZINC001123143184 813218019 /nfs/dbraw/zinc/21/80/19/813218019.db2.gz FKKMGXSYZBAGNJ-SNVBAGLBSA-N 1 0 255.318 -0.827 20 30 CBEDRO NC(=O)NCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001123256899 813226060 /nfs/dbraw/zinc/22/60/60/813226060.db2.gz AUFNZDQQNRHCRR-UHFFFAOYSA-N 1 0 274.324 -0.588 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(C)noc1C ZINC001123364082 813235552 /nfs/dbraw/zinc/23/55/52/813235552.db2.gz ZSERWTHSINFRBQ-UHFFFAOYSA-N 1 0 278.312 -0.640 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC(C)=O ZINC001123479757 813242767 /nfs/dbraw/zinc/24/27/67/813242767.db2.gz GZJHVJRHCBYHHY-UHFFFAOYSA-N 1 0 267.329 -0.799 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC(C)=O ZINC001123491602 813242855 /nfs/dbraw/zinc/24/28/55/813242855.db2.gz GKRDDZPELPLVKV-LBPRGKRZSA-N 1 0 281.356 -0.411 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C)n1C ZINC001123501520 813244744 /nfs/dbraw/zinc/24/47/44/813244744.db2.gz MEOOWYXNFGQGDC-GFCCVEGCSA-N 1 0 290.367 -0.209 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cncn1 ZINC001123666789 813259727 /nfs/dbraw/zinc/25/97/27/813259727.db2.gz UBTKBQXZFRADMG-LLVKDONJSA-N 1 0 294.359 -0.935 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(C)n1 ZINC001123732857 813265545 /nfs/dbraw/zinc/26/55/45/813265545.db2.gz NMDRNLGWWJTINA-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO CCCNC(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123792546 813271842 /nfs/dbraw/zinc/27/18/42/813271842.db2.gz YYAXJZKYJHYRTF-UHFFFAOYSA-N 1 0 272.374 -0.525 20 30 CBEDRO CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)CSCC#N ZINC001123786551 813271938 /nfs/dbraw/zinc/27/19/38/813271938.db2.gz BLTKLVNZVTVLFV-UHFFFAOYSA-N 1 0 298.412 -0.183 20 30 CBEDRO CN(C(=O)C[NH2+]CCNC(=O)CSCC#N)C1CC1 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C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1=O ZINC001123898234 813291086 /nfs/dbraw/zinc/29/10/86/813291086.db2.gz XWHNMTZBVIQYKP-NSHDSACASA-N 1 0 277.328 -0.484 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)OCC ZINC001123974306 813302740 /nfs/dbraw/zinc/30/27/40/813302740.db2.gz KRKGGRCNHAMKOH-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)OCC ZINC001123975339 813303648 /nfs/dbraw/zinc/30/36/48/813303648.db2.gz WZWAZCKTTGWQBB-GHMZBOCLSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCOCC(C)C ZINC001123981035 813383863 /nfs/dbraw/zinc/38/38/63/813383863.db2.gz GPLBWPRMLBNRAX-UHFFFAOYSA-N 1 0 283.372 -0.496 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)COCC1CC1 ZINC001124010954 813388525 /nfs/dbraw/zinc/38/85/25/813388525.db2.gz WCDWNJQDNVNYBT-UHFFFAOYSA-N 1 0 254.330 -0.231 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C[C@@H]1CCCO1 ZINC001124042624 813395779 /nfs/dbraw/zinc/39/57/79/813395779.db2.gz ZESYUAUUSZRFGD-LBPRGKRZSA-N 1 0 254.330 -0.089 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)CNC(=O)OC ZINC001124182412 813416076 /nfs/dbraw/zinc/41/60/76/813416076.db2.gz WOELUEWZAIUGAK-UHFFFAOYSA-N 1 0 294.149 -0.043 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnsn1 ZINC001124159492 813411837 /nfs/dbraw/zinc/41/18/37/813411837.db2.gz KHYGXCRVRKDKIH-UHFFFAOYSA-N 1 0 254.315 -0.493 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnns1 ZINC001124164432 813412638 /nfs/dbraw/zinc/41/26/38/813412638.db2.gz XOCJJQIDOCQPIQ-UHFFFAOYSA-N 1 0 254.315 -0.493 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnsn1 ZINC001124172204 813413895 /nfs/dbraw/zinc/41/38/95/813413895.db2.gz HQKYGCCSLHQLCA-QMMMGPOBSA-N 1 0 283.357 -0.452 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CNC(=O)CCC ZINC001124343962 813433716 /nfs/dbraw/zinc/43/37/16/813433716.db2.gz HDVOZOUQDXKMOW-LLVKDONJSA-N 1 0 298.387 -0.701 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(F)(F)F ZINC001124398300 813438819 /nfs/dbraw/zinc/43/88/19/813438819.db2.gz QOJNNRXXJJCRPB-QMMMGPOBSA-N 1 0 279.262 -0.218 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001124489365 813446747 /nfs/dbraw/zinc/44/67/47/813446747.db2.gz YTFQHYLVNHNGFF-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCOC2)C1=O ZINC001124501980 813448247 /nfs/dbraw/zinc/44/82/47/813448247.db2.gz PINKQKCITVZBMN-VXGBXAGGSA-N 1 0 281.356 -0.484 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccnc(F)c1 ZINC001124526644 813451282 /nfs/dbraw/zinc/45/12/82/813451282.db2.gz LMVOQSAVKFHELA-UHFFFAOYSA-N 1 0 278.287 -0.711 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccnn1C ZINC001124539369 813452480 /nfs/dbraw/zinc/45/24/80/813452480.db2.gz LNWGEHZRLAOZQG-UHFFFAOYSA-N 1 0 265.317 -0.958 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)OC ZINC001124565679 813454952 /nfs/dbraw/zinc/45/49/52/813454952.db2.gz ASXLDSCOPQRNLU-QWRGUYRKSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)OC ZINC001124568299 813457488 /nfs/dbraw/zinc/45/74/88/813457488.db2.gz VAVTWOSVUPHFBP-JTQLQIEISA-N 1 0 257.334 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CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1cocn1 ZINC001124778754 813480292 /nfs/dbraw/zinc/48/02/92/813480292.db2.gz SWBRJNSXXNITSN-UHFFFAOYSA-N 1 0 293.327 -0.244 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC(=O)N1 ZINC001124815000 813484501 /nfs/dbraw/zinc/48/45/01/813484501.db2.gz VBSZHXHDYIHQJL-SNVBAGLBSA-N 1 0 255.318 -0.827 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)CSC ZINC001124838456 813484920 /nfs/dbraw/zinc/48/49/20/813484920.db2.gz WQKYYSUZIHDZAQ-MNOVXSKESA-N 1 0 285.413 -0.171 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CSC ZINC001124838458 813485800 /nfs/dbraw/zinc/48/58/00/813485800.db2.gz WQKYYSUZIHDZAQ-WDEREUQCSA-N 1 0 285.413 -0.171 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CSC ZINC001124851090 813487357 /nfs/dbraw/zinc/48/73/57/813487357.db2.gz SJCBZMJPZWLZOW-SNVBAGLBSA-N 1 0 273.402 -0.007 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)CSC ZINC001124851089 813487414 /nfs/dbraw/zinc/48/74/14/813487414.db2.gz SJCBZMJPZWLZOW-JTQLQIEISA-N 1 0 273.402 -0.007 20 30 CBEDRO CSC[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124850361 813487765 /nfs/dbraw/zinc/48/77/65/813487765.db2.gz HWMKCOMQTDTZDK-SECBINFHSA-N 1 0 272.374 -0.669 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CNC(=O)CC)C1=O ZINC001124861895 813489215 /nfs/dbraw/zinc/48/92/15/813489215.db2.gz WOKWCDOYWJFBIJ-LLVKDONJSA-N 1 0 296.371 -0.995 20 30 CBEDRO COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124888412 813496035 /nfs/dbraw/zinc/49/60/35/813496035.db2.gz JKWKHQAOEFARBS-SNVBAGLBSA-N 1 0 270.333 -0.995 20 30 CBEDRO CCn1nncc1C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124887925 813497167 /nfs/dbraw/zinc/49/71/67/813497167.db2.gz ASOQIMSCNHEKRM-VIFPVBQESA-N 1 0 250.306 -0.337 20 30 CBEDRO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)C1=O ZINC001124902061 813497557 /nfs/dbraw/zinc/49/75/57/813497557.db2.gz GKBYDMLQEVFHGL-WDEREUQCSA-N 1 0 266.345 -0.139 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001124896171 813498300 /nfs/dbraw/zinc/49/83/00/813498300.db2.gz MYJTYRSGTJLKLA-SNVBAGLBSA-N 1 0 287.385 -0.323 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001124902511 813498469 /nfs/dbraw/zinc/49/84/69/813498469.db2.gz JTZZCPUTIRMZSR-MNOVXSKESA-N 1 0 282.344 -0.995 20 30 CBEDRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)C#N)C1=O ZINC001124902365 813498558 /nfs/dbraw/zinc/49/85/58/813498558.db2.gz IZSHOCGQCGCVQH-NXEZZACHSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001124903471 813499254 /nfs/dbraw/zinc/49/92/54/813499254.db2.gz QQHQNMOHYKMESN-MNOVXSKESA-N 1 0 282.344 -0.901 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)N(C)CC(F)(F)F ZINC001124903283 813499507 /nfs/dbraw/zinc/49/95/07/813499507.db2.gz QINXYOHTSLTVAX-MRVPVSSYSA-N 1 0 294.277 -0.127 20 30 CBEDRO COc1cncc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124904133 813499633 /nfs/dbraw/zinc/49/96/33/813499633.db2.gz WXDPNEUDYOBZCV-VIFPVBQESA-N 1 0 263.301 -0.149 20 30 CBEDRO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC001124907832 813499788 /nfs/dbraw/zinc/49/97/88/813499788.db2.gz AIFDKUZCAYPQLK-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001124904205 813500466 /nfs/dbraw/zinc/50/04/66/813500466.db2.gz XYQAYVBBLRJNOP-SNVBAGLBSA-N 1 0 293.375 -0.164 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)COCCOC)C1=O ZINC001124925173 813501964 /nfs/dbraw/zinc/50/19/64/813501964.db2.gz BEUPTFDJGYFMFN-LBPRGKRZSA-N 1 0 299.371 -0.858 20 30 CBEDRO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908895 813502325 /nfs/dbraw/zinc/50/23/25/813502325.db2.gz UWCVGCLWDFLCPJ-VHSXEESVSA-N 1 0 254.334 -0.233 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(F)nc1 ZINC001124930360 813503411 /nfs/dbraw/zinc/50/34/11/813503411.db2.gz HQOCHSIYSDCDFA-JTQLQIEISA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)CCC ZINC001124947543 813505724 /nfs/dbraw/zinc/50/57/24/813505724.db2.gz HNIOULFSRNXAGV-LLVKDONJSA-N 1 0 253.346 -0.122 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC)c1 ZINC001125020305 813510613 /nfs/dbraw/zinc/51/06/13/813510613.db2.gz UJEJNVUKWQGDGL-LLVKDONJSA-N 1 0 293.371 -0.087 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1n[nH]c(C)c1C ZINC001125061739 813513375 /nfs/dbraw/zinc/51/33/75/813513375.db2.gz LMBUQXIKONPNKJ-UHFFFAOYSA-N 1 0 279.344 -0.352 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)COCCCC ZINC001125072027 813513813 /nfs/dbraw/zinc/51/38/13/813513813.db2.gz METSUJOMWMOGNI-UHFFFAOYSA-N 1 0 269.345 -0.742 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CCOCC1 ZINC001125072465 813513926 /nfs/dbraw/zinc/51/39/26/813513926.db2.gz UBWJQABXTHQTFL-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CCOCC1 ZINC001125072467 813514231 /nfs/dbraw/zinc/51/42/31/813514231.db2.gz UBWJQABXTHQTFL-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ccon1 ZINC001125098621 813519011 /nfs/dbraw/zinc/51/90/11/813519011.db2.gz JFJKKNHCLMJRBF-SNVBAGLBSA-N 1 0 278.312 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259.737 -0.029 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CC(=O)NC ZINC001125248423 813539903 /nfs/dbraw/zinc/53/99/03/813539903.db2.gz WQIMCKXJOLEWMN-UHFFFAOYSA-N 1 0 257.334 -0.579 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001125252990 813540781 /nfs/dbraw/zinc/54/07/81/813540781.db2.gz SXXZBORERWHSGY-NSHDSACASA-N 1 0 297.355 -0.520 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001125256468 813540928 /nfs/dbraw/zinc/54/09/28/813540928.db2.gz YTYKKXDZGDOKRV-NSHDSACASA-N 1 0 271.361 -0.061 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125308481 813543315 /nfs/dbraw/zinc/54/33/15/813543315.db2.gz FEHOTUHGWMHDAK-SNVBAGLBSA-N 1 0 292.339 -0.203 20 30 CBEDRO Cc1[nH]ccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125429377 813552082 /nfs/dbraw/zinc/55/20/82/813552082.db2.gz DNDZCWPKDCYFRW-UHFFFAOYSA-N 1 0 263.301 -0.718 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCOC1 ZINC001125459514 813554752 /nfs/dbraw/zinc/55/47/52/813554752.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C)ncn1 ZINC001125797650 813581498 /nfs/dbraw/zinc/58/14/98/813581498.db2.gz JBTQLTNJNVOFLQ-NSHDSACASA-N 1 0 289.339 -0.758 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CO[C@H](C)CC ZINC001125824642 813583351 /nfs/dbraw/zinc/58/33/51/813583351.db2.gz ONRFZFRHAPZNEK-LLVKDONJSA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CO[C@@H](C)CC ZINC001125831000 813586245 /nfs/dbraw/zinc/58/62/45/813586245.db2.gz IUWIAGVXEKWFRX-RYUDHWBXSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001125935130 813593457 /nfs/dbraw/zinc/59/34/57/813593457.db2.gz SKYQCUWCXAWBOZ-UHFFFAOYSA-N 1 0 296.371 -0.269 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1csnc1C ZINC001125966768 813597602 /nfs/dbraw/zinc/59/76/02/813597602.db2.gz ALSKZCGYZLSPGN-SNVBAGLBSA-N 1 0 294.380 -0.091 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+]CC(=O)N2CCCC2)c[nH]1 ZINC001125987709 813598170 /nfs/dbraw/zinc/59/81/70/813598170.db2.gz APHDQCAUYGWKPK-UHFFFAOYSA-N 1 0 289.339 -0.172 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001125982020 813598259 /nfs/dbraw/zinc/59/82/59/813598259.db2.gz PAIYCGKZJFBKMG-NSHDSACASA-N 1 0 289.339 -0.617 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cncc(C)c1 ZINC001125978314 813598489 /nfs/dbraw/zinc/59/84/89/813598489.db2.gz NWJLYGNHHUWQAR-UHFFFAOYSA-N 1 0 288.351 -0.265 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cncc(F)c1 ZINC001125978683 813598564 /nfs/dbraw/zinc/59/85/64/813598564.db2.gz WTAOPYBTLUWFRQ-UHFFFAOYSA-N 1 0 292.314 -0.434 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC(C)(C)C ZINC001125981831 813598608 /nfs/dbraw/zinc/59/86/08/813598608.db2.gz LZVGEDZUXFDMFJ-NSHDSACASA-N 1 0 283.372 -0.355 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)c[nH]1 ZINC001125987753 813598773 /nfs/dbraw/zinc/59/87/73/813598773.db2.gz BSUHEGYGAIIJOR-LLVKDONJSA-N 1 0 275.312 -0.516 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1c(C)noc1C ZINC001125977859 813598813 /nfs/dbraw/zinc/59/88/13/813598813.db2.gz 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20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC#CCOC ZINC001126366079 813641052 /nfs/dbraw/zinc/64/10/52/813641052.db2.gz QNSUCKCVHUBKSF-ZDUSSCGKSA-N 1 0 254.330 -0.331 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001126378167 813641966 /nfs/dbraw/zinc/64/19/66/813641966.db2.gz IOVUTOGIBBMWID-MFKMUULPSA-N 1 0 269.345 -0.750 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001126384159 813642104 /nfs/dbraw/zinc/64/21/04/813642104.db2.gz NDIAQHNDIZQHAE-GXTWGEPZSA-N 1 0 296.371 -0.723 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001126378748 813642129 /nfs/dbraw/zinc/64/21/29/813642129.db2.gz QSRKFGCCYWKBHO-LBPRGKRZSA-N 1 0 292.401 -0.546 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001126378001 813642466 /nfs/dbraw/zinc/64/24/66/813642466.db2.gz HMZCEHYWRPVYKT-SMDDNHRTSA-N 1 0 293.371 -0.202 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001126385052 813642895 /nfs/dbraw/zinc/64/28/95/813642895.db2.gz 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-0.233 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](OCC)[C@H]1CCOC1 ZINC001131884464 814082295 /nfs/dbraw/zinc/08/22/95/814082295.db2.gz NMJAZTZBGUMMFJ-RYUDHWBXSA-N 1 0 254.330 -0.233 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1coc(OC)n1 ZINC001131924739 814086281 /nfs/dbraw/zinc/08/62/81/814086281.db2.gz AXOARTINBRCOBS-SECBINFHSA-N 1 0 294.311 -0.860 20 30 CBEDRO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@@H]1C ZINC001131964626 814088769 /nfs/dbraw/zinc/08/87/69/814088769.db2.gz IMFLAUCGNSHKNL-RYUDHWBXSA-N 1 0 281.356 -0.519 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@@H]1C ZINC001131972091 814088988 /nfs/dbraw/zinc/08/89/88/814088988.db2.gz PMWCOKNIINTEHP-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CC[N@@H+]1C[C@H](NC(=O)CCNC(=O)NC)CC[C@H]1C ZINC001132013716 814094216 /nfs/dbraw/zinc/09/42/16/814094216.db2.gz NNMXNGDQBBNZRH-VXGBXAGGSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001132029052 814095310 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279.340 -0.309 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132636718 814173953 /nfs/dbraw/zinc/17/39/53/814173953.db2.gz BLQMPZPPKLCWFO-MNOVXSKESA-N 1 0 266.345 -0.638 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132636720 814174300 /nfs/dbraw/zinc/17/43/00/814174300.db2.gz BLQMPZPPKLCWFO-WDEREUQCSA-N 1 0 266.345 -0.638 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)co1 ZINC001132640505 814176341 /nfs/dbraw/zinc/17/63/41/814176341.db2.gz ABAJWSQJOOSQEY-UHFFFAOYSA-N 1 0 263.297 -0.343 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001132663080 814177925 /nfs/dbraw/zinc/17/79/25/814177925.db2.gz PCOQAQQYHCJBNO-VHSXEESVSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132709167 814179234 /nfs/dbraw/zinc/17/92/34/814179234.db2.gz JWWNDVOBQKVEJF-RYUDHWBXSA-N 1 0 283.372 -0.252 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132718464 814181286 /nfs/dbraw/zinc/18/12/86/814181286.db2.gz MKRRHTSRLABDNJ-ZDUSSCGKSA-N 1 0 251.330 -0.368 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C ZINC001132716800 814181460 /nfs/dbraw/zinc/18/14/60/814181460.db2.gz GWBQZZKBGYCJOD-RYUDHWBXSA-N 1 0 265.357 -0.041 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132709168 814181572 /nfs/dbraw/zinc/18/15/72/814181572.db2.gz JWWNDVOBQKVEJF-VXGBXAGGSA-N 1 0 283.372 -0.252 20 30 CBEDRO CCn1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1C ZINC001132728168 814182052 /nfs/dbraw/zinc/18/20/52/814182052.db2.gz KOQNMJHNSIBCNH-UHFFFAOYSA-N 1 0 291.355 -0.224 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001132757022 814184881 /nfs/dbraw/zinc/18/48/81/814184881.db2.gz HYBYRNRJHGBAOU-VXGBXAGGSA-N 1 0 291.355 -0.309 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cnoc1 ZINC001132758677 814186645 /nfs/dbraw/zinc/18/66/45/814186645.db2.gz FESWYBINZKGPHY-SNVBAGLBSA-N 1 0 278.312 -0.939 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCO)C1 ZINC001132770895 814187198 /nfs/dbraw/zinc/18/71/98/814187198.db2.gz ZPQCVXYJSKKZNE-QWHCGFSZSA-N 1 0 295.383 -0.808 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCOC1 ZINC001132867569 814197609 /nfs/dbraw/zinc/19/76/09/814197609.db2.gz JCIPPIGQMPJFTC-GXFFZTMASA-N 1 0 287.335 -0.489 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132923763 814201227 /nfs/dbraw/zinc/20/12/27/814201227.db2.gz QGFZUYNOIGFSDB-NSHDSACASA-N 1 0 275.356 -0.351 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)COc1cnn(C)c1 ZINC001132964323 814204802 /nfs/dbraw/zinc/20/48/02/814204802.db2.gz JZZFHTPZIAPMMG-UHFFFAOYSA-N 1 0 282.344 -0.293 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[C@H]1C ZINC001133037856 814210561 /nfs/dbraw/zinc/21/05/61/814210561.db2.gz XWSQEWNIQQVFIG-GHMZBOCLSA-N 1 0 276.344 -0.469 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133078697 814213424 /nfs/dbraw/zinc/21/34/24/814213424.db2.gz WLZUXCRUUFMLRZ-GHMZBOCLSA-N 1 0 251.330 -0.431 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133078841 814213926 /nfs/dbraw/zinc/21/39/26/814213926.db2.gz WYDCDKQUHWTVAH-NEPJUHHUSA-N 1 0 281.356 -0.804 20 30 CBEDRO CO[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133075828 814214305 /nfs/dbraw/zinc/21/43/05/814214305.db2.gz DHIJTCXWIAHSNM-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1C ZINC001133081765 814214969 /nfs/dbraw/zinc/21/49/69/814214969.db2.gz BNYXERRJVMOLJA-NEPJUHHUSA-N 1 0 277.368 -0.041 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccnc1C ZINC001133111853 814215851 /nfs/dbraw/zinc/21/58/51/814215851.db2.gz QBWSKNGSTURKKA-LBPRGKRZSA-N 1 0 288.351 -0.153 20 30 CBEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001133129226 814220435 /nfs/dbraw/zinc/22/04/35/814220435.db2.gz WORRRYQZGRCBLI-ZDUSSCGKSA-N 1 0 286.335 -0.575 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)C(C)C ZINC001133342460 814243281 /nfs/dbraw/zinc/24/32/81/814243281.db2.gz JKILGZRVKRVKRS-LBPRGKRZSA-N 1 0 269.345 -0.887 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)C(N)=O)cc1F ZINC001133205942 814229977 /nfs/dbraw/zinc/22/99/77/814229977.db2.gz DOEVEYJJOCDVRV-UHFFFAOYSA-N 1 0 264.260 -0.612 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133302648 814239209 /nfs/dbraw/zinc/23/92/09/814239209.db2.gz PYIFFKXOINVMKD-NWDGAFQWSA-N 1 0 280.372 -0.248 20 30 CBEDRO C[C@H]1C[C@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133339442 814244405 /nfs/dbraw/zinc/24/44/05/814244405.db2.gz XUHVXTKWONDMCX-UWVGGRQHSA-N 1 0 252.318 -0.622 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133378756 814247669 /nfs/dbraw/zinc/24/76/69/814247669.db2.gz MHUSWSUSBFXQEQ-GFCCVEGCSA-N 1 0 270.333 -0.511 20 30 CBEDRO CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133417208 814251921 /nfs/dbraw/zinc/25/19/21/814251921.db2.gz ARNPHKQZDYJBOC-ZJUUUORDSA-N 1 0 254.334 -0.091 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133470953 814258109 /nfs/dbraw/zinc/25/81/09/814258109.db2.gz QBGGHKBQIHEKGL-MRVPVSSYSA-N 1 0 281.291 -0.994 20 30 CBEDRO COCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133462080 814258245 /nfs/dbraw/zinc/25/82/45/814258245.db2.gz RDCMJTCMAYTCPW-UWVGGRQHSA-N 1 0 270.333 -0.855 20 30 CBEDRO CCc1nocc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133485143 814261049 /nfs/dbraw/zinc/26/10/49/814261049.db2.gz WAXKKCBAYVNHHO-UHFFFAOYSA-N 1 0 279.300 -0.804 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCOC ZINC001133488441 814261736 /nfs/dbraw/zinc/26/17/36/814261736.db2.gz WQNQUNCFPDHNHV-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC001133496172 814262529 /nfs/dbraw/zinc/26/25/29/814262529.db2.gz HURAEGHZNCSKNC-NWDGAFQWSA-N 1 0 281.356 -0.886 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001133537656 814271906 /nfs/dbraw/zinc/27/19/06/814271906.db2.gz 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N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159676629 815586994 /nfs/dbraw/zinc/58/69/94/815586994.db2.gz IDDIIEJSWPAMHF-VXNVDRBHSA-N 1 0 263.257 -0.146 20 30 CBEDRO C=C(C)C(=O)NCCCNC(=O)CC[NH+]1CCN(C)CC1 ZINC001143236412 814765033 /nfs/dbraw/zinc/76/50/33/814765033.db2.gz FOFDTPKCIUYPGE-UHFFFAOYSA-N 1 0 296.415 -0.178 20 30 CBEDRO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159680244 815588400 /nfs/dbraw/zinc/58/84/00/815588400.db2.gz ZGFACXOHPNUOEV-SCZZXKLOSA-N 1 0 263.257 -0.146 20 30 CBEDRO COC(=O)C1(C#N)CCN(C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144136807 814773389 /nfs/dbraw/zinc/77/33/89/814773389.db2.gz LLEXRQZVWCADQH-UHFFFAOYSA-N 1 0 281.316 -0.883 20 30 CBEDRO CN(CC(=O)N/C=C/C(=O)C(F)(F)F)C(N)=[NH2+] ZINC001144142739 814773700 /nfs/dbraw/zinc/77/37/00/814773700.db2.gz LFDSSUHXNBDOBL-NSCUHMNNSA-N 1 0 252.196 -0.427 20 30 CBEDRO C=C(CO)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001144220417 814774543 /nfs/dbraw/zinc/77/45/43/814774543.db2.gz 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C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cccnn1 ZINC001317279928 816957150 /nfs/dbraw/zinc/95/71/50/816957150.db2.gz ITRILLROFWAJNJ-JTQLQIEISA-N 1 0 277.328 -0.513 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001317283519 816957249 /nfs/dbraw/zinc/95/72/49/816957249.db2.gz HENKSEVSYOMPRB-JQWIXIFHSA-N 1 0 289.401 -0.261 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001317281385 816957475 /nfs/dbraw/zinc/95/74/75/816957475.db2.gz CORYNZDJXUJWHH-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C=CC[NH2+][C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001317284105 816957844 /nfs/dbraw/zinc/95/78/44/816957844.db2.gz NLDBHRAITCDJEE-SECBINFHSA-N 1 0 250.302 -0.326 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cn(CC)cn1 ZINC001317284535 816958785 /nfs/dbraw/zinc/95/87/85/816958785.db2.gz WJOXCMVJLINPKO-NSHDSACASA-N 1 0 291.355 -0.640 20 30 CBEDRO C=CCCOCC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001317289216 816959099 /nfs/dbraw/zinc/95/90/99/816959099.db2.gz 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COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC(N)=O ZINC001319135628 817168166 /nfs/dbraw/zinc/16/81/66/817168166.db2.gz WRSSUEPLYMBEKS-CYBMUJFWSA-N 1 0 295.383 -0.128 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cnccn1 ZINC001319154548 817170492 /nfs/dbraw/zinc/17/04/92/817170492.db2.gz NSNUBCVBYAKGCF-LLVKDONJSA-N 1 0 291.355 -0.266 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)Cn1cnnn1 ZINC001319158893 817170808 /nfs/dbraw/zinc/17/08/08/817170808.db2.gz WFNWYBDRWFXKJJ-JTQLQIEISA-N 1 0 250.306 -0.962 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001319164959 817171872 /nfs/dbraw/zinc/17/18/72/817171872.db2.gz NBZYCMJHQXRPKU-VXGBXAGGSA-N 1 0 283.372 -0.333 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CCC(=O)NCC ZINC001319169251 817171936 /nfs/dbraw/zinc/17/19/36/817171936.db2.gz ZQMDJRKZSHOWQA-NSHDSACASA-N 1 0 253.346 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CCC(=O)NCC ZINC001319169250 817172137 /nfs/dbraw/zinc/17/21/37/817172137.db2.gz ZQMDJRKZSHOWQA-LLVKDONJSA-N 1 0 253.346 -0.122 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001319165277 817172273 /nfs/dbraw/zinc/17/22/73/817172273.db2.gz QSBPUOVKPMUCTB-NWDGAFQWSA-N 1 0 299.371 -0.954 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001319174025 817173043 /nfs/dbraw/zinc/17/30/43/817173043.db2.gz OJHJRMSVUXUJAG-NEPJUHHUSA-N 1 0 253.346 -0.708 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001319178795 817173178 /nfs/dbraw/zinc/17/31/78/817173178.db2.gz KGFDFEKIXHHHRV-SNVBAGLBSA-N 1 0 263.345 -0.019 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CC(=O)NCC ZINC001319179174 817173201 /nfs/dbraw/zinc/17/32/01/817173201.db2.gz MHGUYBHATFSZAE-LLVKDONJSA-N 1 0 253.346 -0.122 20 30 CBEDRO CCn1ncc(C(=O)NC[C@H](C)C[NH2+]CC#CCOC)n1 ZINC001319179281 817173795 /nfs/dbraw/zinc/17/37/95/817173795.db2.gz AEUQEVARMPJHPI-GFCCVEGCSA-N 1 0 293.371 -0.097 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001319186036 817174447 /nfs/dbraw/zinc/17/44/47/817174447.db2.gz PBHVAZNHBNRIPT-NXEZZACHSA-N 1 0 256.350 -0.039 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(C)CC1 ZINC001319189122 817174600 /nfs/dbraw/zinc/17/46/00/817174600.db2.gz LXHRXUXFYIRGQJ-NSHDSACASA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CN(C)C(=O)C1CC1 ZINC001319197335 817175802 /nfs/dbraw/zinc/17/58/02/817175802.db2.gz VREULDUMNICNDN-NSHDSACASA-N 1 0 265.357 -0.170 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001319197378 817175983 /nfs/dbraw/zinc/17/59/83/817175983.db2.gz PDKQLWJQHIJCQJ-GFCCVEGCSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001319228209 817178736 /nfs/dbraw/zinc/17/87/36/817178736.db2.gz FWCIMCCHLNHIPD-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc(=O)n1C ZINC001319242673 817180864 /nfs/dbraw/zinc/18/08/64/817180864.db2.gz ASFJADKQNNEHFB-LLVKDONJSA-N 1 0 261.325 -0.026 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001319245034 817181202 /nfs/dbraw/zinc/18/12/02/817181202.db2.gz KIMUWALPMTVIKY-RISCZKNCSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)c1cccc(=O)n1C ZINC001319242675 817181364 /nfs/dbraw/zinc/18/13/64/817181364.db2.gz ASFJADKQNNEHFB-NSHDSACASA-N 1 0 261.325 -0.026 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001319285338 817186500 /nfs/dbraw/zinc/18/65/00/817186500.db2.gz ZBKSHASFVUNDPQ-NSHDSACASA-N 1 0 291.355 -0.875 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCCC1 ZINC001319368324 817197048 /nfs/dbraw/zinc/19/70/48/817197048.db2.gz FXEDSBHNUBCJHZ-NSHDSACASA-N 1 0 278.356 -0.338 20 30 CBEDRO CC(C)(CO)[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC001319387019 817197905 /nfs/dbraw/zinc/19/79/05/817197905.db2.gz XGHMITHUWOWZHJ-UHFFFAOYSA-N 1 0 268.361 -0.595 20 30 CBEDRO Cc1ncoc1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319439277 817204912 /nfs/dbraw/zinc/20/49/12/817204912.db2.gz KGMNZLPZYYINAH-SECBINFHSA-N 1 0 293.327 -0.327 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001319455331 817206072 /nfs/dbraw/zinc/20/60/72/817206072.db2.gz QXIOMHULGKBMFE-ZIAGYGMSSA-N 1 0 298.383 -0.122 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1cncnc1 ZINC001319448231 817206098 /nfs/dbraw/zinc/20/60/98/817206098.db2.gz KBXGQDZBFGLTKV-JTQLQIEISA-N 1 0 290.327 -0.834 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001319453992 817206132 /nfs/dbraw/zinc/20/61/32/817206132.db2.gz KYPLQPGICGBARB-WDEREUQCSA-N 1 0 269.345 -0.663 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001319453989 817206250 /nfs/dbraw/zinc/20/62/50/817206250.db2.gz KYPLQPGICGBARB-GHMZBOCLSA-N 1 0 269.345 -0.663 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CNS(=O)(=O)CC ZINC001319465882 817207579 /nfs/dbraw/zinc/20/75/79/817207579.db2.gz HEYNVMJHUAGOSZ-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CCNC1=O ZINC001319473413 817209563 /nfs/dbraw/zinc/20/95/63/817209563.db2.gz RWFPSHYTPYVYEJ-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C(N)=O ZINC001319477331 817209757 /nfs/dbraw/zinc/20/97/57/817209757.db2.gz VMLDOAGJXLRKNA-NSHDSACASA-N 1 0 283.372 -0.416 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001319486358 817210723 /nfs/dbraw/zinc/21/07/23/817210723.db2.gz OAANGVWSUJNLMY-SECBINFHSA-N 1 0 275.299 -0.173 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cncn1C ZINC001319494147 817210991 /nfs/dbraw/zinc/21/09/91/817210991.db2.gz QBDLXIGCXVIOIM-NSHDSACASA-N 1 0 291.355 -0.780 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001319549767 817217288 /nfs/dbraw/zinc/21/72/88/817217288.db2.gz PGRAOJSVCANBRS-SECBINFHSA-N 1 0 280.332 -0.843 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001319549768 817217382 /nfs/dbraw/zinc/21/73/82/817217382.db2.gz PGRAOJSVCANBRS-VIFPVBQESA-N 1 0 280.332 -0.843 20 30 CBEDRO N#CCn1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)cn1 ZINC001319559959 817219871 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CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001319790471 817243376 /nfs/dbraw/zinc/24/33/76/817243376.db2.gz KHFXMVDJXVYBOC-JQWIXIFHSA-N 1 0 266.345 -0.137 20 30 CBEDRO CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001319790556 817243409 /nfs/dbraw/zinc/24/34/09/817243409.db2.gz KHFXMVDJXVYBOC-ZYHUDNBSSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001319801265 817244860 /nfs/dbraw/zinc/24/48/60/817244860.db2.gz KLSXICYVIRCGRW-VXGBXAGGSA-N 1 0 286.397 -0.119 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001319860406 817248481 /nfs/dbraw/zinc/24/84/81/817248481.db2.gz GHMCWOXZHXDMJX-NEPJUHHUSA-N 1 0 283.372 -0.109 20 30 CBEDRO C=CCC[NH2+][C@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001319897456 817252435 /nfs/dbraw/zinc/25/24/35/817252435.db2.gz XATPPPFODVDCRN-LLVKDONJSA-N 1 0 266.349 -0.020 20 30 CBEDRO CC(C)[C@@H](O)C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC001319910019 817254460 /nfs/dbraw/zinc/25/44/60/817254460.db2.gz BZBSEDAJFRGMOO-DGCLKSJQSA-N 1 0 298.387 -0.627 20 30 CBEDRO CC(C)[C@@H](CNC(=O)C#CC1CC1)[NH2+]CC(=O)NC(N)=O ZINC001319910233 817254866 /nfs/dbraw/zinc/25/48/66/817254866.db2.gz GQYSAPSCOPCEIY-LLVKDONJSA-N 1 0 294.355 -0.675 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CCC(=O)NCC ZINC001319980477 817263191 /nfs/dbraw/zinc/26/31/91/817263191.db2.gz BPJHWKNKRSTHPO-UHFFFAOYSA-N 1 0 253.346 -0.074 20 30 CBEDRO CN(CCN(C)C(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001320080525 817275758 /nfs/dbraw/zinc/27/57/58/817275758.db2.gz MJHMRWJTFCSELP-UHFFFAOYSA-N 1 0 295.387 -0.888 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN1CCOCC1=O ZINC001320128993 817280300 /nfs/dbraw/zinc/28/03/00/817280300.db2.gz BSEQZFPPMNJQLT-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001320201109 817290046 /nfs/dbraw/zinc/29/00/46/817290046.db2.gz HUDYBEMCWMGBGE-CYBMUJFWSA-N 1 0 280.372 -0.005 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)COC1CCCC1 ZINC001320202529 817290291 /nfs/dbraw/zinc/29/02/91/817290291.db2.gz SAPXRMLEVIHEFT-CYBMUJFWSA-N 1 0 298.383 -0.338 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nn(C)cc1C ZINC001320214844 817294151 /nfs/dbraw/zinc/29/41/51/817294151.db2.gz AYIVWMKAGCXMHP-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001320215256 817294570 /nfs/dbraw/zinc/29/45/70/817294570.db2.gz RFJANCQMUZGQJM-ZFWWWQNUSA-N 1 0 293.367 -0.025 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001320214778 817294587 /nfs/dbraw/zinc/29/45/87/817294587.db2.gz AIJQTHTZLDKJCW-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001320216357 817295557 /nfs/dbraw/zinc/29/55/57/817295557.db2.gz YAFGFXMRKFBDLB-QWHCGFSZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001320219087 817296877 /nfs/dbraw/zinc/29/68/77/817296877.db2.gz ZCSDOWGQUBYVEJ-ZYHUDNBSSA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001320233523 817300254 /nfs/dbraw/zinc/30/02/54/817300254.db2.gz RUOWEQTYKNKZJD-GVXVVHGQSA-N 1 0 252.314 -0.887 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2ncnn21 ZINC001320244002 817303008 /nfs/dbraw/zinc/30/30/08/817303008.db2.gz DUZMKTRBTBFKTA-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2n[nH]nc21 ZINC001320245061 817303241 /nfs/dbraw/zinc/30/32/41/817303241.db2.gz KXNQXWCGRWSUFJ-SECBINFHSA-N 1 0 288.311 -0.944 20 30 CBEDRO O=C(NC[C@@H](O)C[NH2+]CC#Cc1ccccc1)c1cn[nH]n1 ZINC001320241309 817303382 /nfs/dbraw/zinc/30/33/82/817303382.db2.gz FYXWIBHCEMRZSN-ZDUSSCGKSA-N 1 0 299.334 -0.463 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001320244219 817303411 /nfs/dbraw/zinc/30/34/11/817303411.db2.gz ZDOKADFHJBTUQW-LLVKDONJSA-N 1 0 290.367 -0.008 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001320248679 817304692 /nfs/dbraw/zinc/30/46/92/817304692.db2.gz GNQBOGREFSOXJM-LBPRGKRZSA-N 1 0 277.324 -0.337 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1csnn1 ZINC001320256279 817305444 /nfs/dbraw/zinc/30/54/44/817305444.db2.gz BSUXZSWKQGHHQY-QMMMGPOBSA-N 1 0 256.331 -0.206 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](CC)C(N)=O ZINC001320259054 817306759 /nfs/dbraw/zinc/30/67/59/817306759.db2.gz OKPPSFSJBVTSKO-VHSXEESVSA-N 1 0 271.361 -0.471 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001320260552 817306793 /nfs/dbraw/zinc/30/67/93/817306793.db2.gz AGUSGWQCJVEXOW-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001320259693 817306802 /nfs/dbraw/zinc/30/68/02/817306802.db2.gz NNDYRKUFPXALNV-ZDUSSCGKSA-N 1 0 299.334 -0.419 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001320259692 817307316 /nfs/dbraw/zinc/30/73/16/817307316.db2.gz NNDYRKUFPXALNV-CYBMUJFWSA-N 1 0 299.334 -0.419 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](OC)C(C)C ZINC001320270705 817309469 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C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C)[nH]c1=O ZINC001320283911 817312753 /nfs/dbraw/zinc/31/27/53/817312753.db2.gz ZOVLWJJHNIWOBK-JTQLQIEISA-N 1 0 263.297 -0.591 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc2cccnn21 ZINC001320283227 817313042 /nfs/dbraw/zinc/31/30/42/817313042.db2.gz MLQJIJOPCGFTAL-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1ccnc1C(C)C ZINC001320285398 817314335 /nfs/dbraw/zinc/31/43/35/817314335.db2.gz ZVSOYDLZOJYUSR-LBPRGKRZSA-N 1 0 278.356 -0.294 20 30 CBEDRO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCC#N)CC1 ZINC001320284668 817314994 /nfs/dbraw/zinc/31/49/94/817314994.db2.gz VXIMFXSCHRBMBC-LBPRGKRZSA-N 1 0 268.361 -0.691 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCn1ccnc1C ZINC001320286805 817315071 /nfs/dbraw/zinc/31/50/71/817315071.db2.gz PTVQYDLWSWRBHP-ZDUSSCGKSA-N 1 0 278.356 -0.328 20 30 CBEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC001320291649 817316421 /nfs/dbraw/zinc/31/64/21/817316421.db2.gz FGBDLGILWDNYFX-JTQLQIEISA-N 1 0 281.399 -0.246 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1snnc1C(C)C ZINC001320293580 817317579 /nfs/dbraw/zinc/31/75/79/817317579.db2.gz WJUATPYLYZDZFM-VIFPVBQESA-N 1 0 282.369 -0.025 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C ZINC001320302506 817319991 /nfs/dbraw/zinc/31/99/91/817319991.db2.gz ZBOUUOOAOKJQJQ-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1C1CC1 ZINC001320314615 817321562 /nfs/dbraw/zinc/32/15/62/817321562.db2.gz FAGRUQBBOGXWRO-LLVKDONJSA-N 1 0 276.340 -0.389 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C#N ZINC001320372921 817328841 /nfs/dbraw/zinc/32/88/41/817328841.db2.gz SBWVGJZBDRTISU-NXEZZACHSA-N 1 0 297.359 -0.524 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C#N ZINC001320372924 817329226 /nfs/dbraw/zinc/32/92/26/817329226.db2.gz SBWVGJZBDRTISU-UWVGGRQHSA-N 1 0 297.359 -0.524 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001320372925 817329700 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C[C@H](CC#N)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320577638 817356563 /nfs/dbraw/zinc/35/65/63/817356563.db2.gz LZZPJBHZMHCDPA-SNVBAGLBSA-N 1 0 292.343 -0.198 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cnon1 ZINC001320580716 817358206 /nfs/dbraw/zinc/35/82/06/817358206.db2.gz CYLLKBHVAVFNOO-ZJUUUORDSA-N 1 0 293.327 -0.695 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1ccc[nH]1 ZINC001320674550 817371990 /nfs/dbraw/zinc/37/19/90/817371990.db2.gz RTRMDGXPFUUMFD-UHFFFAOYSA-N 1 0 276.340 -0.184 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cn[nH]c1 ZINC001320683790 817375681 /nfs/dbraw/zinc/37/56/81/817375681.db2.gz QZXYOEQXZXDYRX-UHFFFAOYSA-N 1 0 277.328 -0.789 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001320693889 817376724 /nfs/dbraw/zinc/37/67/24/817376724.db2.gz VGGAOQUCMXUXNF-CHWSQXEVSA-N 1 0 296.367 -0.117 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CO[C@@H](C)C1 ZINC001320778976 817391893 /nfs/dbraw/zinc/39/18/93/817391893.db2.gz FBXVUGHOIBHKIZ-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001320780250 817392360 /nfs/dbraw/zinc/39/23/60/817392360.db2.gz NXQVWQGNWANZTI-RYUDHWBXSA-N 1 0 296.371 -0.511 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001320845447 817403207 /nfs/dbraw/zinc/40/32/07/817403207.db2.gz APZIZFROIQHQIG-AGIUHOORSA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)Cc1nc2ncccn2n1 ZINC001320920725 817411199 /nfs/dbraw/zinc/41/11/99/817411199.db2.gz ICKIHWJHDYHWCW-UHFFFAOYSA-N 1 0 286.339 -0.262 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1cc(C(N)=O)ccn1 ZINC001320937359 817414434 /nfs/dbraw/zinc/41/44/34/817414434.db2.gz CVSPGTSCGSXTOF-UHFFFAOYSA-N 1 0 274.324 -0.135 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001320979143 817420471 /nfs/dbraw/zinc/42/04/71/817420471.db2.gz NKIBOKJJIYKNNZ-ZRMMWKCHSA-N 1 0 282.340 -0.686 20 30 CBEDRO CS[C@@H](C)C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001320980133 817421137 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C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1cncn1C ZINC001171228881 820351313 /nfs/dbraw/zinc/35/13/13/820351313.db2.gz VVEWCKSPRLKGPN-UHFFFAOYSA-N 1 0 293.371 -0.639 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1Nc1nccc(C2C[NH2+]C2)n1 ZINC001171365119 820359667 /nfs/dbraw/zinc/35/96/67/820359667.db2.gz LPCALUNMIUKUKN-XVKPBYJWSA-N 1 0 263.301 -0.189 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]C[C@@H](O)COC)nc1 ZINC001171585349 820362123 /nfs/dbraw/zinc/36/21/23/820362123.db2.gz ROHVAKIEXNIDFP-CYBMUJFWSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)nc1 ZINC001171585509 820363039 /nfs/dbraw/zinc/36/30/39/820363039.db2.gz XTGZVRBTKZQJSU-JTQLQIEISA-N 1 0 274.324 -0.354 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)cn1 ZINC001171594997 820363471 /nfs/dbraw/zinc/36/34/71/820363471.db2.gz RMSAAVSJQORRIH-CYBMUJFWSA-N 1 0 286.335 -0.339 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001171638780 820365610 /nfs/dbraw/zinc/36/56/10/820365610.db2.gz FFAICJQGAHACEH-CQSZACIVSA-N 1 0 297.399 -0.107 20 30 CBEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)NCC(N)=O ZINC001172305726 820395039 /nfs/dbraw/zinc/39/50/39/820395039.db2.gz UMAAQOHBRQWMBX-SNVBAGLBSA-N 1 0 274.324 -0.320 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001174835092 820417444 /nfs/dbraw/zinc/41/74/44/820417444.db2.gz DNBXALZIZJDJGU-ZDUSSCGKSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001175285718 820424199 /nfs/dbraw/zinc/42/41/99/820424199.db2.gz HPTKAZACGSVPQR-UHFFFAOYSA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CCC(=O)N1CCOCC1 ZINC001175367609 820425045 /nfs/dbraw/zinc/42/50/45/820425045.db2.gz WFTQWJDOYQQPRI-UHFFFAOYSA-N 1 0 295.383 -0.255 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175549434 820428406 /nfs/dbraw/zinc/42/84/06/820428406.db2.gz LQIJHUGBWJAMPN-UHFFFAOYSA-N 1 0 268.317 -0.790 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001175689445 820431151 /nfs/dbraw/zinc/43/11/51/820431151.db2.gz ZBIHDZCNEQCNLQ-UHFFFAOYSA-N 1 0 280.372 -0.104 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)C(=O)Nc1cc(C)on1 ZINC001175990121 820436763 /nfs/dbraw/zinc/43/67/63/820436763.db2.gz LBRLBKPQARTYLJ-UHFFFAOYSA-N 1 0 264.285 -0.349 20 30 CBEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNCC#N ZINC001176169006 820442251 /nfs/dbraw/zinc/44/22/51/820442251.db2.gz IOQUURNCVXSDQX-GFCCVEGCSA-N 1 0 268.361 -0.426 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001176639108 820454768 /nfs/dbraw/zinc/45/47/68/820454768.db2.gz NAEAUMVBEIGANO-NSHDSACASA-N 1 0 289.401 -0.567 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176278930 820444877 /nfs/dbraw/zinc/44/48/77/820444877.db2.gz VDVLWEWSRYOFCS-VIFPVBQESA-N 1 0 295.792 -0.474 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001176350116 820447164 /nfs/dbraw/zinc/44/71/64/820447164.db2.gz YAODCXRJAKZFHR-UHFFFAOYSA-N 1 0 289.401 -0.567 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)COc1ccc(C(N)=O)cc1 ZINC001176452464 820449781 /nfs/dbraw/zinc/44/97/81/820449781.db2.gz YMTJOPJUXRZETL-UHFFFAOYSA-N 1 0 289.335 -0.107 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001176850770 820472437 /nfs/dbraw/zinc/47/24/37/820472437.db2.gz NZKGRMBPRSUMAU-LBPRGKRZSA-N 1 0 275.356 -0.040 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001176850766 820472460 /nfs/dbraw/zinc/47/24/60/820472460.db2.gz NZKGRMBPRSUMAU-GFCCVEGCSA-N 1 0 275.356 -0.040 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)C(C)(C)NC(=O)NC ZINC001176911396 820479143 /nfs/dbraw/zinc/47/91/43/820479143.db2.gz GQAZRKKNYZYFTO-UHFFFAOYSA-N 1 0 256.350 -0.024 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001177011489 820488457 /nfs/dbraw/zinc/48/84/57/820488457.db2.gz MGYCWUGXNRFPHU-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C[NH+](C)CCC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 ZINC001177081899 820492374 /nfs/dbraw/zinc/49/23/74/820492374.db2.gz SOBRJYBHSOOWLZ-QWHCGFSZSA-N 1 0 280.372 -0.237 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001177264592 820500832 /nfs/dbraw/zinc/50/08/32/820500832.db2.gz PRVVMYIBXASINL-GFCCVEGCSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001177269233 820501183 /nfs/dbraw/zinc/50/11/83/820501183.db2.gz IFIWTYZXBWJKHK-LLVKDONJSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001177273266 820501459 /nfs/dbraw/zinc/50/14/59/820501459.db2.gz LMYBNYXTVPABSX-QWRGUYRKSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001177269636 820501546 /nfs/dbraw/zinc/50/15/46/820501546.db2.gz TVZSRPFSZLHUDT-LLVKDONJSA-N 1 0 292.401 -0.282 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001177272991 820501873 /nfs/dbraw/zinc/50/18/73/820501873.db2.gz DAJSRGFVJDFEQC-ZJUUUORDSA-N 1 0 257.334 -0.453 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177415070 820514373 /nfs/dbraw/zinc/51/43/73/820514373.db2.gz MLHJJEDPLFHMPD-GFCCVEGCSA-N 1 0 291.355 -0.883 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177415074 820514444 /nfs/dbraw/zinc/51/44/44/820514444.db2.gz MLHJJEDPLFHMPD-LBPRGKRZSA-N 1 0 291.355 -0.883 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001177441287 820519220 /nfs/dbraw/zinc/51/92/20/820519220.db2.gz ZIHVAQJCZJRLJB-JTQLQIEISA-N 1 0 252.318 -0.741 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)c1nonc1C ZINC001177443918 820521146 /nfs/dbraw/zinc/52/11/46/820521146.db2.gz TYGAVMSCMYVYBD-UHFFFAOYSA-N 1 0 281.316 -0.610 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001177455238 820522514 /nfs/dbraw/zinc/52/25/14/820522514.db2.gz SQODKHPYCNJDJF-CYBMUJFWSA-N 1 0 295.383 -0.209 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001177528988 820524704 /nfs/dbraw/zinc/52/47/04/820524704.db2.gz UIRPKAOZKZLWCK-LLVKDONJSA-N 1 0 253.346 -0.137 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@H](C)N1CCOCC1 ZINC001177569986 820526312 /nfs/dbraw/zinc/52/63/12/820526312.db2.gz CNPXDEQDXWNQSL-AWEZNQCLSA-N 1 0 297.399 -0.547 20 30 CBEDRO C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177597370 820527367 /nfs/dbraw/zinc/52/73/67/820527367.db2.gz YJGYMTXXDQLZAP-SECBINFHSA-N 1 0 287.747 -0.112 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177600349 820527520 /nfs/dbraw/zinc/52/75/20/820527520.db2.gz BQLWMIQFCQMXOW-JTQLQIEISA-N 1 0 265.313 -0.842 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177601348 820527872 /nfs/dbraw/zinc/52/78/72/820527872.db2.gz UIEPOVYWQXIYJM-SNVBAGLBSA-N 1 0 265.313 -0.842 20 30 CBEDRO [NH3+]CCN(CCNC(=O)C#Cc1cccnc1)N(O)N=O ZINC001177779667 820538633 /nfs/dbraw/zinc/53/86/33/820538633.db2.gz FSKFDSPGNCIONB-UHFFFAOYSA-N 1 0 292.299 -0.902 20 30 CBEDRO CCOC(=O)CN(CC[NH3+])C(=O)C#Cc1ccccn1 ZINC001177806182 820540030 /nfs/dbraw/zinc/54/00/30/820540030.db2.gz YEDSLWLDPHQIEO-UHFFFAOYSA-N 1 0 275.308 -0.217 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)Cn1cnnn1 ZINC001177877964 820546598 /nfs/dbraw/zinc/54/65/98/820546598.db2.gz WFWFSMGHWRCJIV-UHFFFAOYSA-N 1 0 264.333 -0.428 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC001177982602 820551571 /nfs/dbraw/zinc/55/15/71/820551571.db2.gz DKDXSOHKBILQPG-WOPDTQHZSA-N 1 0 283.372 -0.098 20 30 CBEDRO CO[C@H](C)C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001177937116 820551759 /nfs/dbraw/zinc/55/17/59/820551759.db2.gz GKDQVZZTMVEEER-GFCCVEGCSA-N 1 0 298.387 -0.073 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178051950 820556914 /nfs/dbraw/zinc/55/69/14/820556914.db2.gz AHVQPSBJRDFIPZ-JTQLQIEISA-N 1 0 297.359 -0.393 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC001178062449 820557232 /nfs/dbraw/zinc/55/72/32/820557232.db2.gz PSCKFOBNZKLIHP-AVGNSLFASA-N 1 0 293.367 -0.506 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCO1 ZINC001178065334 820558965 /nfs/dbraw/zinc/55/89/65/820558965.db2.gz ADOXVSRMNNJJQP-SRVKXCTJSA-N 1 0 294.355 -0.616 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1C ZINC001178070328 820559341 /nfs/dbraw/zinc/55/93/41/820559341.db2.gz WSLDNQDCESMDPO-NHCYSSNCSA-N 1 0 251.330 -0.277 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C ZINC001178257465 820570484 /nfs/dbraw/zinc/57/04/84/820570484.db2.gz JHCFPEQFUIKLNJ-XQQFMLRXSA-N 1 0 293.367 -0.649 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001178332640 820574689 /nfs/dbraw/zinc/57/46/89/820574689.db2.gz YNDOGAODGCOWPI-STQMWFEESA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001178332415 820575286 /nfs/dbraw/zinc/57/52/86/820575286.db2.gz SOQIOGWEIVHNJG-DCAQKATOSA-N 1 0 269.345 -0.358 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346285 820576740 /nfs/dbraw/zinc/57/67/40/820576740.db2.gz MFDYOPGEEXNVRT-SDDRHHMPSA-N 1 0 263.341 -0.133 20 30 CBEDRO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001178366460 820578966 /nfs/dbraw/zinc/57/89/66/820578966.db2.gz HAVPOABOYYUSRC-VWYCJHECSA-N 1 0 266.345 -0.139 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)[C@@H]1COC(=O)N1 ZINC001178368969 820579424 /nfs/dbraw/zinc/57/94/24/820579424.db2.gz MHQABWPKQILPPM-NSHDSACASA-N 1 0 267.329 -0.006 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178396098 820580653 /nfs/dbraw/zinc/58/06/53/820580653.db2.gz SRAXYCXQEBVRCU-VWYCJHECSA-N 1 0 296.371 -0.869 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178547859 820590749 /nfs/dbraw/zinc/59/07/49/820590749.db2.gz ICBFCQIBMRYJTI-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC001178648543 820593475 /nfs/dbraw/zinc/59/34/75/820593475.db2.gz GAQZHKRNKGKQLX-UBHSHLNASA-N 1 0 280.368 -0.014 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)[C@@H]1C ZINC001178684680 820595351 /nfs/dbraw/zinc/59/53/51/820595351.db2.gz FYARKLSOXKZLJA-XQQFMLRXSA-N 1 0 295.383 -0.131 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001178681448 820595628 /nfs/dbraw/zinc/59/56/28/820595628.db2.gz FXZNAUWRWAWRGH-SRVKXCTJSA-N 1 0 281.356 -0.521 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)[C@H]1C ZINC001178753115 820598470 /nfs/dbraw/zinc/59/84/70/820598470.db2.gz CYGYKCHZWSEORR-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@H]1C ZINC001178821921 820603383 /nfs/dbraw/zinc/60/33/83/820603383.db2.gz CZAWAQYDAMIUEG-QWRGUYRKSA-N 1 0 289.401 -0.357 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178849878 820604203 /nfs/dbraw/zinc/60/42/03/820604203.db2.gz RDUOOYQENTWAGX-QWRGUYRKSA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188693910 823711883 /nfs/dbraw/zinc/71/18/83/823711883.db2.gz TYYBHWROVAPPNA-GFCCVEGCSA-N 1 0 251.330 -0.322 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001179021956 820614939 /nfs/dbraw/zinc/61/49/39/820614939.db2.gz GYXXEQOWTVMEMD-RYUDHWBXSA-N 1 0 291.355 -0.816 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H]1C ZINC001179036780 820618835 /nfs/dbraw/zinc/61/88/35/820618835.db2.gz HAXSWKOTRIHJSF-UWVGGRQHSA-N 1 0 287.310 -0.030 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300762 820623150 /nfs/dbraw/zinc/62/31/50/820623150.db2.gz XJTBHPMMZGDNCP-TUAOUCFPSA-N 1 0 263.341 -0.275 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300844 820623568 /nfs/dbraw/zinc/62/35/68/820623568.db2.gz ZVYYVDNYRVFCPB-SRVKXCTJSA-N 1 0 263.341 -0.275 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179328046 820625918 /nfs/dbraw/zinc/62/59/18/820625918.db2.gz UQGFVQUVYSNHHL-QWRGUYRKSA-N 1 0 294.359 -0.395 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179332289 820625939 /nfs/dbraw/zinc/62/59/39/820625939.db2.gz KDJGOIYIVOIHAU-UWVGGRQHSA-N 1 0 264.333 -0.021 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431279 820626962 /nfs/dbraw/zinc/62/69/62/820626962.db2.gz 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/nfs/dbraw/zinc/86/80/68/825868068.db2.gz SAZNCIWBTWLOJX-YPMHNXCESA-N 1 0 254.330 -0.238 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]C1CCN(CC(=O)NC)CC1 ZINC001252578168 825876365 /nfs/dbraw/zinc/87/63/65/825876365.db2.gz CAIUZFDMJFZPMU-CYBMUJFWSA-N 1 0 255.362 -0.277 20 30 CBEDRO C=CCOC[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001252466922 825868997 /nfs/dbraw/zinc/86/89/97/825868997.db2.gz TZKOOHJXOSCRLM-KBPBESRZSA-N 1 0 270.373 -0.044 20 30 CBEDRO C=CCOC[C@H](O)CN1CCO[C@H](CC(=O)OC)C1 ZINC001252468029 825869010 /nfs/dbraw/zinc/86/90/10/825869010.db2.gz JEVSSUCJVHFZMD-VXGBXAGGSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001252466923 825869931 /nfs/dbraw/zinc/86/99/31/825869931.db2.gz TZKOOHJXOSCRLM-KGLIPLIRSA-N 1 0 270.373 -0.044 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001252485046 825870537 /nfs/dbraw/zinc/87/05/37/825870537.db2.gz AJJJXKBHXILSHH-GMTAPVOTSA-N 1 0 263.359 -0.285 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001252485041 825870749 /nfs/dbraw/zinc/87/07/49/825870749.db2.gz AJJJXKBHXILSHH-DCAQKATOSA-N 1 0 263.359 -0.285 20 30 CBEDRO C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252473973 825870866 /nfs/dbraw/zinc/87/08/66/825870866.db2.gz UBVUZCLATTVRFW-KGLIPLIRSA-N 1 0 299.415 -0.308 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001252490505 825872072 /nfs/dbraw/zinc/87/20/72/825872072.db2.gz IRSSUWODDFWFGJ-WDEREUQCSA-N 1 0 278.374 -0.827 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001252490475 825872082 /nfs/dbraw/zinc/87/20/82/825872082.db2.gz AEVNVSCALSQETF-CABZTGNLSA-N 1 0 256.302 -0.665 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccc(O)cc1)C(O)O ZINC001252491698 825872113 /nfs/dbraw/zinc/87/21/13/825872113.db2.gz IIQIEFKMULNPEA-KBPBESRZSA-N 1 0 297.351 -0.233 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001252490500 825872161 /nfs/dbraw/zinc/87/21/61/825872161.db2.gz IRSSUWODDFWFGJ-GHMZBOCLSA-N 1 0 278.374 -0.827 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@H]1CCOC[C@H]1C(=O)OC ZINC001252496591 825873698 /nfs/dbraw/zinc/87/36/98/825873698.db2.gz AIQQPEVTEUZGPR-UTUOFQBUSA-N 1 0 273.329 -0.282 20 30 CBEDRO C=CCOC[C@@H](O)CNC1(C(=O)OC)CC[NH+](C)CC1 ZINC001252493669 825873817 /nfs/dbraw/zinc/87/38/17/825873817.db2.gz RQVFROJVVTZFLE-LBPRGKRZSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=C[C@@](C)(O)C[N@H+]1CC[C@H]2O[C@H](C(=O)NCCOC)C[C@H]21 ZINC001252553077 825874297 /nfs/dbraw/zinc/87/42/97/825874297.db2.gz RDJGWYBZHBUYJD-GUIRCDHDSA-N 1 0 298.383 -0.082 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252586195 825876624 /nfs/dbraw/zinc/87/66/24/825876624.db2.gz YLQZUUTZQKXXMP-OUJBWJOFSA-N 1 0 271.361 -0.472 20 30 CBEDRO C#CCCN1CCC[C@@H]([NH2+]C[C@H](O)COC)C1=O ZINC001252829192 825892561 /nfs/dbraw/zinc/89/25/61/825892561.db2.gz JXUQDWKJPIVTTC-NWDGAFQWSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOCCOCC[NH2+]CC1(O)CCOCC1 ZINC001252976033 825897367 /nfs/dbraw/zinc/89/73/67/825897367.db2.gz UJZDDBOEFPLLOT-UHFFFAOYSA-N 1 0 257.330 -0.216 20 30 CBEDRO CCOC(=O)[C@H](C#N)NC[C@H](O)C[NH+](CC)CC ZINC001253209470 825905190 /nfs/dbraw/zinc/90/51/90/825905190.db2.gz FOHCKHGEQGPBKC-QWRGUYRKSA-N 1 0 257.334 -0.266 20 30 CBEDRO C#CCOCCOCCNC[C@@H](O)C[NH+](CC)CC ZINC001253213050 825906691 /nfs/dbraw/zinc/90/66/91/825906691.db2.gz KTOYQEIZAHGBRE-CQSZACIVSA-N 1 0 272.389 -0.055 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC(=O)N(C)C ZINC001253583258 825917381 /nfs/dbraw/zinc/91/73/81/825917381.db2.gz ZLSRKJQFUSOEOQ-WOPDTQHZSA-N 1 0 281.356 -0.703 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 ZINC001253580141 825917526 /nfs/dbraw/zinc/91/75/26/825917526.db2.gz ABRJDRGGKJMRKP-KGLIPLIRSA-N 1 0 284.356 -0.517 20 30 CBEDRO C=C[C@@H](O)C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001253588451 825917920 /nfs/dbraw/zinc/91/79/20/825917920.db2.gz WLYHOFPWAKVHJW-GFCCVEGCSA-N 1 0 254.330 -0.144 20 30 CBEDRO C=C[C@@H](O)C[NH+]1CCN(c2ncc(O)cn2)CC1 ZINC001253586710 825918385 /nfs/dbraw/zinc/91/83/85/825918385.db2.gz QKHFPTGPEJMZNX-SNVBAGLBSA-N 1 0 250.302 -0.149 20 30 CBEDRO C=C[C@H](O)C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O ZINC001253610552 825918792 /nfs/dbraw/zinc/91/87/92/825918792.db2.gz UJXYODGFJBUWMS-IUCAKERBSA-N 1 0 258.318 -0.291 20 30 CBEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)nn1 ZINC001253606096 825919320 /nfs/dbraw/zinc/91/93/20/825919320.db2.gz ZNSIKKCUQBNPII-GFCCVEGCSA-N 1 0 264.329 -0.050 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCOCCOCCOCCO ZINC001253601039 825919809 /nfs/dbraw/zinc/91/98/09/825919809.db2.gz KAKUOVKSGROCRA-LBPRGKRZSA-N 1 0 263.334 -0.835 20 30 CBEDRO C#CCCN1CCC[C@H]([NH2+]C[C@@H](O)CC(=O)OCC)C1=O ZINC001253810540 825933333 /nfs/dbraw/zinc/93/33/33/825933333.db2.gz GLNSHUWTBBLJTJ-STQMWFEESA-N 1 0 296.367 -0.096 20 30 CBEDRO C#CC[S@](=O)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC001254060435 825939628 /nfs/dbraw/zinc/93/96/28/825939628.db2.gz RSHSHUPESDJREN-BTDLBPIBSA-N 1 0 252.343 -0.088 20 30 CBEDRO C#CCN(CC#C)Cc1cn(C[C@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC001254067235 825939670 /nfs/dbraw/zinc/93/96/70/825939670.db2.gz QOCGOJXAMKTNNV-OAHLLOKOSA-N 1 0 299.378 -0.275 20 30 CBEDRO C#CCOCCOCCOCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001254061485 825940096 /nfs/dbraw/zinc/94/00/96/825940096.db2.gz MALFWXIAPCKVQC-AWEZNQCLSA-N 1 0 294.355 -0.005 20 30 CBEDRO C#CCOCCOCCOCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001254061487 825940194 /nfs/dbraw/zinc/94/01/94/825940194.db2.gz MALFWXIAPCKVQC-CQSZACIVSA-N 1 0 294.355 -0.005 20 30 CBEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCN(CCO)CCO)C1 ZINC001254637652 825966800 /nfs/dbraw/zinc/96/68/00/825966800.db2.gz SZPFHMQIAGSMSE-QWHCGFSZSA-N 1 0 255.362 -0.055 20 30 CBEDRO CCOC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254639572 825967114 /nfs/dbraw/zinc/96/71/14/825967114.db2.gz WHFSIGOORDVTQZ-ZJUUUORDSA-N 1 0 253.302 -0.052 20 30 CBEDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254649193 825966836 /nfs/dbraw/zinc/96/68/36/825966836.db2.gz QPODWQKYTGIXNH-LPEHRKFASA-N 1 0 253.302 -0.054 20 30 CBEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1CCN(C)CC1 ZINC001254685617 825968469 /nfs/dbraw/zinc/96/84/69/825968469.db2.gz LSNVGAGMOPWLCB-ZDUSSCGKSA-N 1 0 293.415 -0.274 20 30 CBEDRO C#CCN1CC[NH+]([C@@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256342603 826015104 /nfs/dbraw/zinc/01/51/04/826015104.db2.gz HXSRFLPEZPSSHE-AWEZNQCLSA-N 1 0 279.384 -0.125 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCC(=O)NC1CC1 ZINC001256578940 826027293 /nfs/dbraw/zinc/02/72/93/826027293.db2.gz FOFDLOFZELGMKM-UHFFFAOYSA-N 1 0 252.318 -0.871 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001256585180 826027523 /nfs/dbraw/zinc/02/75/23/826027523.db2.gz NDZKNOLXPLNJGH-GDNZZTSVSA-N 1 0 251.330 -0.569 20 30 CBEDRO CCCC[C@H](CC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257409532 826047414 /nfs/dbraw/zinc/04/74/14/826047414.db2.gz BZVXKKGUQJANGP-KIJLLGNVSA-N 1 0 277.361 -0.813 20 30 CBEDRO CCCC[C@@H](CC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257409533 826047500 /nfs/dbraw/zinc/04/75/00/826047500.db2.gz BZVXKKGUQJANGP-NZEXEKPDSA-N 1 0 277.361 -0.813 20 30 CBEDRO CC#CCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC001257473284 826049124 /nfs/dbraw/zinc/04/91/24/826049124.db2.gz UKUPMFUCHLWOIP-LLVKDONJSA-N 1 0 253.346 -0.028 20 30 CBEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001257472785 826049374 /nfs/dbraw/zinc/04/93/74/826049374.db2.gz OCLRELGGONIUCH-WDEREUQCSA-N 1 0 282.344 -0.806 20 30 CBEDRO C[C@H]1CC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](C)C1 ZINC001258153004 826057834 /nfs/dbraw/zinc/05/78/34/826057834.db2.gz DUNYHMVXHJRPDE-XCZVWATMSA-N 1 0 289.372 -0.957 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCN(C)C3=O)C2)C1 ZINC001258462382 826066193 /nfs/dbraw/zinc/06/61/93/826066193.db2.gz KJPVDIGNQZHMMF-LBPRGKRZSA-N 1 0 275.352 -0.368 20 30 CBEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258781050 826069006 /nfs/dbraw/zinc/06/90/06/826069006.db2.gz UDXKVONQMXUZIR-QEHJDLSMSA-N 1 0 291.388 -0.567 20 30 CBEDRO CCCC[C@@H](CCC)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258755198 826070593 /nfs/dbraw/zinc/07/05/93/826070593.db2.gz HCPNGTARYDUZFY-XVIXHAIJSA-N 1 0 291.388 -0.423 20 30 CBEDRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001261342573 826506887 /nfs/dbraw/zinc/50/68/87/826506887.db2.gz CSNFHRDXCSJQJV-GFCCVEGCSA-N 1 0 296.371 -0.464 20 30 CBEDRO CN(C)C(=O)NCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001261424773 826511095 /nfs/dbraw/zinc/51/10/95/826511095.db2.gz DNZQJWKHODMYCN-SNVBAGLBSA-N 1 0 269.349 -0.263 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001261425327 826511142 /nfs/dbraw/zinc/51/11/42/826511142.db2.gz VWPUOALGXIQRJH-QWHCGFSZSA-N 1 0 293.367 -0.697 20 30 CBEDRO C=CCn1cc(CNC(=O)C(=O)NCC[C@@H](C)[NH2+]C)nn1 ZINC001261435054 826511343 /nfs/dbraw/zinc/51/13/43/826511343.db2.gz HRWLHMBVXNYOQE-SNVBAGLBSA-N 1 0 294.359 -0.806 20 30 CBEDRO C[C@H](C[NH2+]C1CCN(CC#N)CC1)S(C)(=O)=O ZINC001261435897 826512105 /nfs/dbraw/zinc/51/21/05/826512105.db2.gz JMJUNKYGHOLRKE-SNVBAGLBSA-N 1 0 259.375 -0.003 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCc1ccnn1C ZINC001261436991 826512505 /nfs/dbraw/zinc/51/25/05/826512505.db2.gz QTGYRDSTKZXQRU-ZDUSSCGKSA-N 1 0 265.361 -0.241 20 30 CBEDRO CC(C)[C@@H]([NH3+])C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001261457707 826516264 /nfs/dbraw/zinc/51/62/64/826516264.db2.gz VLJVKGQRVMPQHN-QGDAWOFLSA-N 1 0 280.328 -0.388 20 30 CBEDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N(C)CCC#N)C1 ZINC001261480944 826521161 /nfs/dbraw/zinc/52/11/61/826521161.db2.gz GBDILQVXKFNPSS-VHSXEESVSA-N 1 0 260.363 -0.254 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)CC(F)F ZINC001261483026 826522173 /nfs/dbraw/zinc/52/21/73/826522173.db2.gz GFJRYKDBOFAICC-NXEZZACHSA-N 1 0 265.304 -0.202 20 30 CBEDRO C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[NH2+]1 ZINC001261501990 826527448 /nfs/dbraw/zinc/52/74/48/826527448.db2.gz VNKNTTUOSQOFKM-YAWLZAOSSA-N 1 0 292.339 -0.277 20 30 CBEDRO C[NH2+]CCN(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC001261502682 826528110 /nfs/dbraw/zinc/52/81/10/826528110.db2.gz VMGXXRGNWILCQB-SEYXRHQNSA-N 1 0 280.328 -0.419 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001261525843 826532898 /nfs/dbraw/zinc/53/28/98/826532898.db2.gz QHTMTSJDKYWENV-FZMZJTMJSA-N 1 0 263.341 -0.335 20 30 CBEDRO CNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cn1 ZINC001261552547 826538847 /nfs/dbraw/zinc/53/88/47/826538847.db2.gz VIKDVQWKICPVAU-NSHDSACASA-N 1 0 292.343 -0.021 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001261633733 826549584 /nfs/dbraw/zinc/54/95/84/826549584.db2.gz NTDOCPLBZPBOAM-JTQLQIEISA-N 1 0 255.318 -0.827 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001261627325 826547651 /nfs/dbraw/zinc/54/76/51/826547651.db2.gz UQOGHPVXOGDRKA-OAHLLOKOSA-N 1 0 295.383 -0.093 20 30 CBEDRO C=CCN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H](C)COC ZINC001261633788 826549190 /nfs/dbraw/zinc/54/91/90/826549190.db2.gz PQDBNRZHGPJATJ-NEPJUHHUSA-N 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C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001268065974 827251838 /nfs/dbraw/zinc/25/18/38/827251838.db2.gz JYXJDXUAAXADMD-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001268068609 827252129 /nfs/dbraw/zinc/25/21/29/827252129.db2.gz MUBUKFLIIYXGNY-KGLIPLIRSA-N 1 0 281.400 -0.097 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001268073609 827253665 /nfs/dbraw/zinc/25/36/65/827253665.db2.gz XRXTURCVMDAWFM-LBPRGKRZSA-N 1 0 293.367 -0.015 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001268078070 827253842 /nfs/dbraw/zinc/25/38/42/827253842.db2.gz BRZXEBDICHPVIG-GMTAPVOTSA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001268082051 827254525 /nfs/dbraw/zinc/25/45/25/827254525.db2.gz TUFBWWAEXVKRNA-SMDDNHRTSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1cnon1 ZINC001268090059 827256444 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C#CC[NH2+][C@@H](CNC(=O)CC[C@H]1NC(=O)NC1=O)C(C)C ZINC001268226324 827263459 /nfs/dbraw/zinc/26/34/59/827263459.db2.gz HTUSYCJORBHHIW-MNOVXSKESA-N 1 0 294.355 -0.662 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001268247697 827269880 /nfs/dbraw/zinc/26/98/80/827269880.db2.gz NUFNRNQHUBNNNL-JTQLQIEISA-N 1 0 252.318 -0.919 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001268243974 827270749 /nfs/dbraw/zinc/27/07/49/827270749.db2.gz ULOWCHPSWIWQBN-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001268244687 827270914 /nfs/dbraw/zinc/27/09/14/827270914.db2.gz FYDRURYNGMZBMW-LLVKDONJSA-N 1 0 251.330 -0.464 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001268254441 827273480 /nfs/dbraw/zinc/27/34/80/827273480.db2.gz RBYKFRCEASBEIE-LBPRGKRZSA-N 1 0 280.372 -0.057 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001268296704 827281490 /nfs/dbraw/zinc/28/14/90/827281490.db2.gz DIJNHKQTWLJUCH-NWDGAFQWSA-N 1 0 254.330 -0.497 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncs1 ZINC001268299888 827283754 /nfs/dbraw/zinc/28/37/54/827283754.db2.gz NWUQMVHLPLRFJW-SNVBAGLBSA-N 1 0 283.353 -0.527 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001268299365 827284267 /nfs/dbraw/zinc/28/42/67/827284267.db2.gz QEPORGAOGUCWIM-WDEREUQCSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001268301363 827285940 /nfs/dbraw/zinc/28/59/40/827285940.db2.gz SWXRFYLAPAHSGT-LBPRGKRZSA-N 1 0 266.345 -0.047 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccnn1C ZINC001268302271 827286082 /nfs/dbraw/zinc/28/60/82/827286082.db2.gz WPIBLWZQGQFFLO-SNVBAGLBSA-N 1 0 252.318 -0.324 20 30 CBEDRO CCCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001268303503 827287004 /nfs/dbraw/zinc/28/70/04/827287004.db2.gz AQLLHDOLNUSTIK-YPMHNXCESA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1coc(C)c1 ZINC001268303435 827287267 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C=CCCC[NH2+]C[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001268306134 827289759 /nfs/dbraw/zinc/28/97/59/827289759.db2.gz LRTQTFHLUXZGNT-LLVKDONJSA-N 1 0 290.385 -0.936 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncc(OC)cc1F ZINC001268308417 827291309 /nfs/dbraw/zinc/29/13/09/827291309.db2.gz ZTNSZMVHZARCDS-SECBINFHSA-N 1 0 281.287 -0.457 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cc2n(n1)CCCC2 ZINC001268312597 827292756 /nfs/dbraw/zinc/29/27/56/827292756.db2.gz YYWZZXITMIOZBW-CYBMUJFWSA-N 1 0 290.367 -0.077 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC(C)(C)CO1 ZINC001268314953 827293612 /nfs/dbraw/zinc/29/36/12/827293612.db2.gz RDMOIESLADIQTA-RYUDHWBXSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COc2ccccc2C1 ZINC001268314252 827293624 /nfs/dbraw/zinc/29/36/24/827293624.db2.gz YFLUHOMIMRQTTB-KGLIPLIRSA-N 1 0 288.347 -0.062 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCCN1CC ZINC001268313409 827293973 /nfs/dbraw/zinc/29/39/73/827293973.db2.gz DBHBJTVDGPGBIN-CHWSQXEVSA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1nnc2ccccc2n1 ZINC001268313507 827294040 /nfs/dbraw/zinc/29/40/40/827294040.db2.gz DIHDTAARWWEBLX-SNVBAGLBSA-N 1 0 287.323 -0.109 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(COC)o1 ZINC001268313821 827294049 /nfs/dbraw/zinc/29/40/49/827294049.db2.gz STSWZPDSVHLIDY-JTQLQIEISA-N 1 0 266.297 -0.261 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001268313400 827294686 /nfs/dbraw/zinc/29/46/86/827294686.db2.gz CXAAVMLCAJVZNC-QWRGUYRKSA-N 1 0 269.345 -0.845 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001268315878 827295132 /nfs/dbraw/zinc/29/51/32/827295132.db2.gz ZGSXQEYFJDHPON-LLVKDONJSA-N 1 0 283.303 -0.516 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001268317390 827295688 /nfs/dbraw/zinc/29/56/88/827295688.db2.gz XKWQWPYUPGMDFI-OLZOCXBDSA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001268317393 827295874 /nfs/dbraw/zinc/29/58/74/827295874.db2.gz XKWQWPYUPGMDFI-QWHCGFSZSA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)nn(C)c1C ZINC001268315925 827295919 /nfs/dbraw/zinc/29/59/19/827295919.db2.gz FJKNKUKDNRVOFC-LBPRGKRZSA-N 1 0 278.356 -0.259 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001268317395 827295991 /nfs/dbraw/zinc/29/59/91/827295991.db2.gz XKWQWPYUPGMDFI-STQMWFEESA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OCC)C1CCOCC1 ZINC001268318858 827296462 /nfs/dbraw/zinc/29/64/62/827296462.db2.gz RUTTUYRYBXYCOF-KGLIPLIRSA-N 1 0 298.383 -0.482 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001268317631 827296564 /nfs/dbraw/zinc/29/65/64/827296564.db2.gz RDNCKEOOZSGJLY-SNVBAGLBSA-N 1 0 278.312 -0.887 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001268317760 827297162 /nfs/dbraw/zinc/29/71/62/827297162.db2.gz ZEXFXOQKENDILM-RYUDHWBXSA-N 1 0 276.340 -0.855 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(c2cc(C)no2)CC1 ZINC001268318855 827297269 /nfs/dbraw/zinc/29/72/69/827297269.db2.gz CSFZJLYVBACEOB-LLVKDONJSA-N 1 0 277.324 -0.285 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001268322894 827299279 /nfs/dbraw/zinc/29/92/79/827299279.db2.gz GETYLGHZJZFHQK-CHWSQXEVSA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001268322447 827299765 /nfs/dbraw/zinc/29/97/65/827299765.db2.gz DXZWKUOPAUECPE-CYBMUJFWSA-N 1 0 295.383 -0.665 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C(C)(F)F ZINC001268323193 827299684 /nfs/dbraw/zinc/29/96/84/827299684.db2.gz WZEABODBUXFBRJ-MNOVXSKESA-N 1 0 292.326 -0.006 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C)cc1=O ZINC001268324711 827301149 /nfs/dbraw/zinc/30/11/49/827301149.db2.gz PSCXNCIBIMSPCJ-GFCCVEGCSA-N 1 0 279.340 -0.591 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CC)nc1C ZINC001268324078 827301807 /nfs/dbraw/zinc/30/18/07/827301807.db2.gz LIYGPQRZNJPIST-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001268324513 827302091 /nfs/dbraw/zinc/30/20/91/827302091.db2.gz VMECXJJEEXYJEQ-WDEREUQCSA-N 1 0 293.371 -0.133 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)CNC(C)=O ZINC001268328412 827302276 /nfs/dbraw/zinc/30/22/76/827302276.db2.gz NTLGSBVGKDPPQY-GFCCVEGCSA-N 1 0 285.388 -0.209 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](OC)C(F)(F)F ZINC001268327268 827302447 /nfs/dbraw/zinc/30/24/47/827302447.db2.gz INKLZBRBZATLOW-RKDXNWHRSA-N 1 0 282.262 -0.346 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](OC)C(F)(F)F ZINC001268327267 827303457 /nfs/dbraw/zinc/30/34/57/827303457.db2.gz INKLZBRBZATLOW-IUCAKERBSA-N 1 0 282.262 -0.346 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001268326439 827303736 /nfs/dbraw/zinc/30/37/36/827303736.db2.gz DTLBIYQJZOUZKL-QMMMGPOBSA-N 1 0 281.337 -0.840 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCCOC)nc1 ZINC001268331983 827306607 /nfs/dbraw/zinc/30/66/07/827306607.db2.gz WMPAVPNMNSGFCU-ZDUSSCGKSA-N 1 0 291.351 -0.220 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001268333892 827306741 /nfs/dbraw/zinc/30/67/41/827306741.db2.gz HSUIUPQHBQYKHB-NWDGAFQWSA-N 1 0 269.345 -0.750 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1[nH]nc2ccccc21 ZINC001268332769 827306987 /nfs/dbraw/zinc/30/69/87/827306987.db2.gz PKQKXWYVYIZFGX-JTQLQIEISA-N 1 0 272.308 -0.124 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(C)nc1 ZINC001268334998 827307871 /nfs/dbraw/zinc/30/78/71/827307871.db2.gz IERNQGICGRNMLS-CYBMUJFWSA-N 1 0 261.325 -0.368 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N1CCCC1=O ZINC001268336651 827309876 /nfs/dbraw/zinc/30/98/76/827309876.db2.gz FPIWJFDYUQEOGU-OCCSQVGLSA-N 1 0 295.383 -0.667 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001268340145 827311907 /nfs/dbraw/zinc/31/19/07/827311907.db2.gz ZDHRONAELUUIHK-YPMHNXCESA-N 1 0 278.356 -0.386 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cocn1 ZINC001268351148 827312377 /nfs/dbraw/zinc/31/23/77/827312377.db2.gz UYYMHYIXPLQXTQ-JTQLQIEISA-N 1 0 278.312 -0.478 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cnsn1 ZINC001268347210 827312791 /nfs/dbraw/zinc/31/27/91/827312791.db2.gz ARIMSCWIPHZSAV-MRVPVSSYSA-N 1 0 296.356 -0.724 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001268345714 827313133 /nfs/dbraw/zinc/31/31/33/827313133.db2.gz QOCBGBJFGINAON-RYUDHWBXSA-N 1 0 299.371 -0.812 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001268355722 827314724 /nfs/dbraw/zinc/31/47/24/827314724.db2.gz ZIZWQEXFLJYBEB-CHWSQXEVSA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)c1ccon1 ZINC001268352633 827315259 /nfs/dbraw/zinc/31/52/59/827315259.db2.gz SIXVSQSXAOREIS-WDEREUQCSA-N 1 0 292.339 -0.090 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001268364407 827315457 /nfs/dbraw/zinc/31/54/57/827315457.db2.gz CQTGZVCLWRUBRN-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C#CC1CC1 ZINC001268364171 827316042 /nfs/dbraw/zinc/31/60/42/827316042.db2.gz YYEMIIZJIYYFSK-LBPRGKRZSA-N 1 0 292.383 -0.091 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001268380844 827319580 /nfs/dbraw/zinc/31/95/80/827319580.db2.gz AWHTYGSAMCWXHI-QWRGUYRKSA-N 1 0 272.370 -0.461 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268409019 827323781 /nfs/dbraw/zinc/32/37/81/827323781.db2.gz RRNAIUUFWHEAKJ-VIFPVBQESA-N 1 0 265.313 -0.843 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001268402572 827323891 /nfs/dbraw/zinc/32/38/91/827323891.db2.gz TVKNLMCTFPWPLN-NWDGAFQWSA-N 1 0 290.371 -0.257 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1nnc[nH]1 ZINC001268408665 827323943 /nfs/dbraw/zinc/32/39/43/827323943.db2.gz CHMWRHZVEPGTKF-VIFPVBQESA-N 1 0 280.332 -0.795 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001268422680 827324948 /nfs/dbraw/zinc/32/49/48/827324948.db2.gz BFCBQPBYZULNJY-WDEREUQCSA-N 1 0 272.370 -0.319 20 30 CBEDRO C=CCCC(=O)N(CC)CC[NH2+]CC(=O)NC(=O)NC ZINC001268441633 827329971 /nfs/dbraw/zinc/32/99/71/827329971.db2.gz YMVULWYJMZNPLU-UHFFFAOYSA-N 1 0 284.360 -0.154 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]C[C@H](C)O ZINC001268449646 827331535 /nfs/dbraw/zinc/33/15/35/827331535.db2.gz KQDSEQDUMUMFEW-NWDGAFQWSA-N 1 0 256.346 -0.156 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)C#CC1CC1 ZINC001268448751 827332984 /nfs/dbraw/zinc/33/29/84/827332984.db2.gz ATTWJEJLTPBRPP-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](C)O ZINC001268459673 827335021 /nfs/dbraw/zinc/33/50/21/827335021.db2.gz ZOWCQRAXAWJFRF-KGLIPLIRSA-N 1 0 281.400 -0.097 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001268461929 827336225 /nfs/dbraw/zinc/33/62/25/827336225.db2.gz CNUHGUWFBSWKDW-GFCCVEGCSA-N 1 0 286.397 -0.118 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)CCn1ncn(C)c1=O ZINC001268468451 827336639 /nfs/dbraw/zinc/33/66/39/827336639.db2.gz OFKKDMYFCBSIEV-UHFFFAOYSA-N 1 0 279.344 -0.957 20 30 CBEDRO C=CCCC[NH+]1CC(NC(=O)CCn2cnnn2)C1 ZINC001268462268 827336935 /nfs/dbraw/zinc/33/69/35/827336935.db2.gz DEKZHJCGVBVAJE-UHFFFAOYSA-N 1 0 264.333 -0.170 20 30 CBEDRO C#CCCN1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268484267 827340087 /nfs/dbraw/zinc/34/00/87/827340087.db2.gz DUMOKGHGMNRYRU-ZDUSSCGKSA-N 1 0 279.384 -0.222 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1nc(C)c[nH]1 ZINC001268485996 827340615 /nfs/dbraw/zinc/34/06/15/827340615.db2.gz YUCDSBBIWSFSKD-UHFFFAOYSA-N 1 0 291.355 -0.481 20 30 CBEDRO C#CCCN1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268484265 827340791 /nfs/dbraw/zinc/34/07/91/827340791.db2.gz DUMOKGHGMNRYRU-CYBMUJFWSA-N 1 0 279.384 -0.222 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC(=O)N1 ZINC001268492801 827341687 /nfs/dbraw/zinc/34/16/87/827341687.db2.gz OLBYEVWKJNDIGA-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)c1cn(CC(N)=O)nn1 ZINC001268499532 827344139 /nfs/dbraw/zinc/34/41/39/827344139.db2.gz MTYUAWUEDLYKRO-UHFFFAOYSA-N 1 0 294.359 -0.609 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001268497690 827345116 /nfs/dbraw/zinc/34/51/16/827345116.db2.gz HOQOKCBSABNLFE-JTQLQIEISA-N 1 0 280.328 -0.954 20 30 CBEDRO C[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001268506960 827346297 /nfs/dbraw/zinc/34/62/97/827346297.db2.gz LAZNZDHRKFNVOD-WUNPDAOYSA-N 1 0 264.329 -0.456 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC=CCNC(=O)c1ccn[nH]1 ZINC001268515193 827348695 /nfs/dbraw/zinc/34/86/95/827348695.db2.gz SGZSUMZLCZIGOJ-ZWNMCFTASA-N 1 0 289.339 -0.577 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H](C)OC ZINC001268516720 827349670 /nfs/dbraw/zinc/34/96/70/827349670.db2.gz CNOHOMUFPOULQL-GZTOBOFZSA-N 1 0 267.329 -0.967 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@H](C)OC ZINC001268517548 827349959 /nfs/dbraw/zinc/34/99/59/827349959.db2.gz KKHQWGMHGYCOEB-ITKZLYELSA-N 1 0 254.330 -0.067 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001268519595 827352217 /nfs/dbraw/zinc/35/22/17/827352217.db2.gz RBITXVCEKZAJLG-WTIVYXKASA-N 1 0 276.340 -0.454 20 30 CBEDRO CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001268521294 827353160 /nfs/dbraw/zinc/35/31/60/827353160.db2.gz NFFXSOFUNNKFOP-ARJAWSKDSA-N 1 0 289.339 -0.150 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CC(C)(C)O ZINC001268531959 827357724 /nfs/dbraw/zinc/35/77/24/827357724.db2.gz HAAAJLSUBZRZNJ-NNNHXZLVSA-N 1 0 295.383 -0.453 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C1(C)CC1 ZINC001268539663 827358737 /nfs/dbraw/zinc/35/87/37/827358737.db2.gz KVODYTLOBAMIJB-PLNGDYQASA-N 1 0 263.341 -0.202 20 30 CBEDRO O=C(C#CC1CC1)NC/C=C\C[NH2+]CCn1cncn1 ZINC001268536559 827359071 /nfs/dbraw/zinc/35/90/71/827359071.db2.gz LEQRCTQLBOJXLM-UPHRSURJSA-N 1 0 273.340 -0.047 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC1(O)CCC1 ZINC001268537324 827359460 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C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC12CC2 ZINC001268599669 827374828 /nfs/dbraw/zinc/37/48/28/827374828.db2.gz SCFIQVUQBHTCKX-AAOUONPWSA-N 1 0 275.352 -0.202 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+]CC(=O)NC)nc1 ZINC001268616692 827380549 /nfs/dbraw/zinc/38/05/49/827380549.db2.gz KFLHPCJMFVDIQE-PLNGDYQASA-N 1 0 286.335 -0.316 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C/C[NH2+]CC(=O)NC)nc1 ZINC001268616693 827381271 /nfs/dbraw/zinc/38/12/71/827381271.db2.gz KFLHPCJMFVDIQE-SNAWJCMRSA-N 1 0 286.335 -0.316 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001268630178 827381685 /nfs/dbraw/zinc/38/16/85/827381685.db2.gz GORHYHONEPNICT-SYTKJHMZSA-N 1 0 286.397 -0.048 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)Cc1nc2ncccn2n1 ZINC001268626210 827382215 /nfs/dbraw/zinc/38/22/15/827382215.db2.gz ZGSSYQCCOIFBEE-PLNGDYQASA-N 1 0 298.350 -0.048 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC ZINC001268635691 827385707 /nfs/dbraw/zinc/38/57/07/827385707.db2.gz 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CBEDRO C=CC[NH+]1CC(CNC(=O)Cc2nc3ncccn3n2)C1 ZINC001268905811 827438555 /nfs/dbraw/zinc/43/85/55/827438555.db2.gz HZKBGFZGNWZJRH-UHFFFAOYSA-N 1 0 286.339 -0.099 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)CNC(=O)c1ccccn1 ZINC001268958204 827444583 /nfs/dbraw/zinc/44/45/83/827444583.db2.gz IPGPWWQYKUFGGB-UHFFFAOYSA-N 1 0 288.351 -0.117 20 30 CBEDRO C=CCCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001269010017 827448717 /nfs/dbraw/zinc/44/87/17/827448717.db2.gz WPJJSZFVDULXMK-NSHDSACASA-N 1 0 294.355 -0.305 20 30 CBEDRO C=CC[N@H+]1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001269029677 827452032 /nfs/dbraw/zinc/45/20/32/827452032.db2.gz FKHCYUXHWHLYTJ-JTQLQIEISA-N 1 0 275.374 -0.746 20 30 CBEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001269038748 827453644 /nfs/dbraw/zinc/45/36/44/827453644.db2.gz GKOIQXRUEBMHQY-LBPRGKRZSA-N 1 0 296.371 -0.995 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001269039576 827454147 /nfs/dbraw/zinc/45/41/47/827454147.db2.gz 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C#CC[NH2+]CCN(CCO)C(=O)c1ccn(C)c1C ZINC001272250326 827773539 /nfs/dbraw/zinc/77/35/39/827773539.db2.gz AOOCAWZNFISAQU-UHFFFAOYSA-N 1 0 263.341 -0.009 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001272251453 827773733 /nfs/dbraw/zinc/77/37/33/827773733.db2.gz JQOOITBEDCNZBF-STQMWFEESA-N 1 0 268.357 -0.155 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001272281491 827776211 /nfs/dbraw/zinc/77/62/11/827776211.db2.gz RECVJBGMFOTBQQ-QWHCGFSZSA-N 1 0 298.408 -0.071 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)Cn1nccc1C ZINC001272270461 827776603 /nfs/dbraw/zinc/77/66/03/827776603.db2.gz CDWAVFGCWISIPM-UHFFFAOYSA-N 1 0 264.329 -0.765 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001272281489 827776759 /nfs/dbraw/zinc/77/67/59/827776759.db2.gz RECVJBGMFOTBQQ-CHWSQXEVSA-N 1 0 298.408 -0.071 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1Cc2cccnc2C1 ZINC001272300648 827777457 /nfs/dbraw/zinc/77/74/57/827777457.db2.gz HPGRFCFEPCTMKJ-AWEZNQCLSA-N 1 0 287.363 -0.160 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1CCC1 ZINC001272352942 827783884 /nfs/dbraw/zinc/78/38/84/827783884.db2.gz WSMOVXAQHVPADY-GFCCVEGCSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1cccs1 ZINC001272351396 827784277 /nfs/dbraw/zinc/78/42/77/827784277.db2.gz JKDUZNIXCHNNEZ-JTQLQIEISA-N 1 0 252.339 -0.010 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccco1 ZINC001272362591 827784619 /nfs/dbraw/zinc/78/46/19/827784619.db2.gz PKDXPIUIPPTWLH-LLVKDONJSA-N 1 0 250.298 -0.088 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCn1cncn1 ZINC001272360243 827785387 /nfs/dbraw/zinc/78/53/87/827785387.db2.gz BGDRCWPARKIPIF-LLVKDONJSA-N 1 0 267.333 -0.689 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)OCC ZINC001272370209 827786523 /nfs/dbraw/zinc/78/65/23/827786523.db2.gz ANDFBEAUDIKVCS-NWDGAFQWSA-N 1 0 256.346 -0.109 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001272379745 827788255 /nfs/dbraw/zinc/78/82/55/827788255.db2.gz KXAXNHVUJWCUBT-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001272380003 827788679 /nfs/dbraw/zinc/78/86/79/827788679.db2.gz LGLSDIXKYNJBKR-PWSUYJOCSA-N 1 0 262.313 -0.192 20 30 CBEDRO Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001272381815 827788987 /nfs/dbraw/zinc/78/89/87/827788987.db2.gz XAHQEZQCQNNVDB-LDYMZIIASA-N 1 0 266.301 -0.291 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001272379743 827789031 /nfs/dbraw/zinc/78/90/31/827789031.db2.gz KXAXNHVUJWCUBT-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccnn1C ZINC001272379713 827789078 /nfs/dbraw/zinc/78/90/78/827789078.db2.gz KRIGVELBYFEPCH-JTQLQIEISA-N 1 0 252.318 -0.324 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001272378240 827789135 /nfs/dbraw/zinc/78/91/35/827789135.db2.gz ADKDMTLGRXPYLY-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C[C@H](O)CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001272390046 827790340 /nfs/dbraw/zinc/79/03/40/827790340.db2.gz WKWWLZUUEZKJCE-CMPLNLGQSA-N 1 0 294.355 -0.272 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001272399612 827791805 /nfs/dbraw/zinc/79/18/05/827791805.db2.gz YYYPSWSCRBFAKV-CYBMUJFWSA-N 1 0 279.340 -0.645 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)ncn1 ZINC001272398534 827792632 /nfs/dbraw/zinc/79/26/32/827792632.db2.gz RILIIADLPBJKBL-SNVBAGLBSA-N 1 0 250.302 -0.349 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001272406952 827792797 /nfs/dbraw/zinc/79/27/97/827792797.db2.gz SQOSWEZJJFRAJV-NEPJUHHUSA-N 1 0 281.356 -0.913 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001272406880 827792958 /nfs/dbraw/zinc/79/29/58/827792958.db2.gz RLXZBYBQYZJNBL-CHWSQXEVSA-N 1 0 268.357 -0.251 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001272406883 827793159 /nfs/dbraw/zinc/79/31/59/827793159.db2.gz RLXZBYBQYZJNBL-STQMWFEESA-N 1 0 268.357 -0.251 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)/C=C(/C)CC ZINC001272406268 827793245 /nfs/dbraw/zinc/79/32/45/827793245.db2.gz HQYRZKPOZMWAKH-ZBNJQPBLSA-N 1 0 295.383 -0.453 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001272405862 827793324 /nfs/dbraw/zinc/79/33/24/827793324.db2.gz BOHWESOWAHIFGK-CYBMUJFWSA-N 1 0 278.356 -0.210 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)sn1 ZINC001272406385 827793822 /nfs/dbraw/zinc/79/38/22/827793822.db2.gz JJJPXYCRCASATM-VIFPVBQESA-N 1 0 253.327 -0.235 20 30 CBEDRO CC[C@@H](C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1)OC ZINC001272413731 827794325 /nfs/dbraw/zinc/79/43/25/827794325.db2.gz HZEMQHMCRSDLLF-STQMWFEESA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001272411257 827794500 /nfs/dbraw/zinc/79/45/00/827794500.db2.gz ZMIHTCPMGTZQSO-RYUDHWBXSA-N 1 0 280.372 -0.105 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001272413704 827794627 /nfs/dbraw/zinc/79/46/27/827794627.db2.gz HNJWBGLXECVSNU-QWHCGFSZSA-N 1 0 295.383 -0.597 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272420356 827795752 /nfs/dbraw/zinc/79/57/52/827795752.db2.gz LYPNTFRFWFGKLR-BXUZGUMPSA-N 1 0 283.372 -0.373 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001272435736 827797030 /nfs/dbraw/zinc/79/70/30/827797030.db2.gz WSOMRMCDZIKSGG-WCQYABFASA-N 1 0 290.367 -0.166 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001272434323 827797177 /nfs/dbraw/zinc/79/71/77/827797177.db2.gz DQLGDTDMVZOLMU-JTQLQIEISA-N 1 0 279.344 -0.653 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001272434770 827797487 /nfs/dbraw/zinc/79/74/87/827797487.db2.gz KAYMWNZAHJOKGN-OLZOCXBDSA-N 1 0 295.383 -0.809 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001272435765 827797636 /nfs/dbraw/zinc/79/76/36/827797636.db2.gz XCTVOQMPGMRZGE-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001272443058 827798492 /nfs/dbraw/zinc/79/84/92/827798492.db2.gz KCSOTEBXISFWQI-JTQLQIEISA-N 1 0 288.311 -0.944 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001272451022 827800101 /nfs/dbraw/zinc/80/01/01/827800101.db2.gz DKVZCHKXFDSSKT-VXGBXAGGSA-N 1 0 278.356 -0.302 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(OCC)n[nH]1 ZINC001272454199 827800713 /nfs/dbraw/zinc/80/07/13/827800713.db2.gz NVHWJYKLHDDSEN-SNVBAGLBSA-N 1 0 280.328 -0.488 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001272451407 827800768 /nfs/dbraw/zinc/80/07/68/827800768.db2.gz FKQGPJMGPXPVMV-NEPJUHHUSA-N 1 0 276.340 -0.855 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001272453028 827801145 /nfs/dbraw/zinc/80/11/45/827801145.db2.gz KAPIHPWXBOHBRI-OLZOCXBDSA-N 1 0 297.399 -0.112 20 30 CBEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNCC#N ZINC001272455732 827801391 /nfs/dbraw/zinc/80/13/91/827801391.db2.gz VIAPDJQJBMQWNC-QWRGUYRKSA-N 1 0 254.334 -0.939 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001272461171 827801797 /nfs/dbraw/zinc/80/17/97/827801797.db2.gz MBUWUIKPGBYLMH-VHSXEESVSA-N 1 0 267.333 -0.160 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001272458073 827802193 /nfs/dbraw/zinc/80/21/93/827802193.db2.gz UMIULIVADDYDPH-OLZOCXBDSA-N 1 0 277.368 -0.026 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OC)nc1 ZINC001272470124 827803746 /nfs/dbraw/zinc/80/37/46/827803746.db2.gz NBXRTBUCHVATBO-GFCCVEGCSA-N 1 0 277.324 -0.206 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)cc1 ZINC001272486912 827805089 /nfs/dbraw/zinc/80/50/89/827805089.db2.gz BEJDAFKRQHJCRL-RISCZKNCSA-N 1 0 276.336 -0.271 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1nc(C)no1 ZINC001272488347 827805373 /nfs/dbraw/zinc/80/53/73/827805373.db2.gz MWXGBBZXVCWDMH-LLVKDONJSA-N 1 0 282.344 -0.047 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCc1nccn1C ZINC001272480089 827805964 /nfs/dbraw/zinc/80/59/64/827805964.db2.gz ZIOZAUQBLORCNX-LBPRGKRZSA-N 1 0 278.356 -0.557 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001272495253 827807487 /nfs/dbraw/zinc/80/74/87/827807487.db2.gz BVHUFCCQCQNXRT-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccc(OC)cn1 ZINC001272503397 827807733 /nfs/dbraw/zinc/80/77/33/827807733.db2.gz CBBGKTNQVZWAPQ-GFCCVEGCSA-N 1 0 277.324 -0.667 20 30 CBEDRO CC(C)=C(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001272496333 827808397 /nfs/dbraw/zinc/80/83/97/827808397.db2.gz NFNQCLRZDYCNMX-GFCCVEGCSA-N 1 0 296.371 -0.561 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001272504205 827809058 /nfs/dbraw/zinc/80/90/58/827809058.db2.gz MEBJUMGOOLSCHK-RYUDHWBXSA-N 1 0 290.367 -0.460 20 30 CBEDRO C=CCCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O ZINC001272505700 827809178 /nfs/dbraw/zinc/80/91/78/827809178.db2.gz ZHBMOOXZCOZFJO-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508305 827809361 /nfs/dbraw/zinc/80/93/61/827809361.db2.gz NOHOTXKPMHCXHC-HIFRSBDPSA-N 1 0 278.352 -0.041 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+]CCCOC)c1 ZINC001272520886 827811781 /nfs/dbraw/zinc/81/17/81/827811781.db2.gz LDVWXFYSHQFGOX-AWEZNQCLSA-N 1 0 291.351 -0.220 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1(CC)CC1 ZINC001272514020 827812307 /nfs/dbraw/zinc/81/23/07/827812307.db2.gz RZMCWONJPAUBAI-NEPJUHHUSA-N 1 0 295.383 -0.619 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]C[C@H](O)COC)C1 ZINC001272521212 827812350 /nfs/dbraw/zinc/81/23/50/827812350.db2.gz OGAGZNOJVIFPTQ-NEPJUHHUSA-N 1 0 286.372 -0.583 20 30 CBEDRO C=CCN1C[C@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)OCC1=O ZINC001272523615 827813552 /nfs/dbraw/zinc/81/35/52/827813552.db2.gz BIFXWUZLWIOIQD-IUODEOHRSA-N 1 0 293.367 -0.246 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1nccc1C ZINC001272528555 827813733 /nfs/dbraw/zinc/81/37/33/827813733.db2.gz AITXYAODHUSTRK-GFCCVEGCSA-N 1 0 266.345 -0.166 20 30 CBEDRO C#CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272523466 827813905 /nfs/dbraw/zinc/81/39/05/827813905.db2.gz ABNXOIQDXKSIIK-DOMZBBRYSA-N 1 0 275.352 -0.177 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nn1CC ZINC001272528955 827814498 /nfs/dbraw/zinc/81/44/98/827814498.db2.gz FIJIEEDVRQSUIU-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1=O ZINC001272534602 827814836 /nfs/dbraw/zinc/81/48/36/827814836.db2.gz MLGCWSDQLZZZDN-OAHLLOKOSA-N 1 0 291.351 -0.451 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@H](O)C[NH2+]CC#CC)nn1 ZINC001272536429 827817435 /nfs/dbraw/zinc/81/74/35/827817435.db2.gz DDWGWMUDEKVRMF-GFCCVEGCSA-N 1 0 291.355 -0.442 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001272537044 827817498 /nfs/dbraw/zinc/81/74/98/827817498.db2.gz PKFGYSVRGVZPCX-YPMHNXCESA-N 1 0 278.356 -0.322 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001272537042 827817721 /nfs/dbraw/zinc/81/77/21/827817721.db2.gz PKFGYSVRGVZPCX-DGCLKSJQSA-N 1 0 278.356 -0.322 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(N(C)C)c1 ZINC001272536341 827818154 /nfs/dbraw/zinc/81/81/54/827818154.db2.gz BCBYRRAXJWPVAR-CYBMUJFWSA-N 1 0 290.367 -0.149 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(CC)n1 ZINC001272545500 827819044 /nfs/dbraw/zinc/81/90/44/827819044.db2.gz KZBDXBVOIBTYAL-NSHDSACASA-N 1 0 294.355 -0.480 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)nn1C ZINC001272552303 827819602 /nfs/dbraw/zinc/81/96/02/827819602.db2.gz CTGVDEIKBBOPFV-NSHDSACASA-N 1 0 264.329 -0.704 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001272560777 827821932 /nfs/dbraw/zinc/82/19/32/827821932.db2.gz TYZAKTRKOBHMNE-JQWIXIFHSA-N 1 0 278.356 -0.233 20 30 CBEDRO C#Cc1ccccc1CC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001272568063 827822348 /nfs/dbraw/zinc/82/23/48/827822348.db2.gz VAKDUMLWAGEEGO-AWEZNQCLSA-N 1 0 276.336 -0.731 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001272566106 827822512 /nfs/dbraw/zinc/82/25/12/827822512.db2.gz SASZBPAWOPKUSI-UPJWGTAASA-N 1 0 295.383 -0.109 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001272567011 827823185 /nfs/dbraw/zinc/82/31/85/827823185.db2.gz JGWCEOKERGKUOY-NSHDSACASA-N 1 0 266.345 -0.097 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CNC(=O)CC(C)(C)C ZINC001272584926 827826047 /nfs/dbraw/zinc/82/60/47/827826047.db2.gz RMNZLRVDVFHLAP-LBPRGKRZSA-N 1 0 297.399 -0.371 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cncnc1 ZINC001272738373 827837565 /nfs/dbraw/zinc/83/75/65/827837565.db2.gz QEDZMGNAKTUPCW-LLVKDONJSA-N 1 0 289.339 -0.676 20 30 CBEDRO COC[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001272731056 827837599 /nfs/dbraw/zinc/83/75/99/827837599.db2.gz XZEOOUJPAHPWTI-JQWIXIFHSA-N 1 0 294.355 -0.008 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001272738351 827837934 /nfs/dbraw/zinc/83/79/34/827837934.db2.gz PQWHMDABMKHGMJ-ZJUUUORDSA-N 1 0 254.334 -0.449 20 30 CBEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)CN1CCOCC1=O ZINC001272831470 827841662 /nfs/dbraw/zinc/84/16/62/827841662.db2.gz ULTCGKJJYJWQBG-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001272831468 827842018 /nfs/dbraw/zinc/84/20/18/827842018.db2.gz ULTCGKJJYJWQBG-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC(OC)C1 ZINC001272845275 827844279 /nfs/dbraw/zinc/84/42/79/827844279.db2.gz QTQLCSPENKOYTP-HIFPTAJRSA-N 1 0 295.383 -0.355 20 30 CBEDRO COCC#CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272955213 827852720 /nfs/dbraw/zinc/85/27/20/827852720.db2.gz YCHGGAWAEUTRKX-KGLIPLIRSA-N 1 0 295.383 -0.891 20 30 CBEDRO C#CCN1C[C@@]2(CCN(Cc3cncn3C)C2)OCC1=O ZINC001272996040 827855936 /nfs/dbraw/zinc/85/59/36/827855936.db2.gz AKYVNJHAMPJZPL-HNNXBMFYSA-N 1 0 288.351 -0.143 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@@H+](CC3(C)COC3)C2)OCC1=O ZINC001273062384 827858547 /nfs/dbraw/zinc/85/85/47/827858547.db2.gz DBKCIQMORYUUHK-HNNXBMFYSA-N 1 0 278.352 -0.041 20 30 CBEDRO C[NH+](C)CCN1CC2(C1)COCC(=O)N2CCCC#N ZINC001273108488 827864972 /nfs/dbraw/zinc/86/49/72/827864972.db2.gz RSCAYYUMEKCIRD-UHFFFAOYSA-N 1 0 280.372 -0.235 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 ZINC001273165812 827869539 /nfs/dbraw/zinc/86/95/39/827869539.db2.gz FRZPMKNFZYSSMZ-NSHDSACASA-N 1 0 263.341 -0.083 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C(F)F)CCO1 ZINC001273207866 827873545 /nfs/dbraw/zinc/87/35/45/827873545.db2.gz GGFJQBWUTYLCSS-JTQLQIEISA-N 1 0 276.283 -0.282 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001273217561 827874835 /nfs/dbraw/zinc/87/48/35/827874835.db2.gz MOEZZXVZMDBBQZ-CYBMUJFWSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)c2cnn(C)c2N)CCO1 ZINC001273244527 827877132 /nfs/dbraw/zinc/87/71/32/827877132.db2.gz SDCGRCYHBRJELJ-NSHDSACASA-N 1 0 291.355 -0.544 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cnnc(C)c2)CCO1 ZINC001273252526 827877995 /nfs/dbraw/zinc/87/79/95/827877995.db2.gz TUBUGMWPLBHNLL-ZDUSSCGKSA-N 1 0 274.324 -0.151 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnccn1 ZINC001273249263 827878464 /nfs/dbraw/zinc/87/84/64/827878464.db2.gz MUXUFHJSVNCIEF-UHFFFAOYSA-N 1 0 291.355 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](O)C(C)C)CCO1 ZINC001273251278 827878546 /nfs/dbraw/zinc/87/85/46/827878546.db2.gz KCDTUKIYIBQUJV-VXGBXAGGSA-N 1 0 254.330 -0.547 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273259849 827879634 /nfs/dbraw/zinc/87/96/34/827879634.db2.gz CKHHBTGATWEGSA-OLZOCXBDSA-N 1 0 284.356 -0.776 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C#CC(C)C)CCO1 ZINC001273260558 827880620 /nfs/dbraw/zinc/88/06/20/827880620.db2.gz LJQIEHXFQHOROA-OLZOCXBDSA-N 1 0 295.383 -0.403 20 30 CBEDRO CCN(CCNCc1nnnn1C)C(=O)CSCC#N ZINC001273274086 827883163 /nfs/dbraw/zinc/88/31/63/827883163.db2.gz IJNDNXWXMYSMKK-UHFFFAOYSA-N 1 0 297.388 -0.595 20 30 CBEDRO C#CCN1C[C@@]2(CCN(Cc3cccnn3)C2)OCC1=O ZINC001273268427 827883176 /nfs/dbraw/zinc/88/31/76/827883176.db2.gz IMOMDIKVUNQRIS-HNNXBMFYSA-N 1 0 286.335 -0.087 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001273309279 827887983 /nfs/dbraw/zinc/88/79/83/827887983.db2.gz VVFXSHYVNPXERJ-QWHCGFSZSA-N 1 0 293.367 -0.553 20 30 CBEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001273341863 827890511 /nfs/dbraw/zinc/89/05/11/827890511.db2.gz FZFNWDLLMFSRQM-NEPJUHHUSA-N 1 0 281.356 -0.342 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)CCO1 ZINC001273332116 827891004 /nfs/dbraw/zinc/89/10/04/827891004.db2.gz PEQSBPKJPPHCQE-GFCCVEGCSA-N 1 0 281.356 -0.649 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CNC(=O)N1 ZINC001273582091 827911562 /nfs/dbraw/zinc/91/15/62/827911562.db2.gz QBPMSAIQDRVLAF-JTQLQIEISA-N 1 0 252.318 -0.871 20 30 CBEDRO C#CCCCC(=O)N(CC)CC[NH2+]CC(=O)NC(=O)NC ZINC001273347739 827893458 /nfs/dbraw/zinc/89/34/58/827893458.db2.gz CDFLNTRGPYQBJM-UHFFFAOYSA-N 1 0 296.371 -0.316 20 30 CBEDRO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)C#CC(C)C ZINC001273367896 827894663 /nfs/dbraw/zinc/89/46/63/827894663.db2.gz OSJGXLSIUDWYOG-LLVKDONJSA-N 1 0 296.371 -0.333 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001273365758 827894936 /nfs/dbraw/zinc/89/49/36/827894936.db2.gz NKTRONPVDGOIOI-ZDUSSCGKSA-N 1 0 276.340 -0.277 20 30 CBEDRO CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001273400167 827895767 /nfs/dbraw/zinc/89/57/67/827895767.db2.gz QOJDATJMXJMYBS-QWRGUYRKSA-N 1 0 266.345 -0.137 20 30 CBEDRO C=CCC[NH2+]CCN(CC)C(=O)CNC(=O)NC ZINC001273413122 827899381 /nfs/dbraw/zinc/89/93/81/827899381.db2.gz SSCIRJPKJHDIHE-UHFFFAOYSA-N 1 0 256.350 -0.070 20 30 CBEDRO C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001273565388 827912093 /nfs/dbraw/zinc/91/20/93/827912093.db2.gz FBLHLUXKTWTRAX-NSHDSACASA-N 1 0 291.417 -0.110 20 30 CBEDRO C#CCN1CC[C@@]2(CC[N@@H+]([C@@H](CC)C(N)=O)C2)C1=O ZINC001273704110 827919104 /nfs/dbraw/zinc/91/91/04/827919104.db2.gz NYPDQZKZMMPVGX-FZMZJTMJSA-N 1 0 263.341 -0.192 20 30 CBEDRO C[NH+](C)C1(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)CCC1 ZINC001273705628 827921120 /nfs/dbraw/zinc/92/11/20/827921120.db2.gz UUSNWBPVOGEYBO-LBPRGKRZSA-N 1 0 292.383 -0.046 20 30 CBEDRO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H](CC)C(N)=O ZINC001273704174 827921711 /nfs/dbraw/zinc/92/17/11/827921711.db2.gz OQIMSPFDZRAKJK-IJLUTSLNSA-N 1 0 263.341 -0.051 20 30 CBEDRO C[NH+](C)C1(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)CCC1 ZINC001273705627 827921797 /nfs/dbraw/zinc/92/17/97/827921797.db2.gz UUSNWBPVOGEYBO-GFCCVEGCSA-N 1 0 292.383 -0.046 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001273744534 827923717 /nfs/dbraw/zinc/92/37/17/827923717.db2.gz BXMXNYMWOVQHTP-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001273752754 827924125 /nfs/dbraw/zinc/92/41/25/827924125.db2.gz KPVMACZKDPQCCJ-UHFFFAOYSA-N 1 0 280.328 -0.276 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@H+](C[C@@H]3COCCO3)C2)OCC1=O ZINC001273775134 827924251 /nfs/dbraw/zinc/92/42/51/827924251.db2.gz WYBFLPBEUQNSPT-HIFRSBDPSA-N 1 0 294.351 -0.662 20 30 CBEDRO C=CCN1C[C@]2(CC[N@H+](C[C@@H]3COCCO3)C2)OCC1=O ZINC001273774236 827924781 /nfs/dbraw/zinc/92/47/81/827924781.db2.gz OCKHNAATYRUFNG-UKRRQHHQSA-N 1 0 296.367 -0.109 20 30 CBEDRO C=CCN1C[C@@]2(CC[N@H+](C[C@H]3COCCO3)C2)OCC1=O ZINC001273774238 827924952 /nfs/dbraw/zinc/92/49/52/827924952.db2.gz OCKHNAATYRUFNG-ZFWWWQNUSA-N 1 0 296.367 -0.109 20 30 CBEDRO C#CCN1CC[C@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1=O ZINC001273811307 827927569 /nfs/dbraw/zinc/92/75/69/827927569.db2.gz CVCNCXZCGLNJQO-ZDUSSCGKSA-N 1 0 284.381 -0.411 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)NC(C)=O ZINC001273824031 827928517 /nfs/dbraw/zinc/92/85/17/827928517.db2.gz VQEOULDWBNHAHC-MLRMMBSGSA-N 1 0 251.330 -0.204 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@@H+](CCC(=O)N(C)C)C2)OCC1=O ZINC001273838698 827929747 /nfs/dbraw/zinc/92/97/47/827929747.db2.gz XQYCVLVOCSOGMC-HNNXBMFYSA-N 1 0 293.367 -0.599 20 30 CBEDRO COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)COC)C1 ZINC001273847593 827931345 /nfs/dbraw/zinc/93/13/45/827931345.db2.gz AZNPEEJVGUYRMQ-CQSZACIVSA-N 1 0 284.356 -0.774 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001273875848 827934885 /nfs/dbraw/zinc/93/48/85/827934885.db2.gz JLKYVZWPGSFNOR-ZFWWWQNUSA-N 1 0 296.367 -0.632 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC(=O)NCC)C2=O ZINC001273882386 827936107 /nfs/dbraw/zinc/93/61/07/827936107.db2.gz YKJHFLGSUAHVGU-DOMZBBRYSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CC(=O)NCC)C2=O)C1 ZINC001273881763 827936092 /nfs/dbraw/zinc/93/60/92/827936092.db2.gz QRSIQLDNZWUFRO-SWLSCSKDSA-N 1 0 295.383 -0.406 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CC[C@]2(C1)CN([C@H](C)C(C)=O)C(=O)CO2 ZINC001273881545 827936362 /nfs/dbraw/zinc/93/63/62/827936362.db2.gz PFPDXGQHCXNLCM-ZLDLUXBVSA-N 1 0 296.367 -0.186 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCOCC)C(=O)CO2 ZINC001273881848 827936533 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CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)=O ZINC001277760128 828206771 /nfs/dbraw/zinc/20/67/71/828206771.db2.gz QHRMWCOROPJKEE-LBPRGKRZSA-N 1 0 283.372 -0.449 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC ZINC001277786703 828207661 /nfs/dbraw/zinc/20/76/61/828207661.db2.gz XQZSGKLDGBGGEA-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001277813060 828209016 /nfs/dbraw/zinc/20/90/16/828209016.db2.gz CWDWPCBKVHJMHL-GFCCVEGCSA-N 1 0 263.341 -0.274 20 30 CBEDRO N#CCSCC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001277805525 828209812 /nfs/dbraw/zinc/20/98/12/828209812.db2.gz URTQOJACBNUJTE-GHMZBOCLSA-N 1 0 296.396 -0.288 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001277845924 828213310 /nfs/dbraw/zinc/21/33/10/828213310.db2.gz PCGZPPUMKDFWCG-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)NC ZINC001277846120 828213385 /nfs/dbraw/zinc/21/33/85/828213385.db2.gz QKSYZIDAJNUFPU-LLVKDONJSA-N 1 0 266.345 -0.481 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001277853467 828214264 /nfs/dbraw/zinc/21/42/64/828214264.db2.gz GVYMUPSHKWPFRI-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCN1C(=O)CCC1=O ZINC001277880028 828215770 /nfs/dbraw/zinc/21/57/70/828215770.db2.gz LWHRGJMJYWJWPK-LBPRGKRZSA-N 1 0 293.367 -0.015 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001277866554 828215920 /nfs/dbraw/zinc/21/59/20/828215920.db2.gz VHFQKBVQMVDLLL-RYUDHWBXSA-N 1 0 291.351 -0.262 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001277908094 828217970 /nfs/dbraw/zinc/21/79/70/828217970.db2.gz RAOWBRNYDFFVBW-RYUDHWBXSA-N 1 0 296.371 -0.904 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001277917793 828218593 /nfs/dbraw/zinc/21/85/93/828218593.db2.gz WGDYEDNSMRTMLF-VXGBXAGGSA-N 1 0 263.341 -0.274 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001277917679 828218885 /nfs/dbraw/zinc/21/88/85/828218885.db2.gz VHUFNIXRCMGBEH-GHMZBOCLSA-N 1 0 251.330 -0.111 20 30 CBEDRO CC[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277917181 828218893 /nfs/dbraw/zinc/21/88/93/828218893.db2.gz QOTGRJXIOILIAD-QWRGUYRKSA-N 1 0 284.335 -0.045 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001277942290 828221645 /nfs/dbraw/zinc/22/16/45/828221645.db2.gz WYVMGZYUZAJDLD-JTQLQIEISA-N 1 0 274.324 -0.059 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001277968699 828223592 /nfs/dbraw/zinc/22/35/92/828223592.db2.gz LCTAEJYVRCGIMI-LLVKDONJSA-N 1 0 294.355 -0.451 20 30 CBEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCN(CC(N)=O)[C@@H]3C2)cc1C#N ZINC001277980731 828224881 /nfs/dbraw/zinc/22/48/81/828224881.db2.gz CCJGACMOWYHGIQ-GXTWGEPZSA-N 1 0 287.367 -0.112 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CN(C)S(=O)(=O)CC ZINC001277981170 828226746 /nfs/dbraw/zinc/22/67/46/828226746.db2.gz XNZXHEIOWYCTLN-LLVKDONJSA-N 1 0 289.401 -0.662 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1nc2ncccn2n1 ZINC001277997607 828227622 /nfs/dbraw/zinc/22/76/22/828227622.db2.gz OUAZHXVAPPFPGG-LBPRGKRZSA-N 1 0 298.350 -0.119 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001278025420 828231571 /nfs/dbraw/zinc/23/15/71/828231571.db2.gz NMMRRBULLLJLBS-VXGBXAGGSA-N 1 0 275.356 -0.090 20 30 CBEDRO CC(C)OCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001278736861 828278442 /nfs/dbraw/zinc/27/84/42/828278442.db2.gz BROFTUDJKOEXQK-RYUDHWBXSA-N 1 0 271.361 -0.020 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)n1cccn1 ZINC001278047967 828237412 /nfs/dbraw/zinc/23/74/12/828237412.db2.gz KBLKOOJZPNWUDJ-CHWSQXEVSA-N 1 0 294.355 -0.839 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cc1cnn(C)c1 ZINC001278053266 828237902 /nfs/dbraw/zinc/23/79/02/828237902.db2.gz DZYPLFXAYIVYMI-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1C ZINC001278048447 828237996 /nfs/dbraw/zinc/23/79/96/828237996.db2.gz PRRGOIHMHWGXTK-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cc(C)on1 ZINC001278053215 828238700 /nfs/dbraw/zinc/23/87/00/828238700.db2.gz DDWJUTDQTJLLTJ-CYBMUJFWSA-N 1 0 295.339 -0.758 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCOC1 ZINC001278053829 828239617 /nfs/dbraw/zinc/23/96/17/828239617.db2.gz KVDDAHOIUIWQPX-RYUDHWBXSA-N 1 0 254.330 -0.497 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ocnc1C ZINC001278060198 828240093 /nfs/dbraw/zinc/24/00/93/828240093.db2.gz DSGCRIWULWOIQL-LLVKDONJSA-N 1 0 281.312 -0.687 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1cc(C)on1 ZINC001278055044 828240171 /nfs/dbraw/zinc/24/01/71/828240171.db2.gz YSGBTWBPZBWTIO-LBPRGKRZSA-N 1 0 265.313 -0.384 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cncc(C)c1 ZINC001278062229 828240635 /nfs/dbraw/zinc/24/06/35/828240635.db2.gz RLDJIGQDUBOYFG-CQSZACIVSA-N 1 0 291.351 -0.280 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nccn1CC ZINC001278070942 828240715 /nfs/dbraw/zinc/24/07/15/828240715.db2.gz LKBNLWINCBTPPX-NSHDSACASA-N 1 0 264.329 -0.393 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001278070008 828241372 /nfs/dbraw/zinc/24/13/72/828241372.db2.gz FXPNPWJISUDUJL-NWDGAFQWSA-N 1 0 284.356 -0.028 20 30 CBEDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC1CC1 ZINC001278077667 828241938 /nfs/dbraw/zinc/24/19/38/828241938.db2.gz MSUKCELZXDKQNS-WCQYABFASA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001278077264 828242260 /nfs/dbraw/zinc/24/22/60/828242260.db2.gz HKRTXHDXPAUZND-DGCLKSJQSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nccc(C)n1 ZINC001278073066 828242330 /nfs/dbraw/zinc/24/23/30/828242330.db2.gz YBXSDKZWHHETRK-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1n[nH]cc1C ZINC001278077520 828242893 /nfs/dbraw/zinc/24/28/93/828242893.db2.gz KDFOKGNIAQVVNE-SNVBAGLBSA-N 1 0 252.318 -0.025 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CCc1ccncn1 ZINC001278093390 828245003 /nfs/dbraw/zinc/24/50/03/828245003.db2.gz JIUBFTFGEILLNW-ZDUSSCGKSA-N 1 0 276.340 -0.501 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CCc1ccnn1C ZINC001278093631 828245422 /nfs/dbraw/zinc/24/54/22/828245422.db2.gz OISSFIADUJJBOO-LLVKDONJSA-N 1 0 264.329 -0.947 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278093807 828245577 /nfs/dbraw/zinc/24/55/77/828245577.db2.gz RFPCPQKFDLVZQE-LLVKDONJSA-N 1 0 294.355 -0.078 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001278093455 828245656 /nfs/dbraw/zinc/24/56/56/828245656.db2.gz KXCDFPSVZHRISH-GHMZBOCLSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001278099190 828247022 /nfs/dbraw/zinc/24/70/22/828247022.db2.gz FTFKTNPEAPQNCI-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001278100467 828247696 /nfs/dbraw/zinc/24/76/96/828247696.db2.gz YGQTZBUQLVNZFS-VXGBXAGGSA-N 1 0 290.367 -0.221 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001278100144 828247960 /nfs/dbraw/zinc/24/79/60/828247960.db2.gz UTHCRIFRSIOGTA-LBPRGKRZSA-N 1 0 287.323 -0.339 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001278106001 828248130 /nfs/dbraw/zinc/24/81/30/828248130.db2.gz RASLWZFYKBPUMW-QWHCGFSZSA-N 1 0 267.373 -0.439 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001278104973 828248212 /nfs/dbraw/zinc/24/82/12/828248212.db2.gz CQTBIILXRHPJMU-NWDGAFQWSA-N 1 0 278.356 -0.302 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(=O)oc1C ZINC001278113409 828248730 /nfs/dbraw/zinc/24/87/30/828248730.db2.gz WOAGAGYGVCWMHG-LLVKDONJSA-N 1 0 278.308 -0.430 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1snnc1CC ZINC001278113102 828248933 /nfs/dbraw/zinc/24/89/33/828248933.db2.gz RMTYFQNINPQURN-VIFPVBQESA-N 1 0 282.369 -0.196 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1snnc1CC ZINC001278113101 828249299 /nfs/dbraw/zinc/24/92/99/828249299.db2.gz RMTYFQNINPQURN-SECBINFHSA-N 1 0 282.369 -0.196 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)CC(N)=O ZINC001278128993 828250174 /nfs/dbraw/zinc/25/01/74/828250174.db2.gz LBTDMRAPIORIHU-VHSXEESVSA-N 1 0 257.334 -0.859 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1OC ZINC001278129903 828250795 /nfs/dbraw/zinc/25/07/95/828250795.db2.gz QBTBWJPSZAQMNL-SNVBAGLBSA-N 1 0 282.344 -0.315 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001278147400 828253175 /nfs/dbraw/zinc/25/31/75/828253175.db2.gz MIVSDQZCJULULN-SNVBAGLBSA-N 1 0 282.344 -0.228 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(COC)on1 ZINC001278164857 828253659 /nfs/dbraw/zinc/25/36/59/828253659.db2.gz OJOCFBFOZZSHPA-SNVBAGLBSA-N 1 0 281.312 -0.475 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1c2c(nn1C)CCC2 ZINC001278178142 828255449 /nfs/dbraw/zinc/25/54/49/828255449.db2.gz BWRTYZOUMYJPQQ-JTQLQIEISA-N 1 0 278.356 -0.225 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cncn1C ZINC001278178829 828255584 /nfs/dbraw/zinc/25/55/84/828255584.db2.gz LHRWGYXKDKOEOI-LLVKDONJSA-N 1 0 264.329 -0.947 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnc(OC)nc1 ZINC001278178073 828255665 /nfs/dbraw/zinc/25/56/65/828255665.db2.gz ALGRKKPORXHFND-NSHDSACASA-N 1 0 278.312 -0.811 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001278179880 828256746 /nfs/dbraw/zinc/25/67/46/828256746.db2.gz WBKLAXDQIWNXLK-OLZOCXBDSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1c(C)nn(C)c1F ZINC001278186860 828256676 /nfs/dbraw/zinc/25/66/76/828256676.db2.gz KGEMTBBFXLXBQU-JTQLQIEISA-N 1 0 282.319 -0.429 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1CCN(C(C)=O)CC1 ZINC001278196499 828257786 /nfs/dbraw/zinc/25/77/86/828257786.db2.gz ZEUCIUYSCJGSNI-CYBMUJFWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001278194276 828257905 /nfs/dbraw/zinc/25/79/05/828257905.db2.gz HVDKERCMAMDHHK-SNVBAGLBSA-N 1 0 252.318 -0.324 20 30 CBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CSCC#N ZINC001278221605 828259159 /nfs/dbraw/zinc/25/91/59/828259159.db2.gz RJOCPEYTLIDNGC-MNOVXSKESA-N 1 0 298.412 -0.090 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC001278212098 828259287 /nfs/dbraw/zinc/25/92/87/828259287.db2.gz HYSGBCQQGJABDS-GWCFXTLKSA-N 1 0 292.383 -0.160 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001278202960 828259653 /nfs/dbraw/zinc/25/96/53/828259653.db2.gz XCIAIKKPVYVCPR-SNVBAGLBSA-N 1 0 289.291 -0.153 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(C)=O)[C@@H]1C ZINC001278212397 828259708 /nfs/dbraw/zinc/25/97/08/828259708.db2.gz ITIWIBYNCYLNQR-KOLCDFICSA-N 1 0 282.344 -0.403 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001278214386 828259829 /nfs/dbraw/zinc/25/98/29/828259829.db2.gz SQZYNFGXOKOBNO-DOMZBBRYSA-N 1 0 295.383 -0.475 20 30 CBEDRO C[NH+](C)CCN1CC2(C1)CN(S(=O)(=O)CC#N)C2 ZINC001278256430 828262078 /nfs/dbraw/zinc/26/20/78/828262078.db2.gz OKICTFVAVLNDKI-UHFFFAOYSA-N 1 0 272.374 -0.981 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@@H]1C ZINC001278309231 828263314 /nfs/dbraw/zinc/26/33/14/828263314.db2.gz UJSJMWLIZQJJSE-ZJUUUORDSA-N 1 0 291.311 -0.988 20 30 CBEDRO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001278345440 828265977 /nfs/dbraw/zinc/26/59/77/828265977.db2.gz LXKWIRWWBXWRGQ-GHMZBOCLSA-N 1 0 267.329 -0.055 20 30 CBEDRO C=CCOCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278355360 828266434 /nfs/dbraw/zinc/26/64/34/828266434.db2.gz KZEZJYMEBYGVTQ-VXGBXAGGSA-N 1 0 294.355 -0.592 20 30 CBEDRO C#CCOCCC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001278370256 828267284 /nfs/dbraw/zinc/26/72/84/828267284.db2.gz FUXDHIMFSQZUBR-RYUDHWBXSA-N 1 0 254.330 -0.402 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)NC)C1 ZINC001278422949 828270040 /nfs/dbraw/zinc/27/00/40/828270040.db2.gz GMQWUIZEWGIKPN-WDEREUQCSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001278411033 828270076 /nfs/dbraw/zinc/27/00/76/828270076.db2.gz RCOYCVQAGZGGCA-CQSZACIVSA-N 1 0 290.323 -0.837 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC001278486949 828271474 /nfs/dbraw/zinc/27/14/74/828271474.db2.gz KGSLBPBWJHRVEX-SDDRHHMPSA-N 1 0 263.341 -0.288 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CCN(C(=O)CS(C)(=O)=O)C1 ZINC001278464077 828271522 /nfs/dbraw/zinc/27/15/22/828271522.db2.gz SEZQARHLJVPCNM-LBPRGKRZSA-N 1 0 272.370 -0.508 20 30 CBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CNC(=O)NC)CC1(C)C ZINC001278644330 828274462 /nfs/dbraw/zinc/27/44/62/828274462.db2.gz DOXZGGNMVCKWCJ-LLVKDONJSA-N 1 0 280.372 -0.235 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(C)=O)CC1(C)C ZINC001278619382 828274646 /nfs/dbraw/zinc/27/46/46/828274646.db2.gz VYZVOBHKGATRSX-LLVKDONJSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC1(C)C ZINC001278662174 828276404 /nfs/dbraw/zinc/27/64/04/828276404.db2.gz 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/nfs/dbraw/zinc/61/01/58/886610158.db2.gz YXHXKDNEXWFHBR-SRVKXCTJSA-N 1 0 281.356 -0.214 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001330938964 886628879 /nfs/dbraw/zinc/62/88/79/886628879.db2.gz CQXUVXGPSPGRGE-LLVKDONJSA-N 1 0 293.367 -0.063 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)c1cn(C)cn1 ZINC001331111294 886680550 /nfs/dbraw/zinc/68/05/50/886680550.db2.gz QJQQPBLHFYZOOB-UHFFFAOYSA-N 1 0 264.329 -0.269 20 30 CBEDRO CNC(=O)NC(=O)CC[NH+]1CCN(CCC#N)CC1 ZINC001331145337 886691738 /nfs/dbraw/zinc/69/17/38/886691738.db2.gz SWIJOKIHLOBKDT-UHFFFAOYSA-N 1 0 267.333 -0.637 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)c1ccnnc1 ZINC001331150130 886695822 /nfs/dbraw/zinc/69/58/22/886695822.db2.gz QZBQUWONPFVMQX-UHFFFAOYSA-N 1 0 262.313 -0.212 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331166194 886704024 /nfs/dbraw/zinc/70/40/24/886704024.db2.gz KNBDDINHFDBTQG-UWVGGRQHSA-N 1 0 267.354 -0.958 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001331203237 886726163 /nfs/dbraw/zinc/72/61/63/886726163.db2.gz SASWIEXPIVNKJX-GFCCVEGCSA-N 1 0 293.371 -0.665 20 30 CBEDRO C=CCN(CC=C)C(=O)Cn1cc(C[C@@H]([NH3+])CO)nn1 ZINC001331229479 886741684 /nfs/dbraw/zinc/74/16/84/886741684.db2.gz RTBYXWZMHBQQPV-LLVKDONJSA-N 1 0 279.344 -0.659 20 30 CBEDRO C=CCN1CC[C@@H]([NH+]2CCC(O)(COCCO)CC2)C1=O ZINC001331230357 886742643 /nfs/dbraw/zinc/74/26/43/886742643.db2.gz ULHSLVMENSMDTD-CYBMUJFWSA-N 1 0 298.383 -0.391 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001331318255 886773724 /nfs/dbraw/zinc/77/37/24/886773724.db2.gz JZCKHLWRQQRSLX-SNVBAGLBSA-N 1 0 262.317 -0.717 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001331386355 886787155 /nfs/dbraw/zinc/78/71/55/886787155.db2.gz HFTQRZILPLYEEH-SMDDNHRTSA-N 1 0 279.340 -0.908 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)OC ZINC001331407536 886795909 /nfs/dbraw/zinc/79/59/09/886795909.db2.gz RXDNVJAEYDQRAS-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001331426474 886804485 /nfs/dbraw/zinc/80/44/85/886804485.db2.gz ISVIPYQKDWKLGO-LLVKDONJSA-N 1 0 253.346 -0.028 20 30 CBEDRO C[C@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]CC(=O)NCC#N ZINC001331438540 886807630 /nfs/dbraw/zinc/80/76/30/886807630.db2.gz HUEZDDXENKHTFS-LLVKDONJSA-N 1 0 296.371 -0.632 20 30 CBEDRO C#CCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC001331437441 886808121 /nfs/dbraw/zinc/80/81/21/886808121.db2.gz IOBXRVMVSKHKAR-GRYCIOLGSA-N 1 0 299.396 -0.444 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CNC(=O)c1ccncc1 ZINC001331456170 886810137 /nfs/dbraw/zinc/81/01/37/886810137.db2.gz SAPMYAYZJKGTNR-LBPRGKRZSA-N 1 0 288.351 -0.119 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001331586577 886856220 /nfs/dbraw/zinc/85/62/20/886856220.db2.gz ZZPNZHVVNTYILE-WDEREUQCSA-N 1 0 251.330 -0.227 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001331489499 886821415 /nfs/dbraw/zinc/82/14/15/886821415.db2.gz LTQIMTBFSPDKPE-MNOVXSKESA-N 1 0 274.386 -0.121 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001331492672 886821554 /nfs/dbraw/zinc/82/15/54/886821554.db2.gz XOHLNXYMQXUGGT-JTQLQIEISA-N 1 0 272.370 -0.509 20 30 CBEDRO CO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)C(C)C ZINC001331547944 886839653 /nfs/dbraw/zinc/83/96/53/886839653.db2.gz PYKKVVNFMPLSGW-DGCLKSJQSA-N 1 0 298.387 -0.266 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCOC(=O)N2)CC1 ZINC001331573416 886850781 /nfs/dbraw/zinc/85/07/81/886850781.db2.gz USMLERPJHKUGFL-SECBINFHSA-N 1 0 266.301 -0.411 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331618806 886868052 /nfs/dbraw/zinc/86/80/52/886868052.db2.gz XAFZXYLWRZLEMM-MGCOHNPYSA-N 1 0 269.370 -0.678 20 30 CBEDRO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001331633565 886875841 /nfs/dbraw/zinc/87/58/41/886875841.db2.gz WMRKFDUHHSGFDZ-VXGBXAGGSA-N 1 0 295.387 -0.986 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccccc1 ZINC001331666991 886893219 /nfs/dbraw/zinc/89/32/19/886893219.db2.gz OXFMCGPBRFUPBC-CYBMUJFWSA-N 1 0 289.335 -0.884 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1snnc1C ZINC001331667926 886893260 /nfs/dbraw/zinc/89/32/60/886893260.db2.gz RWLCXPNLAPXAAZ-SECBINFHSA-N 1 0 268.342 -0.450 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(F)F ZINC001331667796 886893686 /nfs/dbraw/zinc/89/36/86/886893686.db2.gz VHLJKVQAXWEMRX-DTWKUNHWSA-N 1 0 293.314 -0.601 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C2CC2)C1=O ZINC001331666227 886895191 /nfs/dbraw/zinc/89/51/91/886895191.db2.gz QVEISMVOOGWHCS-NWDGAFQWSA-N 1 0 281.356 -0.750 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CCCCC1 ZINC001331669269 886897601 /nfs/dbraw/zinc/89/76/01/886897601.db2.gz VAUFCIPTUBMNKL-LBPRGKRZSA-N 1 0 296.371 -0.727 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CSCC#N ZINC001331681076 886902209 /nfs/dbraw/zinc/90/22/09/886902209.db2.gz FVQDOQSZELXLQR-JTQLQIEISA-N 1 0 255.343 -0.667 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CCn1cncn1 ZINC001331686206 886907643 /nfs/dbraw/zinc/90/76/43/886907643.db2.gz VPIPVFZMHZDRDQ-NSHDSACASA-N 1 0 267.333 -0.689 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ncccc1C ZINC001331695411 886914753 /nfs/dbraw/zinc/91/47/53/886914753.db2.gz HQBFQXKOMQVFML-CYBMUJFWSA-N 1 0 291.351 -0.280 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C1=CCOCC1 ZINC001331702912 886918333 /nfs/dbraw/zinc/91/83/33/886918333.db2.gz AHYVSGNXOQYGDP-GFCCVEGCSA-N 1 0 254.330 -0.024 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001331705381 886921551 /nfs/dbraw/zinc/92/15/51/886921551.db2.gz HKFSKMIMNSCQDP-ZJUUUORDSA-N 1 0 271.317 -0.872 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cc(OC)no1 ZINC001331706753 886921926 /nfs/dbraw/zinc/92/19/26/886921926.db2.gz LODGIQSYHVFAEJ-VIFPVBQESA-N 1 0 269.301 -0.060 20 30 CBEDRO N#Cc1ccc(CC(=O)N2CCO[C@H](C[NH3+])C2)cn1 ZINC001331708877 886923794 /nfs/dbraw/zinc/92/37/94/886923794.db2.gz YNEXLYTYWAKXFD-GFCCVEGCSA-N 1 0 260.297 -0.318 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001331711116 886927073 /nfs/dbraw/zinc/92/70/73/886927073.db2.gz FNHRGGVHZBXWFY-LLVKDONJSA-N 1 0 293.371 -0.201 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001331727598 886939179 /nfs/dbraw/zinc/93/91/79/886939179.db2.gz ZQBPXYMBLJXBAK-LBPRGKRZSA-N 1 0 293.371 -0.202 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccnc2ccnn21 ZINC001331727724 886939374 /nfs/dbraw/zinc/93/93/74/886939374.db2.gz ZYJOQJRBUQXOPI-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO O=C(NCC#Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001331731454 886942649 /nfs/dbraw/zinc/94/26/49/886942649.db2.gz NCJOYVAGPHRLHS-CYBMUJFWSA-N 1 0 271.320 -0.368 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001331739164 886949145 /nfs/dbraw/zinc/94/91/45/886949145.db2.gz HPRFLNRNFMRCAL-LBPRGKRZSA-N 1 0 281.356 -0.911 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001331741358 886949957 /nfs/dbraw/zinc/94/99/57/886949957.db2.gz WBPSFBLBVPFRDJ-VXGBXAGGSA-N 1 0 281.356 -0.865 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C(N)=O)c1 ZINC001331739498 886950096 /nfs/dbraw/zinc/95/00/96/886950096.db2.gz MAHVFDVMNKQGGU-GFCCVEGCSA-N 1 0 277.324 -0.348 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)nc1 ZINC001331739370 886950416 /nfs/dbraw/zinc/95/04/16/886950416.db2.gz IZGMFUHSTPGEDW-NSHDSACASA-N 1 0 265.313 -0.044 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001331742317 886952257 /nfs/dbraw/zinc/95/22/57/886952257.db2.gz ZBFGQSFDOBQPPU-LBPRGKRZSA-N 1 0 291.351 -0.603 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(CCC)n[nH]1 ZINC001331755518 886958112 /nfs/dbraw/zinc/95/81/12/886958112.db2.gz DABKOQODUOFOQR-LLVKDONJSA-N 1 0 264.329 -0.324 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(OC)ccn1 ZINC001331755577 886958794 /nfs/dbraw/zinc/95/87/94/886958794.db2.gz DPDQGFLCQBMCIU-LLVKDONJSA-N 1 0 277.324 -0.206 20 30 CBEDRO CC#CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001331755155 886959924 /nfs/dbraw/zinc/95/99/24/886959924.db2.gz XWVAGKMVYBDUNF-UHFFFAOYSA-N 1 0 267.329 -0.860 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](OC)C1CCC1 ZINC001331759862 886962154 /nfs/dbraw/zinc/96/21/54/886962154.db2.gz WPFGZDLDMRTFRM-CHWSQXEVSA-N 1 0 268.357 -0.109 20 30 CBEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001331767213 886963600 /nfs/dbraw/zinc/96/36/00/886963600.db2.gz MNNOGXVUSXSTOQ-LLVKDONJSA-N 1 0 290.327 -0.444 20 30 CBEDRO N#CC1(C[C@H](O)C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC001331761710 886963740 /nfs/dbraw/zinc/96/37/40/886963740.db2.gz HCGZRQXYLRGLNZ-RYUDHWBXSA-N 1 0 253.346 -0.303 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC1CC(OCC)C1 ZINC001331773239 886970329 /nfs/dbraw/zinc/97/03/29/886970329.db2.gz CWPIFAIFXNLXOS-OTTFEQOBSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001331773374 886972529 /nfs/dbraw/zinc/97/25/29/886972529.db2.gz UWPVTTYYZRXUSP-GHMZBOCLSA-N 1 0 293.323 -0.160 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1c(C)nn(C)c1OC ZINC001331789334 886980401 /nfs/dbraw/zinc/98/04/01/886980401.db2.gz HOPXBQJGYRNJAN-NSHDSACASA-N 1 0 294.355 -0.559 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1scnc1COC ZINC001331802354 886988910 /nfs/dbraw/zinc/98/89/10/886988910.db2.gz BCOBVXUALAGOHW-JTQLQIEISA-N 1 0 297.380 -0.007 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]nc1C1CC1 ZINC001331803608 886989029 /nfs/dbraw/zinc/98/90/29/886989029.db2.gz FKBMDHYMIVMZOX-JTQLQIEISA-N 1 0 262.313 -0.399 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cccc2[nH]cnc21 ZINC001331807014 886993672 /nfs/dbraw/zinc/99/36/72/886993672.db2.gz YLKBOMSERPIAFB-JTQLQIEISA-N 1 0 272.308 -0.124 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1cncn1C ZINC001331823144 886996968 /nfs/dbraw/zinc/99/69/68/886996968.db2.gz CIXTYSGBWRGPFO-LLVKDONJSA-N 1 0 266.345 -0.395 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)c1cccnc1 ZINC001331826980 887000346 /nfs/dbraw/zinc/00/03/46/887000346.db2.gz WRYWGFQOMHXGPY-WCQYABFASA-N 1 0 261.325 -0.115 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001331827514 887000747 /nfs/dbraw/zinc/00/07/47/887000747.db2.gz ZPSJEQAQALFTNL-QWHCGFSZSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN(C)C1=O ZINC001331825633 887002548 /nfs/dbraw/zinc/00/25/48/887002548.db2.gz PQMIPDFYXJKSLL-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001331839130 887008104 /nfs/dbraw/zinc/00/81/04/887008104.db2.gz BNTHZVVADJFWFN-ZDUSSCGKSA-N 1 0 291.351 -0.419 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001331843770 887012177 /nfs/dbraw/zinc/01/21/77/887012177.db2.gz XVOCJYKYCYOBHJ-RUXDESIVSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CC[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC001331862285 887014642 /nfs/dbraw/zinc/01/46/42/887014642.db2.gz BWLSVHCACJSQKZ-NWDGAFQWSA-N 1 0 281.356 -0.403 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001331860384 887016021 /nfs/dbraw/zinc/01/60/21/887016021.db2.gz NLRWSYLMDOBNTR-CMPLNLGQSA-N 1 0 251.330 -0.323 20 30 CBEDRO C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cocn1 ZINC001331862339 887018604 /nfs/dbraw/zinc/01/86/04/887018604.db2.gz WZDHZYRZECPTAC-VHSXEESVSA-N 1 0 291.311 -0.493 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC001331879120 887024739 /nfs/dbraw/zinc/02/47/39/887024739.db2.gz OKAVCJRJUOLMOY-GHMZBOCLSA-N 1 0 291.355 -0.096 20 30 CBEDRO C=CCNC(=O)[C@H](C)n1cc(C[C@H]([NH3+])COC)nn1 ZINC001331875936 887026283 /nfs/dbraw/zinc/02/62/83/887026283.db2.gz YCOLOUTXIHDQSH-UWVGGRQHSA-N 1 0 267.333 -0.343 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC001331939294 887055819 /nfs/dbraw/zinc/05/58/19/887055819.db2.gz LWEDBKCVZYKRMY-NEPJUHHUSA-N 1 0 291.351 -0.262 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC001331951136 887058645 /nfs/dbraw/zinc/05/86/45/887058645.db2.gz RLIKFGXGRDCWBZ-AVGNSLFASA-N 1 0 295.383 -0.238 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C#CC(C)C)C1 ZINC001331975188 887071228 /nfs/dbraw/zinc/07/12/28/887071228.db2.gz GTDXXTGUICTJFV-NEPJUHHUSA-N 1 0 265.357 -0.029 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001331981829 887073869 /nfs/dbraw/zinc/07/38/69/887073869.db2.gz UGQOEZFDOFJNFF-NXEZZACHSA-N 1 0 252.318 -0.446 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001331981840 887074416 /nfs/dbraw/zinc/07/44/16/887074416.db2.gz UGQOEZFDOFJNFF-ZJUUUORDSA-N 1 0 252.318 -0.446 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001332016239 887084462 /nfs/dbraw/zinc/08/44/62/887084462.db2.gz RYCDMAZNMYYHBF-ZJUUUORDSA-N 1 0 262.317 -0.574 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046353 887093405 /nfs/dbraw/zinc/09/34/05/887093405.db2.gz GIIPWHVPWJQHIF-RYUDHWBXSA-N 1 0 291.351 -0.262 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CCC2=O)C1 ZINC001332046355 887094916 /nfs/dbraw/zinc/09/49/16/887094916.db2.gz GIIPWHVPWJQHIF-VXGBXAGGSA-N 1 0 291.351 -0.262 20 30 CBEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C#N)CC1 ZINC001332115379 887116373 /nfs/dbraw/zinc/11/63/73/887116373.db2.gz CSPDAIJISCFINW-KOLCDFICSA-N 1 0 264.329 -0.303 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332213612 887157128 /nfs/dbraw/zinc/15/71/28/887157128.db2.gz CAXXFPNKCLMCSA-LPWJVIDDSA-N 1 0 295.383 -0.063 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001332238312 887167432 /nfs/dbraw/zinc/16/74/32/887167432.db2.gz DSFUSQSSYHRHSR-GHMZBOCLSA-N 1 0 296.371 -0.962 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001332238315 887168034 /nfs/dbraw/zinc/16/80/34/887168034.db2.gz DSFUSQSSYHRHSR-QWRGUYRKSA-N 1 0 296.371 -0.962 20 30 CBEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001332279693 887181456 /nfs/dbraw/zinc/18/14/56/887181456.db2.gz IPEJBHKINBVJSO-RYUDHWBXSA-N 1 0 293.371 -0.358 20 30 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C=CC[NH2+]C1CC(N(C)C(=O)CCNC(N)=O)C1 ZINC001333141283 887540298 /nfs/dbraw/zinc/54/02/98/887540298.db2.gz YQGNBQPFGCDQMU-UHFFFAOYSA-N 1 0 254.334 -0.190 20 30 CBEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC001333161010 887546612 /nfs/dbraw/zinc/54/66/12/887546612.db2.gz HXQRTDZBIQKGIX-LLVKDONJSA-N 1 0 287.323 -0.094 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001333169808 887550439 /nfs/dbraw/zinc/55/04/39/887550439.db2.gz MEBHSHKBPILREV-GHMZBOCLSA-N 1 0 251.330 -0.479 20 30 CBEDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001333170498 887550518 /nfs/dbraw/zinc/55/05/18/887550518.db2.gz OWVYYKUUFSYZAW-LLVKDONJSA-N 1 0 266.345 -0.184 20 30 CBEDRO C#CCN(C(=O)C(=O)N[C@@H](C)COC)C1CC[NH+](C)CC1 ZINC001333218320 887564876 /nfs/dbraw/zinc/56/48/76/887564876.db2.gz AKMSFKUYJOZRBP-LBPRGKRZSA-N 1 0 295.383 -0.307 20 30 CBEDRO CC#CCCNC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC001333276668 887577836 /nfs/dbraw/zinc/57/78/36/887577836.db2.gz OIFMYFRHZLSISD-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333359007 887608126 /nfs/dbraw/zinc/60/81/26/887608126.db2.gz CAXXFPNKCLMCSA-NDBYEHHHSA-N 1 0 295.383 -0.063 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001333360812 887609981 /nfs/dbraw/zinc/60/99/81/887609981.db2.gz LOZRLPVQWSYIOZ-ZJUUUORDSA-N 1 0 255.318 -0.747 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333450485 887644709 /nfs/dbraw/zinc/64/47/09/887644709.db2.gz NDTALPZEZKTTOZ-SNVBAGLBSA-N 1 0 267.329 -0.909 20 30 CBEDRO C#CCN(CC#CC)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333451054 887645176 /nfs/dbraw/zinc/64/51/76/887645176.db2.gz QYYYQEABUWRZQN-UHFFFAOYSA-N 1 0 263.341 -0.285 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC001333499321 887664971 /nfs/dbraw/zinc/66/49/71/887664971.db2.gz ZVFBUAUGLISBDF-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)COC ZINC001333544619 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C#CC[C@@H](COC)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001348894522 890722904 /nfs/dbraw/zinc/72/29/04/890722904.db2.gz OWKZTTYFKOGCCN-KBPBESRZSA-N 1 0 296.415 -0.040 20 30 CBEDRO C#CC[C@H](COC)NC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001348894528 890723101 /nfs/dbraw/zinc/72/31/01/890723101.db2.gz OWKZTTYFKOGCCN-UONOGXRCSA-N 1 0 296.415 -0.040 20 30 CBEDRO C#CCN(CC#CC)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349064691 890754454 /nfs/dbraw/zinc/75/44/54/890754454.db2.gz KRXVJKDFACKSFS-UONOGXRCSA-N 1 0 259.353 -0.140 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC001349317882 890794672 /nfs/dbraw/zinc/79/46/72/890794672.db2.gz DNDIJVZWIGFJNO-AWEZNQCLSA-N 1 0 284.404 -0.761 20 30 CBEDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001349403504 890808399 /nfs/dbraw/zinc/80/83/99/890808399.db2.gz JXHJRWYZFZNAMJ-MPJCXMIRSA-N 1 0 292.339 -0.231 20 30 CBEDRO C=CC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)OCC ZINC001349434170 890815626 /nfs/dbraw/zinc/81/56/26/890815626.db2.gz JWUQDRHGBJHBSJ-AVGNSLFASA-N 1 0 295.383 -0.001 20 30 CBEDRO C#CCN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001349535041 890832409 /nfs/dbraw/zinc/83/24/09/890832409.db2.gz ZQKBSXVPYSSZQB-UHFFFAOYSA-N 1 0 277.328 -0.525 20 30 CBEDRO C[C@H](C#N)OCC[N@H+](CC(N)=O)C1CCOCC1 ZINC001349711049 890872003 /nfs/dbraw/zinc/87/20/03/890872003.db2.gz XNARFEOBMLGCTA-SNVBAGLBSA-N 1 0 255.318 -0.119 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349855893 890907934 /nfs/dbraw/zinc/90/79/34/890907934.db2.gz JWJYRDVNUBAWDM-UPJWGTAASA-N 1 0 293.367 -0.697 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001350063721 890930647 /nfs/dbraw/zinc/93/06/47/890930647.db2.gz SCKMVVDITQKXOV-SRVKXCTJSA-N 1 0 281.356 -0.357 20 30 CBEDRO COC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCOC1 ZINC001350092441 890936442 /nfs/dbraw/zinc/93/64/42/890936442.db2.gz JCTLLDOYQPTWGA-WDEREUQCSA-N 1 0 255.318 -0.343 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001449103055 913504969 /nfs/dbraw/zinc/50/49/69/913504969.db2.gz AYKRZQKLYPIXTE-JQWIXIFHSA-N 1 0 296.371 -0.824 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001350297251 890958281 /nfs/dbraw/zinc/95/82/81/890958281.db2.gz RZSKAEIZISAUFB-WDEREUQCSA-N 1 0 269.345 -0.309 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)NCCCN1C(=O)CNC1=O ZINC001350405382 890978749 /nfs/dbraw/zinc/97/87/49/890978749.db2.gz ONBXIVHRQSAXLL-UHFFFAOYSA-N 1 0 292.339 -0.953 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1nnc2n1CCNC2=O ZINC001350450353 890987244 /nfs/dbraw/zinc/98/72/44/890987244.db2.gz CCFLEVKHUFVYPV-UHFFFAOYSA-N 1 0 292.343 -0.902 20 30 CBEDRO C=CCC1(O)CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC001350582844 891011029 /nfs/dbraw/zinc/01/10/29/891011029.db2.gz HFMYHXJZRWRRNU-LBPRGKRZSA-N 1 0 266.341 -0.144 20 30 CBEDRO C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC001350635437 891020609 /nfs/dbraw/zinc/02/06/09/891020609.db2.gz OXFVHIGGGIRNKU-WDEREUQCSA-N 1 0 264.329 -0.431 20 30 CBEDRO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001350634885 891020274 /nfs/dbraw/zinc/02/02/74/891020274.db2.gz LMSHYKPZFKBNSY-LBPRGKRZSA-N 1 0 296.371 -0.557 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NC1CCN(CC(N)=O)CC1 ZINC001350828440 891053168 /nfs/dbraw/zinc/05/31/68/891053168.db2.gz FRUFMWOIBCURDB-UHFFFAOYSA-N 1 0 268.361 -0.830 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCC(O)(COCCO)CC1 ZINC001350925642 891067033 /nfs/dbraw/zinc/06/70/33/891067033.db2.gz CLNHRNJDFNFPCX-UHFFFAOYSA-N 1 0 286.372 -0.533 20 30 CBEDRO COCC#CC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC001350982055 891082763 /nfs/dbraw/zinc/08/27/63/891082763.db2.gz DDLYDFHBHRCMBI-RYUDHWBXSA-N 1 0 254.330 -0.450 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C#N)C[C@H]1[NH3+] ZINC001350975828 891083739 /nfs/dbraw/zinc/08/37/39/891083739.db2.gz OIMBFLXRIJCUOA-NXEZZACHSA-N 1 0 266.345 -0.200 20 30 CBEDRO COCC#CC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001351023561 891094221 /nfs/dbraw/zinc/09/42/21/891094221.db2.gz LZJGHQCICHLWNT-UHFFFAOYSA-N 1 0 295.383 -0.255 20 30 CBEDRO COCC#CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001351026180 891097026 /nfs/dbraw/zinc/09/70/26/891097026.db2.gz ZACFDTJIHAFTRA-UHFFFAOYSA-N 1 0 265.357 -0.658 20 30 CBEDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C[NH2+]1 ZINC001351534016 891148347 /nfs/dbraw/zinc/14/83/47/891148347.db2.gz MFLUWPKAEGIQEF-UWVGGRQHSA-N 1 0 290.327 -0.398 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC001351581156 891159170 /nfs/dbraw/zinc/15/91/70/891159170.db2.gz ZWKAHBZPCFWORK-QJPTWQEYSA-N 1 0 281.356 -0.344 20 30 CBEDRO COC[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001351646027 891168298 /nfs/dbraw/zinc/16/82/98/891168298.db2.gz QICVJXFYORZNAJ-WZRBSPASSA-N 1 0 266.345 -0.580 20 30 CBEDRO N#CCCCn1cc(CNC(=O)CN2CC[NH2+]CC2)nn1 ZINC001351748476 891181449 /nfs/dbraw/zinc/18/14/49/891181449.db2.gz ZHUZSKCVQBRZOQ-UHFFFAOYSA-N 1 0 291.359 -0.897 20 30 CBEDRO C#CCN(C(=O)c1ccc(=O)n(C)n1)C1CC[NH+](C)CC1 ZINC001351819020 891191643 /nfs/dbraw/zinc/19/16/43/891191643.db2.gz CZIXHLZPJPESCI-UHFFFAOYSA-N 1 0 288.351 -0.050 20 30 CBEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@](F)(C#N)C1)C2 ZINC001352095397 891225694 /nfs/dbraw/zinc/22/56/94/891225694.db2.gz YXFIZKDNYWAWLC-GDLCADMTSA-N 1 0 294.330 -0.482 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001352833925 891305491 /nfs/dbraw/zinc/30/54/91/891305491.db2.gz BPNNMMFCMVNWPK-QWHCGFSZSA-N 1 0 295.383 -0.142 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001352944030 891327923 /nfs/dbraw/zinc/32/79/23/891327923.db2.gz HHNHYIZUWUXQMU-MNOVXSKESA-N 1 0 266.345 -0.185 20 30 CBEDRO N#CCCOCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001352951355 891328998 /nfs/dbraw/zinc/32/89/98/891328998.db2.gz WQGWPVOEMXGABR-UHFFFAOYSA-N 1 0 255.318 -0.117 20 30 CBEDRO COCC[NH2+]CCc1cn(CCO[C@H](C)C#N)nn1 ZINC001352992370 891337982 /nfs/dbraw/zinc/33/79/82/891337982.db2.gz NLOPWEXAYMFMNM-LLVKDONJSA-N 1 0 267.333 -0.015 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001353135533 891365002 /nfs/dbraw/zinc/36/50/02/891365002.db2.gz ZBZRZRAIRVIJTH-NWDGAFQWSA-N 1 0 265.357 -0.041 20 30 CBEDRO N#CCc1cccc(NC(=O)CN2CC[NH2+]CC2)n1 ZINC001353147740 891367634 /nfs/dbraw/zinc/36/76/34/891367634.db2.gz CGJJMOGZXZPHBJ-UHFFFAOYSA-N 1 0 259.313 -0.009 20 30 CBEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001353147415 891368124 /nfs/dbraw/zinc/36/81/24/891368124.db2.gz DJAGZXABLJSHHH-GHMZBOCLSA-N 1 0 266.345 -0.280 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)OCCn2cnnn2)CC1 ZINC001353223316 891385653 /nfs/dbraw/zinc/38/56/53/891385653.db2.gz JMBIJVJPAVUFKX-UHFFFAOYSA-N 1 0 263.301 -0.439 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353263031 891386590 /nfs/dbraw/zinc/38/65/90/891386590.db2.gz XGEHXSLIHXNFGK-XYPYZODXSA-N 1 0 269.345 -0.451 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001353241080 891386908 /nfs/dbraw/zinc/38/69/08/891386908.db2.gz ZTKDYFHGALJVSU-HAQNSBGRSA-N 1 0 283.372 -0.061 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001353285815 891393019 /nfs/dbraw/zinc/39/30/19/891393019.db2.gz PALMEOBLTMWSFD-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC001353299036 891395112 /nfs/dbraw/zinc/39/51/12/891395112.db2.gz BQVFVIRUWZIQOB-WOPDTQHZSA-N 1 0 268.361 -0.693 20 30 CBEDRO C#CC[NH2+]CC(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC001353342985 891407899 /nfs/dbraw/zinc/40/78/99/891407899.db2.gz ZTQFFBMLLCGNME-SNVBAGLBSA-N 1 0 260.359 -0.509 20 30 CBEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(OCCOC)nn1 ZINC001353351267 891409699 /nfs/dbraw/zinc/40/96/99/891409699.db2.gz IGWCFSAJRMSTIJ-UHFFFAOYSA-N 1 0 292.339 -0.269 20 30 CBEDRO C=C[C@H](COC)NC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001353373118 891415376 /nfs/dbraw/zinc/41/53/76/891415376.db2.gz FIOVHENFHCICBD-VXGBXAGGSA-N 1 0 298.387 -0.051 20 30 CBEDRO C=C[C@@](C)(O)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001353379277 891417277 /nfs/dbraw/zinc/41/72/77/891417277.db2.gz BKCNIBYJWCMJGY-IACUBPJLSA-N 1 0 284.356 -0.735 20 30 CBEDRO C#CCOCCN(C)C(=O)C[NH+]1CCC(CO)CC1 ZINC001353520463 891440512 /nfs/dbraw/zinc/44/05/12/891440512.db2.gz JHXOVHLOSBQQBQ-UHFFFAOYSA-N 1 0 268.357 -0.201 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CN(C)C(=O)CN2)CC1 ZINC001353533844 891444080 /nfs/dbraw/zinc/44/40/80/891444080.db2.gz AXRLNQDTLZPFGX-LBPRGKRZSA-N 1 0 280.372 -0.817 20 30 CBEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001353942634 891490119 /nfs/dbraw/zinc/49/01/19/891490119.db2.gz GOZSFJZXSUBWPF-NSHDSACASA-N 1 0 282.344 -0.818 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001354358554 891570728 /nfs/dbraw/zinc/57/07/28/891570728.db2.gz OITQWBZDDPUVOM-ZDUSSCGKSA-N 1 0 292.360 -0.005 20 30 CBEDRO C#CCOCCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001354390978 891575114 /nfs/dbraw/zinc/57/51/14/891575114.db2.gz RAXHKDHJFIEIOT-CHWSQXEVSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]CC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC001354475882 891588143 /nfs/dbraw/zinc/58/81/43/891588143.db2.gz XDTZRCHNCBHWPI-GWCFXTLKSA-N 1 0 268.313 -0.612 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN2CCOC[C@@H]2C1 ZINC001354670658 891607333 /nfs/dbraw/zinc/60/73/33/891607333.db2.gz OKRJBYAWKLCPAD-AWEZNQCLSA-N 1 0 277.368 -0.468 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC001354988825 891633981 /nfs/dbraw/zinc/63/39/81/891633981.db2.gz CLCXVGGTIVXOED-LBPRGKRZSA-N 1 0 266.341 -0.258 20 30 CBEDRO C=C(CO)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001355163515 891656295 /nfs/dbraw/zinc/65/62/95/891656295.db2.gz CDYRKMKDKZCBEO-VXGBXAGGSA-N 1 0 254.330 -0.408 20 30 CBEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001355335448 891668473 /nfs/dbraw/zinc/66/84/73/891668473.db2.gz QNPXUJALAKVZGN-GUBZILKMSA-N 1 0 276.358 -0.221 20 30 CBEDRO C#CCOCCC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001355596559 891691968 /nfs/dbraw/zinc/69/19/68/891691968.db2.gz GARGEAHMYJJDHU-CYBMUJFWSA-N 1 0 295.383 -0.447 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001355870245 891713959 /nfs/dbraw/zinc/71/39/59/891713959.db2.gz WQCIKHYOURXBOB-LLVKDONJSA-N 1 0 266.345 -0.184 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC001356455871 891765632 /nfs/dbraw/zinc/76/56/32/891765632.db2.gz SXOYHFIVZIJSPD-ONGXEEELSA-N 1 0 264.329 -0.398 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC001356455866 891766552 /nfs/dbraw/zinc/76/65/52/891766552.db2.gz SXOYHFIVZIJSPD-GXSJLCMTSA-N 1 0 264.329 -0.398 20 30 CBEDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001356490903 891771999 /nfs/dbraw/zinc/77/19/99/891771999.db2.gz OYNBWIBARDIWSE-QWRGUYRKSA-N 1 0 278.356 -0.137 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCn1ccnn1 ZINC001356532141 891776923 /nfs/dbraw/zinc/77/69/23/891776923.db2.gz IULMWMKDZFIDEF-LLVKDONJSA-N 1 0 252.322 -0.926 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCN1C[C@H](C)OC[C@H]1C ZINC001356620231 891783570 /nfs/dbraw/zinc/78/35/70/891783570.db2.gz VZYLVAHKDNBGLE-OLZOCXBDSA-N 1 0 267.373 -0.175 20 30 CBEDRO C=CCOCC(=O)NC1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001356750288 891795189 /nfs/dbraw/zinc/79/51/89/891795189.db2.gz KJXQAYDKWJDWLJ-UHFFFAOYSA-N 1 0 283.372 -0.144 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCC(=O)Nc1ccncc1 ZINC001357391502 891882290 /nfs/dbraw/zinc/88/22/90/891882290.db2.gz ISBFYSGLGXYBFI-UHFFFAOYSA-N 1 0 260.297 -0.829 20 30 CBEDRO CC(=O)N[C@](C)(C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(C)C ZINC001357444505 891894143 /nfs/dbraw/zinc/89/41/43/891894143.db2.gz GRQXULPYTDBXQH-MDZLAQPJSA-N 1 0 266.345 -0.235 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(c2ccnc(C)n2)CC1 ZINC001357525831 891910547 /nfs/dbraw/zinc/91/05/47/891910547.db2.gz OYBWMSIOHFUWSM-UHFFFAOYSA-N 1 0 273.340 -0.344 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC001357570538 891914846 /nfs/dbraw/zinc/91/48/46/891914846.db2.gz LHXFRKIEXPTQQU-LBPRGKRZSA-N 1 0 281.356 -0.695 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1ncc(C(=O)OC)s1 ZINC001358131230 891976082 /nfs/dbraw/zinc/97/60/82/891976082.db2.gz OJPVOCRTWCYXSI-UHFFFAOYSA-N 1 0 267.310 -0.231 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001358156672 891980218 /nfs/dbraw/zinc/98/02/18/891980218.db2.gz OXHKTOAIVRQGNS-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCC#N ZINC001358228069 891981171 /nfs/dbraw/zinc/98/11/71/891981171.db2.gz MSVWOSLDPOYZQO-NSHDSACASA-N 1 0 266.345 -0.137 20 30 CBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001362210105 892504378 /nfs/dbraw/zinc/50/43/78/892504378.db2.gz RMAHYIGSCGMEAA-UPJWGTAASA-N 1 0 290.367 -0.089 20 30 CBEDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccnc(C#N)c1 ZINC001363132987 893389717 /nfs/dbraw/zinc/38/97/17/893389717.db2.gz FIAFMWTYYOQLSW-SMDDNHRTSA-N 1 0 285.351 -0.042 20 30 CBEDRO N#Cc1ncn(CCNC(=O)CC[N@H+]2CC[C@@H](F)C2)n1 ZINC001363167683 893423465 /nfs/dbraw/zinc/42/34/65/893423465.db2.gz JWFGZKVCLMGKBD-SNVBAGLBSA-N 1 0 280.307 -0.300 20 30 CBEDRO N#CCc1ccc(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001363302395 893560160 /nfs/dbraw/zinc/56/01/60/893560160.db2.gz ARURHHOEMBYKBS-STQMWFEESA-N 1 0 286.335 -0.229 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC001363790860 893995225 /nfs/dbraw/zinc/99/52/25/893995225.db2.gz DWYCGCHUKHSFGD-NXEZZACHSA-N 1 0 273.358 -0.596 20 30 CBEDRO N#Cc1cccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)c1F ZINC001363812271 894025451 /nfs/dbraw/zinc/02/54/51/894025451.db2.gz RCSVWPWFWICCDV-PHIMTYICSA-N 1 0 290.298 -0.284 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001451430002 913837898 /nfs/dbraw/zinc/83/78/98/913837898.db2.gz XYCNYLSTJGBPAR-WDEREUQCSA-N 1 0 296.371 -0.776 20 30 CBEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2nc(C#N)cs2)C1 ZINC001364345633 894355182 /nfs/dbraw/zinc/35/51/82/894355182.db2.gz HOOOOUPKMJQIQN-GFCCVEGCSA-N 1 0 295.368 -0.119 20 30 CBEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(S(N)(=O)=O)CC2)CC1 ZINC001364376086 894374108 /nfs/dbraw/zinc/37/41/08/894374108.db2.gz GVARCRFKBOGCAV-SNVBAGLBSA-N 1 0 287.385 -0.206 20 30 CBEDRO CNC(=O)CN1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001364496760 894457044 /nfs/dbraw/zinc/45/70/44/894457044.db2.gz ACOJNDOIQOZNOZ-ZDUSSCGKSA-N 1 0 294.399 -0.205 20 30 CBEDRO C[NH+](C)CCN1CCN(c2cnc(C#N)c(C#N)n2)CC1=O ZINC001364566156 894498837 /nfs/dbraw/zinc/49/88/37/894498837.db2.gz LOZWPZUIVPXZCS-UHFFFAOYSA-N 1 0 299.338 -0.570 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001365338643 894914291 /nfs/dbraw/zinc/91/42/91/894914291.db2.gz ODXHEYZXGOJEPS-UKRRQHHQSA-N 1 0 295.383 -0.580 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001365924817 895142247 /nfs/dbraw/zinc/14/22/47/895142247.db2.gz DSRSVVDMNOUBTA-RYUDHWBXSA-N 1 0 278.356 -0.041 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001366150643 895208879 /nfs/dbraw/zinc/20/88/79/895208879.db2.gz VAUOXXLAOFSKJV-TUAOUCFPSA-N 1 0 292.339 -0.256 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001366268363 895248335 /nfs/dbraw/zinc/24/83/35/895248335.db2.gz XKMMKJMGLFBCDX-SKDRFNHKSA-N 1 0 280.328 -0.398 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001366268362 895250068 /nfs/dbraw/zinc/25/00/68/895250068.db2.gz XKMMKJMGLFBCDX-CABZTGNLSA-N 1 0 280.328 -0.398 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC001366522443 895349936 /nfs/dbraw/zinc/34/99/36/895349936.db2.gz YBMURTWDWPHHCH-NEPJUHHUSA-N 1 0 296.371 -0.559 20 30 CBEDRO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001367029300 895537278 /nfs/dbraw/zinc/53/72/78/895537278.db2.gz YZRGFDMHCJOCDE-YPMHNXCESA-N 1 0 292.339 -0.302 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001367575471 895674554 /nfs/dbraw/zinc/67/45/54/895674554.db2.gz QGMJIMGJTJKMOX-SNVBAGLBSA-N 1 0 277.752 -0.716 20 30 CBEDRO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N)ncn1 ZINC001367588511 895687855 /nfs/dbraw/zinc/68/78/55/895687855.db2.gz XQJGGKKSEUXUIJ-BXKDBHETSA-N 1 0 277.328 -0.489 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001367597330 895691100 /nfs/dbraw/zinc/69/11/00/895691100.db2.gz FOCGUUWPYMROLQ-NXEZZACHSA-N 1 0 289.763 -0.574 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001367620299 895709024 /nfs/dbraw/zinc/70/90/24/895709024.db2.gz SKZXPMXUZAGDJR-SECBINFHSA-N 1 0 272.736 -0.229 20 30 CBEDRO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001367636973 895718984 /nfs/dbraw/zinc/71/89/84/895718984.db2.gz FNIXKBGSKXFKKD-SKDRFNHKSA-N 1 0 289.339 -0.127 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367664932 895736585 /nfs/dbraw/zinc/73/65/85/895736585.db2.gz QTDSSDZZNCXJNX-NXEZZACHSA-N 1 0 289.763 -0.526 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001368469697 896019324 /nfs/dbraw/zinc/01/93/24/896019324.db2.gz IYABDAIKSBKYQT-YFKTTZPYSA-N 1 0 278.356 -0.091 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368528527 896029451 /nfs/dbraw/zinc/02/94/51/896029451.db2.gz VBEDGRQOZJIGDR-PWSUYJOCSA-N 1 0 294.355 -0.758 20 30 CBEDRO N#Cc1cc(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001368806520 896087896 /nfs/dbraw/zinc/08/78/96/896087896.db2.gz JDYPBSCDTMIKEW-UHFFFAOYSA-N 1 0 275.312 -0.530 20 30 CBEDRO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001368895497 896107010 /nfs/dbraw/zinc/10/70/10/896107010.db2.gz KEBZZLYSMJWLEJ-NSHDSACASA-N 1 0 296.371 -0.823 20 30 CBEDRO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)[C@@H]1CCNC1=O ZINC001368937449 896115734 /nfs/dbraw/zinc/11/57/34/896115734.db2.gz LAGWSAKRSNWRNU-BXKDBHETSA-N 1 0 289.339 -0.175 20 30 CBEDRO COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001368938297 896116739 /nfs/dbraw/zinc/11/67/39/896116739.db2.gz LZJXOKMMPZZPAV-PWSUYJOCSA-N 1 0 294.355 -0.056 20 30 CBEDRO N#Cc1cc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)c[nH]1 ZINC001369169345 896165764 /nfs/dbraw/zinc/16/57/64/896165764.db2.gz JDYPBSCDTMIKEW-CZMCAQCFSA-N 1 0 275.312 -0.530 20 30 CBEDRO CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)c1ccc(C#N)[nH]1 ZINC001369328488 896217048 /nfs/dbraw/zinc/21/70/48/896217048.db2.gz ZFZMWKUCSZPONU-GXSJLCMTSA-N 1 0 280.328 -0.398 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001370354326 896418842 /nfs/dbraw/zinc/41/88/42/896418842.db2.gz CLCTXNNYUSTBSX-NWDGAFQWSA-N 1 0 292.339 -0.302 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001370354121 896420786 /nfs/dbraw/zinc/42/07/86/896420786.db2.gz CRDWQEWOVGDNTJ-UWVGGRQHSA-N 1 0 273.358 -0.619 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001370442226 896430266 /nfs/dbraw/zinc/43/02/66/896430266.db2.gz HEFLKQCKMQZPOF-GUBZILKMSA-N 1 0 273.358 -0.573 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001370727631 896490153 /nfs/dbraw/zinc/49/01/53/896490153.db2.gz SXSYSADICMPQGT-CMPLNLGQSA-N 1 0 296.371 -0.919 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]21 ZINC001371001304 896532693 /nfs/dbraw/zinc/53/26/93/896532693.db2.gz OVEHMJOWRMKVFX-RPLXWKFWSA-N 1 0 290.367 -0.140 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001371501730 896624141 /nfs/dbraw/zinc/62/41/41/896624141.db2.gz SKHPNFPQKZIVAL-ZJUUUORDSA-N 1 0 291.311 -0.037 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001372039548 896716161 /nfs/dbraw/zinc/71/61/61/896716161.db2.gz VIQTWWGNFHAAQE-IJLUTSLNSA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001372297140 896767177 /nfs/dbraw/zinc/76/71/77/896767177.db2.gz BSCJQTMRRQZRDC-VXGBXAGGSA-N 1 0 278.356 -0.041 20 30 CBEDRO CC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)C[C@H](O)COC ZINC001372293235 896769060 /nfs/dbraw/zinc/76/90/60/896769060.db2.gz DOQCRMRQSJWFAN-LBPRGKRZSA-N 1 0 294.355 -0.055 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001372593662 896817319 /nfs/dbraw/zinc/81/73/19/896817319.db2.gz JQYMYNYQWFCGFO-VXGBXAGGSA-N 1 0 293.371 -0.391 20 30 CBEDRO CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001373741884 897111815 /nfs/dbraw/zinc/11/18/15/897111815.db2.gz LJBMLGNXWOIMME-DTWKUNHWSA-N 1 0 277.328 -0.142 20 30 CBEDRO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001374478239 897234119 /nfs/dbraw/zinc/23/41/19/897234119.db2.gz CUIOQSGUKJDONN-GFCCVEGCSA-N 1 0 294.355 -0.103 20 30 CBEDRO COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N)nn1 ZINC001374589909 897287610 /nfs/dbraw/zinc/28/76/10/897287610.db2.gz JJLBPURFJDQSRB-GXSJLCMTSA-N 1 0 293.327 -0.788 20 30 CBEDRO COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)on1 ZINC001374589070 897288417 /nfs/dbraw/zinc/28/84/17/897288417.db2.gz HGLVWTXODIVDKU-IUCAKERBSA-N 1 0 282.300 -0.590 20 30 CBEDRO COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1 ZINC001374589920 897289127 /nfs/dbraw/zinc/28/91/27/897289127.db2.gz JJLBPURFJDQSRB-ONGXEEELSA-N 1 0 293.327 -0.788 20 30 CBEDRO CC[C@H](C[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1)OC ZINC001374591978 897290449 /nfs/dbraw/zinc/29/04/49/897290449.db2.gz DFETVCJDSWTGTP-NWDGAFQWSA-N 1 0 294.355 -0.008 20 30 CBEDRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)nn1C ZINC001374591397 897293289 /nfs/dbraw/zinc/29/32/89/897293289.db2.gz QRAFFQPZQYFHSS-CABZTGNLSA-N 1 0 279.344 -0.545 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001374616597 897310727 /nfs/dbraw/zinc/31/07/27/897310727.db2.gz RGSNOBANUGILCZ-VHSXEESVSA-N 1 0 289.763 -0.668 20 30 CBEDRO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)c1ccc(C#N)[nH]1 ZINC001374712987 897352449 /nfs/dbraw/zinc/35/24/49/897352449.db2.gz PZZXOQHXFKUQRI-NSHDSACASA-N 1 0 289.339 -0.173 20 30 CBEDRO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)c1c[nH]c(C#N)c1 ZINC001374713747 897355050 /nfs/dbraw/zinc/35/50/50/897355050.db2.gz UYRGEIHURYASBP-GFCCVEGCSA-N 1 0 289.339 -0.173 20 30 CBEDRO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001374742152 897368568 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COC[C@H](O)C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001377961105 898180682 /nfs/dbraw/zinc/18/06/82/898180682.db2.gz ZHQUECORESFDIT-GFCCVEGCSA-N 1 0 292.339 -0.445 20 30 CBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001378564457 898355940 /nfs/dbraw/zinc/35/59/40/898355940.db2.gz YBMUGOASWYODHQ-IUCAKERBSA-N 1 0 280.332 -0.890 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)NC(N)=O ZINC001378968611 898438110 /nfs/dbraw/zinc/43/81/10/898438110.db2.gz QQQANQZJRZSNII-DTWKUNHWSA-N 1 0 283.332 -0.929 20 30 CBEDRO COCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001379157937 898477961 /nfs/dbraw/zinc/47/79/61/898477961.db2.gz GLEGWACNMYTUCL-GFCCVEGCSA-N 1 0 295.314 -0.090 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N)cn1 ZINC001379189899 898496097 /nfs/dbraw/zinc/49/60/97/898496097.db2.gz OXSCDHJGVGZSGF-BXKDBHETSA-N 1 0 277.328 -0.489 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cn1 ZINC001379191777 898497048 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CBEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001390526768 900183237 /nfs/dbraw/zinc/18/32/37/900183237.db2.gz BHBCKGJEMBVAJL-IUCAKERBSA-N 1 0 295.792 -0.475 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001390706249 900212288 /nfs/dbraw/zinc/21/22/88/900212288.db2.gz PWMXLJGGACGGQA-DTWKUNHWSA-N 1 0 274.752 -0.095 20 30 CBEDRO COC[C@H](O)C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001391473584 900390988 /nfs/dbraw/zinc/39/09/88/900390988.db2.gz UOIOLJULNPPCNQ-CYBMUJFWSA-N 1 0 292.339 -0.445 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cn1cnnn1 ZINC001391657299 900425473 /nfs/dbraw/zinc/42/54/73/900425473.db2.gz JSERIWZBNGDSJG-VIFPVBQESA-N 1 0 272.740 -0.090 20 30 CBEDRO CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]CC(=O)NC ZINC001391674660 900428732 /nfs/dbraw/zinc/42/87/32/900428732.db2.gz BXDLJOTUTVZMGL-JTQLQIEISA-N 1 0 277.328 -0.270 20 30 CBEDRO C[C@@H](CNC(=O)[C@@H](C)C#N)C[NH2+]CC(=O)N1CCOCC1 ZINC001391879582 900456468 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C[C@H](C#N)C(=O)N[C@H](C[NH2+]CC(=O)NC1CC1)C1CC1 ZINC001392773167 900720614 /nfs/dbraw/zinc/72/06/14/900720614.db2.gz QCMOWKHERLFWKV-BXKDBHETSA-N 1 0 278.356 -0.091 20 30 CBEDRO CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H](C)C#N)CC1 ZINC001392891231 900750921 /nfs/dbraw/zinc/75/09/21/900750921.db2.gz ZTXLSADUZROCOG-IUCAKERBSA-N 1 0 295.343 -0.771 20 30 CBEDRO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393399391 900852600 /nfs/dbraw/zinc/85/26/00/900852600.db2.gz NOKGEQAHRYVHGD-KOLCDFICSA-N 1 0 289.339 -0.331 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001394093033 900970990 /nfs/dbraw/zinc/97/09/90/900970990.db2.gz POWWCOXOTJPKKH-LLVKDONJSA-N 1 0 290.367 -0.089 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001394366368 901020447 /nfs/dbraw/zinc/02/04/47/901020447.db2.gz HUWUYJTZEKWFIC-HOMQSWHASA-N 1 0 289.339 -0.270 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001394484015 901037625 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C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001480597141 916488835 /nfs/dbraw/zinc/48/88/35/916488835.db2.gz ZOHZHIRCDNIBEG-CHWSQXEVSA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001480610449 916490664 /nfs/dbraw/zinc/49/06/64/916490664.db2.gz XCLAKIUFLJUPET-ZJUUUORDSA-N 1 0 287.310 -0.030 20 30 CBEDRO Cc1nc[nH]c1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001480604944 916492668 /nfs/dbraw/zinc/49/26/68/916492668.db2.gz TVUVRJJPYFEARI-MRVPVSSYSA-N 1 0 278.316 -0.934 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001480611563 916495066 /nfs/dbraw/zinc/49/50/66/916495066.db2.gz VEFXJZFDDFFJQI-QWRGUYRKSA-N 1 0 291.355 -0.096 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC001480615474 916497275 /nfs/dbraw/zinc/49/72/75/916497275.db2.gz OZCGVUJFHHPJFI-LBPRGKRZSA-N 1 0 299.396 -0.764 20 30 CBEDRO COC1CC(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480616740 916497659 /nfs/dbraw/zinc/49/76/59/916497659.db2.gz 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CBEDRO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001481495374 916851122 /nfs/dbraw/zinc/85/11/22/916851122.db2.gz KAYVBSWTBAONIT-STQMWFEESA-N 1 0 277.368 -0.074 20 30 CBEDRO C=CCOCC[NH+]1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001481611494 916913171 /nfs/dbraw/zinc/91/31/71/916913171.db2.gz FOKOTRLIZXQPIK-LLVKDONJSA-N 1 0 283.372 -0.238 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC1C[NH+](C[C@@H](O)COC)C1 ZINC001481624685 916923091 /nfs/dbraw/zinc/92/30/91/916923091.db2.gz FJZSEJOUGFNTKZ-WCQYABFASA-N 1 0 284.356 -0.920 20 30 CBEDRO CC#CC[N@H+]1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001481689516 916949162 /nfs/dbraw/zinc/94/91/62/916949162.db2.gz OENRDGJJCREJGB-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCCCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001481701034 916958691 /nfs/dbraw/zinc/95/86/91/916958691.db2.gz NAGHXJZWNONEQB-CHWSQXEVSA-N 1 0 268.357 -0.012 20 30 CBEDRO COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001481699645 916962061 /nfs/dbraw/zinc/96/20/61/916962061.db2.gz 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C#CC[NH2+][C@H](CC)CNC(=O)[C@]1(C)CCNC1=O ZINC001481851581 917008835 /nfs/dbraw/zinc/00/88/35/917008835.db2.gz WCSNCCFSXHZRLY-ZWNOBZJWSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CC[NH2+][C@H](CC)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001481859708 917008873 /nfs/dbraw/zinc/00/88/73/917008873.db2.gz JBVFJFNHJBAMON-SNVBAGLBSA-N 1 0 267.329 -0.290 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001481869094 917012803 /nfs/dbraw/zinc/01/28/03/917012803.db2.gz ILQPSBSHOFJKCH-LLVKDONJSA-N 1 0 294.355 -0.612 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001481897169 917015629 /nfs/dbraw/zinc/01/56/29/917015629.db2.gz QBSKYHSGLMAPKA-NSHDSACASA-N 1 0 281.356 -0.471 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001481881030 917017104 /nfs/dbraw/zinc/01/71/04/917017104.db2.gz IRUHCTXPTBKOCS-WDEREUQCSA-N 1 0 272.370 -0.319 20 30 CBEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001481892413 917017614 /nfs/dbraw/zinc/01/76/14/917017614.db2.gz RWZUVLRWPLZTSL-SECBINFHSA-N 1 0 295.343 -0.640 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001481885119 917017968 /nfs/dbraw/zinc/01/79/68/917017968.db2.gz MRHLVRFKLVZTHY-UWVGGRQHSA-N 1 0 265.313 -0.843 20 30 CBEDRO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001481936668 917024378 /nfs/dbraw/zinc/02/43/78/917024378.db2.gz FBGLFEGHWAMVBA-SWLSCSKDSA-N 1 0 292.383 -0.092 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)OC ZINC001482054502 917034545 /nfs/dbraw/zinc/03/45/45/917034545.db2.gz NJAZEXBNKDLBMP-RWMBFGLXSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482066870 917038073 /nfs/dbraw/zinc/03/80/73/917038073.db2.gz UOWNBQNIMNTNOF-VXGBXAGGSA-N 1 0 299.396 -0.718 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001482092167 917047927 /nfs/dbraw/zinc/04/79/27/917047927.db2.gz POFAOVGSHJXYSV-QWHCGFSZSA-N 1 0 295.383 -0.496 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001482092349 917048893 /nfs/dbraw/zinc/04/88/93/917048893.db2.gz XSVFWFXLJPKKEQ-ZJUUUORDSA-N 1 0 297.359 -0.666 20 30 CBEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]CC(=O)N(C)C ZINC001482094134 917050755 /nfs/dbraw/zinc/05/07/55/917050755.db2.gz LKPHBSLSRGBYGJ-JTQLQIEISA-N 1 0 291.355 -0.070 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001482095345 917052148 /nfs/dbraw/zinc/05/21/48/917052148.db2.gz HSJAMLGZYWKYJJ-SMDDNHRTSA-N 1 0 295.387 -0.016 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001482094958 917053442 /nfs/dbraw/zinc/05/34/42/917053442.db2.gz COYBPJMMEQZFMM-RISCZKNCSA-N 1 0 295.387 -0.016 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CNC(=O)NC ZINC001482109116 917054338 /nfs/dbraw/zinc/05/43/38/917054338.db2.gz CYSRSWMTSVOEPJ-JTQLQIEISA-N 1 0 254.334 -0.719 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482110936 917056099 /nfs/dbraw/zinc/05/60/99/917056099.db2.gz RERWRVXJPIPZDC-VXGBXAGGSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@]1(CC)CCNC1=O ZINC001482110723 917056130 /nfs/dbraw/zinc/05/61/30/917056130.db2.gz URUSTDUUWVYMFB-SMDDNHRTSA-N 1 0 265.357 -0.122 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001482150244 917066290 /nfs/dbraw/zinc/06/62/90/917066290.db2.gz RVDREFSWRJUXNW-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001482170459 917070205 /nfs/dbraw/zinc/07/02/05/917070205.db2.gz YGFBWJOQJQIHOI-JTQLQIEISA-N 1 0 289.339 -0.446 20 30 CBEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001482159249 917071157 /nfs/dbraw/zinc/07/11/57/917071157.db2.gz UTDARCMUJHNJIQ-NSHDSACASA-N 1 0 296.371 -0.154 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc[nH]1 ZINC001482256473 917100243 /nfs/dbraw/zinc/10/02/43/917100243.db2.gz ZWCIORRBXBWZMP-LLVKDONJSA-N 1 0 276.340 -0.186 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccnn1C ZINC001482261776 917104810 /nfs/dbraw/zinc/10/48/10/917104810.db2.gz VOQGIPPMJDPDHP-LLVKDONJSA-N 1 0 293.371 -0.228 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCOC1 ZINC001482265779 917104939 /nfs/dbraw/zinc/10/49/39/917104939.db2.gz RCWBTCLTSYBYIW-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=CCOCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001482264860 917105190 /nfs/dbraw/zinc/10/51/90/917105190.db2.gz LFSDMAWELJLMPH-NSHDSACASA-N 1 0 281.360 -0.046 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1=CCOCC1 ZINC001482275652 917108201 /nfs/dbraw/zinc/10/82/01/917108201.db2.gz LKERKAKYFBBPEZ-LBPRGKRZSA-N 1 0 293.367 -0.481 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482269500 917110261 /nfs/dbraw/zinc/11/02/61/917110261.db2.gz PFIMKAWGHGPNAW-OLZOCXBDSA-N 1 0 267.373 -0.223 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001482283930 917112373 /nfs/dbraw/zinc/11/23/73/917112373.db2.gz RWGDHHYGIOYMLM-VIFPVBQESA-N 1 0 272.740 -0.138 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001482289285 917116531 /nfs/dbraw/zinc/11/65/31/917116531.db2.gz JWMORZZUVZHNFK-OLZOCXBDSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)CC ZINC001482286577 917116574 /nfs/dbraw/zinc/11/65/74/917116574.db2.gz RXQQMYNOLRSSPT-MNOVXSKESA-N 1 0 253.346 -0.029 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001482301855 917118231 /nfs/dbraw/zinc/11/82/31/917118231.db2.gz VYHSRTNEIKSMQH-SECBINFHSA-N 1 0 299.352 -0.390 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001482308085 917121624 /nfs/dbraw/zinc/12/16/24/917121624.db2.gz SYYQUDIXSCKGPE-NSHDSACASA-N 1 0 292.339 -0.591 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482317859 917121841 /nfs/dbraw/zinc/12/18/41/917121841.db2.gz SOOOSAQJFGZZHE-NEPJUHHUSA-N 1 0 296.371 -0.904 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cnn(C)n1 ZINC001482342532 917130925 /nfs/dbraw/zinc/13/09/25/917130925.db2.gz GYRQEIZAIHIFRR-JTQLQIEISA-N 1 0 294.359 -0.833 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482362680 917133891 /nfs/dbraw/zinc/13/38/91/917133891.db2.gz XSDLSIZHLSSHCG-UWVGGRQHSA-N 1 0 280.328 -0.956 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001482362859 917134413 /nfs/dbraw/zinc/13/44/13/917134413.db2.gz SCIHPIDEKTXUJB-LLVKDONJSA-N 1 0 291.417 -0.110 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001482361442 917135963 /nfs/dbraw/zinc/13/59/63/917135963.db2.gz IZYIMMQHAUGMKI-LLVKDONJSA-N 1 0 293.371 -0.650 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482362683 917136704 /nfs/dbraw/zinc/13/67/04/917136704.db2.gz XSDLSIZHLSSHCG-ZJUUUORDSA-N 1 0 280.328 -0.956 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1ccnc1 ZINC001482376490 917140671 /nfs/dbraw/zinc/14/06/71/917140671.db2.gz ZTYKZMKABOWYRM-ZDUSSCGKSA-N 1 0 278.356 -0.031 20 30 CBEDRO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001482382337 917140962 /nfs/dbraw/zinc/14/09/62/917140962.db2.gz HFPLACSEAPUTEZ-QWRGUYRKSA-N 1 0 268.361 -0.203 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001482411628 917144214 /nfs/dbraw/zinc/14/42/14/917144214.db2.gz FIEZBJVNXBTASL-YPMHNXCESA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)COC ZINC001482482181 917150517 /nfs/dbraw/zinc/15/05/17/917150517.db2.gz NEOGUMUHQPKFBO-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001482531343 917154195 /nfs/dbraw/zinc/15/41/95/917154195.db2.gz KUPWLHZFLXTPTF-NSHDSACASA-N 1 0 266.349 -0.020 20 30 CBEDRO CNC(=O)NCC(=O)NC[C@@H]([NH2+]CC#CCOC)C(C)C ZINC001482532321 917155359 /nfs/dbraw/zinc/15/53/59/917155359.db2.gz KIPYPRXKUKHWNF-GFCCVEGCSA-N 1 0 298.387 -0.704 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CCS(C)(=O)=O)C(C)C ZINC001482537488 917158935 /nfs/dbraw/zinc/15/89/35/917158935.db2.gz 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917202344 /nfs/dbraw/zinc/20/23/44/917202344.db2.gz KKBMQKVIRXOWHH-NEPJUHHUSA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482712192 917213742 /nfs/dbraw/zinc/21/37/42/917213742.db2.gz BDYWNSDIDGQSJQ-LLVKDONJSA-N 1 0 269.345 -0.748 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ncoc1C ZINC001482712526 917217517 /nfs/dbraw/zinc/21/75/17/917217517.db2.gz MWJMYHOPILWFBX-SNVBAGLBSA-N 1 0 251.286 -0.313 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1=COCCC1 ZINC001482713395 917219052 /nfs/dbraw/zinc/21/90/52/917219052.db2.gz MIJMSSISGIPMMV-LBPRGKRZSA-N 1 0 297.355 -0.950 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C#N)o1 ZINC001482715881 917222026 /nfs/dbraw/zinc/22/20/26/917222026.db2.gz JQOQCLWTIBBLKN-WCBMZHEXSA-N 1 0 266.301 -0.291 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001482716875 917222905 /nfs/dbraw/zinc/22/29/05/917222905.db2.gz SKCWGVBPDWSHSJ-ZYHUDNBSSA-N 1 0 279.344 -0.811 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001482722386 917226474 /nfs/dbraw/zinc/22/64/74/917226474.db2.gz MEDFIPHREPGVHS-LLVKDONJSA-N 1 0 291.779 -0.862 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001482722271 917226710 /nfs/dbraw/zinc/22/67/10/917226710.db2.gz KVICBUOGMLXQJU-JSGCOSHPSA-N 1 0 268.357 -0.373 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)o1 ZINC001482725651 917230602 /nfs/dbraw/zinc/23/06/02/917230602.db2.gz LPZFDUZZTMQAMC-BXUZGUMPSA-N 1 0 297.355 -0.123 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482724931 917232385 /nfs/dbraw/zinc/23/23/85/917232385.db2.gz DOXFLACDPNKABL-STQMWFEESA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCOCCC(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001482727581 917234887 /nfs/dbraw/zinc/23/48/87/917234887.db2.gz BSYZJCSKDDLPJZ-GFCCVEGCSA-N 1 0 252.314 -0.884 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC)n1 ZINC001482727299 917235096 /nfs/dbraw/zinc/23/50/96/917235096.db2.gz ODFUHFLWPXJDJO-NSHDSACASA-N 1 0 281.360 -0.056 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482730377 917237706 /nfs/dbraw/zinc/23/77/06/917237706.db2.gz XQHIKHRNEFGRPZ-MNOVXSKESA-N 1 0 292.763 -0.389 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001482728858 917239158 /nfs/dbraw/zinc/23/91/58/917239158.db2.gz WYZYQJDYKQKFDF-CYBMUJFWSA-N 1 0 278.356 -0.354 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001482733383 917243549 /nfs/dbraw/zinc/24/35/49/917243549.db2.gz DASXFRZFCUXZID-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001482733678 917244387 /nfs/dbraw/zinc/24/43/87/917244387.db2.gz GTUZNNNHLCYLSF-CYBMUJFWSA-N 1 0 278.356 -0.557 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001482737053 917244838 /nfs/dbraw/zinc/24/48/38/917244838.db2.gz DUIOEBVQKWBFOJ-VIFPVBQESA-N 1 0 276.300 -0.781 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001482743687 917246087 /nfs/dbraw/zinc/24/60/87/917246087.db2.gz HFOXKGVRIBUJOA-ZDUSSCGKSA-N 1 0 279.315 -0.147 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001482745630 917246798 /nfs/dbraw/zinc/24/67/98/917246798.db2.gz TVLJJPVTTZYMAY-QWRGUYRKSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001482744345 917247930 /nfs/dbraw/zinc/24/79/30/917247930.db2.gz SXUFDTTVOMVZQF-WDEREUQCSA-N 1 0 269.345 -0.893 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001482752715 917251349 /nfs/dbraw/zinc/25/13/49/917251349.db2.gz MDIMBCGFKWKYNC-VNHYZAJKSA-N 1 0 280.368 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1coc(OC)n1 ZINC001482754855 917251401 /nfs/dbraw/zinc/25/14/01/917251401.db2.gz JEQIVGFPFROZQZ-VIFPVBQESA-N 1 0 267.285 -0.613 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001482753130 917251783 /nfs/dbraw/zinc/25/17/83/917251783.db2.gz QSELUDYGDKVQAY-LALPHHSUSA-N 1 0 295.383 -0.455 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O)cc1 ZINC001482755334 917252185 /nfs/dbraw/zinc/25/21/85/917252185.db2.gz FTVMORSEHYNKRX-GWCFXTLKSA-N 1 0 289.335 -0.778 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001482755318 917252349 /nfs/dbraw/zinc/25/23/49/917252349.db2.gz FKMJEDWFKLOZAX-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO CC[C@@H](F)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001482757828 917255469 /nfs/dbraw/zinc/25/54/69/917255469.db2.gz RFBYJQUMQXDBFX-GHMZBOCLSA-N 1 0 260.309 -0.549 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCN(C)C1=O ZINC001482759896 917258058 /nfs/dbraw/zinc/25/80/58/917258058.db2.gz DGNKGEXFJQZRAF-GHMZBOCLSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001482760472 917260525 /nfs/dbraw/zinc/26/05/25/917260525.db2.gz ASGFIONMTIAXLN-LBPRGKRZSA-N 1 0 277.324 -0.580 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+]CCCO)c1 ZINC001482766045 917262820 /nfs/dbraw/zinc/26/28/20/917262820.db2.gz IGVGDOPQJCQKLA-CYBMUJFWSA-N 1 0 277.324 -0.874 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001482773086 917266124 /nfs/dbraw/zinc/26/61/24/917266124.db2.gz LVJBDRZIYXQUTK-VXGBXAGGSA-N 1 0 264.329 -0.466 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001482770352 917266906 /nfs/dbraw/zinc/26/69/06/917266906.db2.gz QGXXCTBPKLMMEN-QJPTWQEYSA-N 1 0 278.356 -0.224 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001482772831 917267631 /nfs/dbraw/zinc/26/76/31/917267631.db2.gz JIKLHQFHVLXHRN-JTQLQIEISA-N 1 0 270.720 -0.764 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001482780459 917280094 /nfs/dbraw/zinc/28/00/94/917280094.db2.gz AVPGVGURTRMCDC-GXTWGEPZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Oc1ccccn1 ZINC001482788490 917283606 /nfs/dbraw/zinc/28/36/06/917283606.db2.gz ZNAGVZOGSPJINM-CHWSQXEVSA-N 1 0 291.351 -0.061 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482793130 917285909 /nfs/dbraw/zinc/28/59/09/917285909.db2.gz CJUJRUNQHMFSBK-NSHDSACASA-N 1 0 263.297 -0.509 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001482792157 917286214 /nfs/dbraw/zinc/28/62/14/917286214.db2.gz GIMXWDGPLXYCLY-QWHCGFSZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc(COC)s1 ZINC001482799480 917289830 /nfs/dbraw/zinc/28/98/30/917289830.db2.gz PDOAFMSLYGQTAS-JTQLQIEISA-N 1 0 297.380 -0.007 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1csc(COC)n1 ZINC001482798156 917290115 /nfs/dbraw/zinc/29/01/15/917290115.db2.gz BFPBKUMRTBMFTH-SNVBAGLBSA-N 1 0 297.380 -0.007 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1c(C)c(C)sc1=O ZINC001482799135 917291044 /nfs/dbraw/zinc/29/10/44/917291044.db2.gz NKMLRGZXALCIRX-LLVKDONJSA-N 1 0 297.380 -0.773 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001482799506 917291263 /nfs/dbraw/zinc/29/12/63/917291263.db2.gz PLETUKQZWJLIJV-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(OCC)cn1 ZINC001482798576 917291694 /nfs/dbraw/zinc/29/16/94/917291694.db2.gz FIEDMWDXGQRPOY-LLVKDONJSA-N 1 0 292.339 -0.421 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001482798918 917292670 /nfs/dbraw/zinc/29/26/70/917292670.db2.gz ISSBIEQXTGUREZ-RYUDHWBXSA-N 1 0 298.387 -0.438 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1csc(COC)n1 ZINC001482802917 917295734 /nfs/dbraw/zinc/29/57/34/917295734.db2.gz XSPHHZKJWXYIMI-VIFPVBQESA-N 1 0 283.353 -0.397 20 30 CBEDRO C[C@H](CC[NH2+]Cc1ncnn1C)NC(=O)[C@@H](C)C#N ZINC001482818284 917300898 /nfs/dbraw/zinc/30/08/98/917300898.db2.gz MPFPOXCBKPCAOG-VHSXEESVSA-N 1 0 264.333 -0.041 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001482818241 917302402 /nfs/dbraw/zinc/30/24/02/917302402.db2.gz LVGAQCHLEWICMD-UWVGGRQHSA-N 1 0 254.334 -0.281 20 30 CBEDRO CNC(=O)NCCC(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001482830799 917307259 /nfs/dbraw/zinc/30/72/59/917307259.db2.gz ZSRVYEWLICECPQ-LBPRGKRZSA-N 1 0 298.387 -0.560 20 30 CBEDRO 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COCCC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001484911362 917961563 /nfs/dbraw/zinc/96/15/63/917961563.db2.gz MAYAQPCFHQONGZ-UHFFFAOYSA-N 1 0 296.371 -0.367 20 30 CBEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)NC)C[C@@H]1C ZINC001484906761 917961920 /nfs/dbraw/zinc/96/19/20/917961920.db2.gz NLCJICWDAJGDJK-WDEREUQCSA-N 1 0 289.401 -0.452 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)c2cnn(C)c2N)CC1 ZINC001484953697 917969132 /nfs/dbraw/zinc/96/91/32/917969132.db2.gz PUVZWAFITBLOIE-UHFFFAOYSA-N 1 0 291.355 -0.808 20 30 CBEDRO C#CCCCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001484953007 917969784 /nfs/dbraw/zinc/96/97/84/917969784.db2.gz FUTXXVNXSWSSBM-UHFFFAOYSA-N 1 0 281.356 -0.782 20 30 CBEDRO C=C(C)CC[NH2+]CC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001484959801 917970858 /nfs/dbraw/zinc/97/08/58/917970858.db2.gz UXYOBASQZWBJMG-UHFFFAOYSA-N 1 0 269.345 -0.619 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001484956582 917971771 /nfs/dbraw/zinc/97/17/71/917971771.db2.gz OFLCORUHTPUJDK-STQMWFEESA-N 1 0 280.368 -0.012 20 30 CBEDRO C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001484958849 917971864 /nfs/dbraw/zinc/97/18/64/917971864.db2.gz YIACZTZOWWLZRJ-GFCCVEGCSA-N 1 0 295.383 -0.358 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001484991939 917978090 /nfs/dbraw/zinc/97/80/90/917978090.db2.gz NLDOAPXDIOMGPV-CABZTGNLSA-N 1 0 257.334 -0.717 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001484997955 917978933 /nfs/dbraw/zinc/97/89/33/917978933.db2.gz AXZLPILHBCFNRE-NSHDSACASA-N 1 0 294.355 -0.127 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1ccnnc1 ZINC001484998990 917979036 /nfs/dbraw/zinc/97/90/36/917979036.db2.gz IDVIVMGLQBYARE-NSHDSACASA-N 1 0 291.355 -0.123 20 30 CBEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN(C)C(=O)C1CC1 ZINC001484993374 917979268 /nfs/dbraw/zinc/97/92/68/917979268.db2.gz CWHQWVWFVKHGCE-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@@H](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001485002109 917982728 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C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)[NH2+]CCOCCO ZINC001485140521 918009593 /nfs/dbraw/zinc/00/95/93/918009593.db2.gz RSTAYMRJLFUHOH-WDEREUQCSA-N 1 0 294.355 -0.008 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(C)c1N ZINC001485140016 918010605 /nfs/dbraw/zinc/01/06/05/918010605.db2.gz YHMNWVJHSQLPBR-QWRGUYRKSA-N 1 0 293.371 -0.252 20 30 CBEDRO C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001485153073 918014205 /nfs/dbraw/zinc/01/42/05/918014205.db2.gz KRNFSALFQKSFGT-WDEREUQCSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001485174409 918018534 /nfs/dbraw/zinc/01/85/34/918018534.db2.gz LFYCFIVBBPVMNL-WDEREUQCSA-N 1 0 279.344 -0.912 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC001485175323 918018909 /nfs/dbraw/zinc/01/89/09/918018909.db2.gz QMLHJEDKEVZQPP-GHMZBOCLSA-N 1 0 299.338 -0.213 20 30 CBEDRO C[C@H](NC(=O)c1cncn1C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485167963 918020030 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COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001485312394 918071850 /nfs/dbraw/zinc/07/18/50/918071850.db2.gz IHZRJUIMFCWURM-QWHCGFSZSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001485337628 918078384 /nfs/dbraw/zinc/07/83/84/918078384.db2.gz ZGALIIUCWADUQI-WDEREUQCSA-N 1 0 253.346 -0.042 20 30 CBEDRO C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001485338811 918080414 /nfs/dbraw/zinc/08/04/14/918080414.db2.gz QVATZMGATGMMQB-NEPJUHHUSA-N 1 0 298.387 -0.351 20 30 CBEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001485356721 918091456 /nfs/dbraw/zinc/09/14/56/918091456.db2.gz KWZSKFNQAIKXNS-GHMZBOCLSA-N 1 0 291.417 -0.063 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@H](C)[N@H+](C)CCO)nn1 ZINC001485360423 918091961 /nfs/dbraw/zinc/09/19/61/918091961.db2.gz LQQMOUFRPQSAGG-LLVKDONJSA-N 1 0 281.360 -0.103 20 30 CBEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001485359837 918092896 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C=CCC[NH+]1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001485492054 918125613 /nfs/dbraw/zinc/12/56/13/918125613.db2.gz FWDDXTDGDUQTJW-SNVBAGLBSA-N 1 0 264.333 -0.314 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C1C[NH+](CCOCCO)C1 ZINC001485498219 918132427 /nfs/dbraw/zinc/13/24/27/918132427.db2.gz TZIQQACSMHRGIZ-QWRGUYRKSA-N 1 0 269.345 -0.409 20 30 CBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001485541275 918140807 /nfs/dbraw/zinc/14/08/07/918140807.db2.gz RFFHKJVLAHFQMP-GHMZBOCLSA-N 1 0 291.351 -0.501 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCOCCO)CC1(C)C ZINC001485566404 918146070 /nfs/dbraw/zinc/14/60/70/918146070.db2.gz MFBHDKMCAHEVDY-VXGBXAGGSA-N 1 0 283.372 -0.018 20 30 CBEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3ncnn3)[C@@H]2C1 ZINC001485601110 918154049 /nfs/dbraw/zinc/15/40/49/918154049.db2.gz IPRAEXKDNILHPI-RTCCRHLQSA-N 1 0 262.317 -0.847 20 30 CBEDRO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC001485638472 918159994 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CC(C)OCC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001485990541 918286789 /nfs/dbraw/zinc/28/67/89/918286789.db2.gz VQUZUSOZBAMELQ-ZDUSSCGKSA-N 1 0 294.355 -0.008 20 30 CBEDRO CCCC[C@H]([NH2+][C@@H](CO)CNC(=O)C#CC(C)C)C(N)=O ZINC001485994021 918289433 /nfs/dbraw/zinc/28/94/33/918289433.db2.gz QVJSEXYAFLEILR-OLZOCXBDSA-N 1 0 297.399 -0.243 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001486001313 918294290 /nfs/dbraw/zinc/29/42/90/918294290.db2.gz FHCXVOITXRVWEZ-OLZOCXBDSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccns1 ZINC001486002006 918294336 /nfs/dbraw/zinc/29/43/36/918294336.db2.gz LLMNPVFAXHDZRB-VIFPVBQESA-N 1 0 253.327 -0.153 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001486001009 918294647 /nfs/dbraw/zinc/29/46/47/918294647.db2.gz XQIJTBAWTDBEJT-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)CCc1ccncn1 ZINC001486000693 918295501 /nfs/dbraw/zinc/29/55/01/918295501.db2.gz 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919282462 /nfs/dbraw/zinc/28/24/62/919282462.db2.gz POVLFZQTHDUXMC-SNVBAGLBSA-N 1 0 262.313 -0.070 20 30 CBEDRO C#CCCCC(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001491803279 919284123 /nfs/dbraw/zinc/28/41/23/919284123.db2.gz QZHXSRUNZSQRMH-LBPRGKRZSA-N 1 0 290.371 -0.048 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001491811329 919284707 /nfs/dbraw/zinc/28/47/07/919284707.db2.gz UUKSSCOVQJSIQI-NEPJUHHUSA-N 1 0 263.341 -0.416 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001491862545 919291826 /nfs/dbraw/zinc/29/18/26/919291826.db2.gz VWAITOCSRBQUFU-QWRGUYRKSA-N 1 0 277.324 -0.890 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[C@H](C)[NH2+]Cc1nncn1C ZINC001491995455 919308717 /nfs/dbraw/zinc/30/87/17/919308717.db2.gz FMOSVMDYENMLHV-UWVGGRQHSA-N 1 0 264.333 -0.041 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CCNC(=O)C1CS(=O)(=O)C1 ZINC001492027928 919313795 /nfs/dbraw/zinc/31/37/95/919313795.db2.gz NKGIDVCMMDWMIW-JTQLQIEISA-N 1 0 272.370 -0.461 20 30 CBEDRO C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001492045853 919315533 /nfs/dbraw/zinc/31/55/33/919315533.db2.gz COSIYFHSZPFFLA-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001492031681 919316265 /nfs/dbraw/zinc/31/62/65/919316265.db2.gz RFXOBMSEYDFQHO-LLVKDONJSA-N 1 0 291.417 -0.062 20 30 CBEDRO C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001492045855 919316350 /nfs/dbraw/zinc/31/63/50/919316350.db2.gz COSIYFHSZPFFLA-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCn1cc(C(=O)NCC[C@H](C)[NH2+]CC(N)=O)nn1 ZINC001492095627 919324551 /nfs/dbraw/zinc/32/45/51/919324551.db2.gz PRLJCNLHZSNQJO-VIFPVBQESA-N 1 0 280.332 -0.953 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]cn1 ZINC001492090865 919324570 /nfs/dbraw/zinc/32/45/70/919324570.db2.gz QEQWMHCWWURYQZ-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CCC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001492292773 919381701 /nfs/dbraw/zinc/38/17/01/919381701.db2.gz 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PYBKIXXRSSNOJT-GHMZBOCLSA-N 1 0 269.345 -0.663 20 30 CBEDRO CC[N@@H+](CC#CCOC)CCNC(=O)Cc1nc[nH]n1 ZINC001493042740 919473280 /nfs/dbraw/zinc/47/32/80/919473280.db2.gz PUTKHSRKPFJNJY-UHFFFAOYSA-N 1 0 279.344 -0.565 20 30 CBEDRO C#CC[N@H+](CC)CCNC(=O)c1nc2ncccn2n1 ZINC001493046235 919473632 /nfs/dbraw/zinc/47/36/32/919473632.db2.gz KKUCDOXSVFLHJE-UHFFFAOYSA-N 1 0 272.312 -0.191 20 30 CBEDRO C#CC[N@H+](CC)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001493055808 919476044 /nfs/dbraw/zinc/47/60/44/919476044.db2.gz LHTJATTYYROVPX-SNVBAGLBSA-N 1 0 280.328 -0.954 20 30 CBEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001493121420 919477689 /nfs/dbraw/zinc/47/76/89/919477689.db2.gz BOHPOAFJMBUINB-OLZOCXBDSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001493110124 919477914 /nfs/dbraw/zinc/47/79/14/919477914.db2.gz JBKZGCFQGDZOPT-JTQLQIEISA-N 1 0 251.330 -0.288 20 30 CBEDRO COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001493138962 919483293 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CCC[N@@H+](CC#CCOC)CCNC(=O)c1nnn(C)n1 ZINC001493309513 919522515 /nfs/dbraw/zinc/52/25/15/919522515.db2.gz RNIMLSKXHNBNRE-UHFFFAOYSA-N 1 0 294.359 -0.698 20 30 CBEDRO CC#CC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001493412793 919541729 /nfs/dbraw/zinc/54/17/29/919541729.db2.gz BHBVUBJAFMSQTP-NEPJUHHUSA-N 1 0 263.341 -0.288 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001493501383 919564397 /nfs/dbraw/zinc/56/43/97/919564397.db2.gz UHGCWIANWTWVEN-UWVGGRQHSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001493509076 919564920 /nfs/dbraw/zinc/56/49/20/919564920.db2.gz CKIJDGNNRTTWFQ-SNVBAGLBSA-N 1 0 266.345 -0.280 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001493507301 919566641 /nfs/dbraw/zinc/56/66/41/919566641.db2.gz GCKMCWDOFCOBST-LBPRGKRZSA-N 1 0 253.346 -0.612 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1cnc(C)o1 ZINC001493575200 919581320 /nfs/dbraw/zinc/58/13/20/919581320.db2.gz UQDGHMHUCUZWSX-UHFFFAOYSA-N 1 0 292.339 -0.677 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCc2nncn2CC1 ZINC001493638412 919594590 /nfs/dbraw/zinc/59/45/90/919594590.db2.gz ZJIJUSKTEFTPNF-GFCCVEGCSA-N 1 0 275.356 -0.088 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001493758258 919615258 /nfs/dbraw/zinc/61/52/58/919615258.db2.gz CZGJOPKOYTXXNR-GFCCVEGCSA-N 1 0 280.372 -0.009 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)CC[NH2+]CC(=O)NC)cn1 ZINC001493767641 919620160 /nfs/dbraw/zinc/62/01/60/919620160.db2.gz QBAQGAFSXLIDTL-UHFFFAOYSA-N 1 0 274.324 -0.530 20 30 CBEDRO C=C(Cl)C[NH2+]CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001493779852 919620585 /nfs/dbraw/zinc/62/05/85/919620585.db2.gz RKKSWAABBDCAHM-UHFFFAOYSA-N 1 0 297.808 -0.322 20 30 CBEDRO C#CC[NH2+]CCN(C)C(=O)c1ccccc1-n1cnnn1 ZINC001493789161 919620727 /nfs/dbraw/zinc/62/07/27/919620727.db2.gz KAMJKCGQTUYMMN-UHFFFAOYSA-N 1 0 284.323 -0.043 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1ccnc1 ZINC001493808993 919626788 /nfs/dbraw/zinc/62/67/88/919626788.db2.gz CHWPASCFMFCZCA-LBPRGKRZSA-N 1 0 293.371 -0.378 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001493817926 919628787 /nfs/dbraw/zinc/62/87/87/919628787.db2.gz ZFCIRRBWFSTDMH-SNVBAGLBSA-N 1 0 265.313 -0.890 20 30 CBEDRO C#CC[N@@H+](CCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(C)C ZINC001493878019 919631220 /nfs/dbraw/zinc/63/12/20/919631220.db2.gz GJSYUFHETPROBV-GFCCVEGCSA-N 1 0 293.367 -0.111 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC)C1 ZINC001493977430 919642767 /nfs/dbraw/zinc/64/27/67/919642767.db2.gz FOJSTPPRPAUVMF-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001493986530 919642969 /nfs/dbraw/zinc/64/29/69/919642969.db2.gz VNYYOKDFIQRYJK-LLVKDONJSA-N 1 0 264.333 -0.313 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001494121145 919658034 /nfs/dbraw/zinc/65/80/34/919658034.db2.gz VYUYVMZUQXVDDC-NWDGAFQWSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[N@@H+](C)CC1CCN(C(=O)CNC(C)=O)CC1 ZINC001494188861 919671405 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C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001494826087 919798085 /nfs/dbraw/zinc/79/80/85/919798085.db2.gz UPLNKLPOVRFOQG-LLVKDONJSA-N 1 0 287.385 -0.908 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CCNS(C)(=O)=O)C1 ZINC001494826089 919798150 /nfs/dbraw/zinc/79/81/50/919798150.db2.gz UPLNKLPOVRFOQG-NSHDSACASA-N 1 0 287.385 -0.908 20 30 CBEDRO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001494825436 919799149 /nfs/dbraw/zinc/79/91/49/919799149.db2.gz OKJSUJGXEZWNQC-CYBMUJFWSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)F ZINC001494931478 919818138 /nfs/dbraw/zinc/81/81/38/919818138.db2.gz QMOFVUZXKGLSDI-JTQLQIEISA-N 1 0 271.336 -0.032 20 30 CBEDRO CC[C@H](CNC(=O)Cn1cccn1)[NH2+]CC(=O)NCC#N ZINC001494942308 919818542 /nfs/dbraw/zinc/81/85/42/919818542.db2.gz VSXMOUWZXPQQKQ-LLVKDONJSA-N 1 0 292.343 -0.993 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CC)CNC(=O)CC(N)=O)C1=O ZINC001494953936 919821421 /nfs/dbraw/zinc/82/14/21/919821421.db2.gz PGZJLTOZGDNKPD-WDEREUQCSA-N 1 0 296.371 -0.867 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1ccnn1C ZINC001494948204 919823861 /nfs/dbraw/zinc/82/38/61/919823861.db2.gz AMHDVRRDMDVUQV-NSHDSACASA-N 1 0 291.355 -0.733 20 30 CBEDRO CC[C@@H](CNC(=O)c1cnn(C)c1N)[NH2+]CC#CCOC ZINC001494965887 919827190 /nfs/dbraw/zinc/82/71/90/919827190.db2.gz NXVUTQITWDNICW-NSHDSACASA-N 1 0 293.371 -0.250 20 30 CBEDRO CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(=O)NC ZINC001494959350 919828786 /nfs/dbraw/zinc/82/87/86/919828786.db2.gz DMLHMHWCOGNWNL-JTQLQIEISA-N 1 0 277.328 -0.270 20 30 CBEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001494999895 919837474 /nfs/dbraw/zinc/83/74/74/919837474.db2.gz LMKIKWPRKLIFHS-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001495049476 919851921 /nfs/dbraw/zinc/85/19/21/919851921.db2.gz JSGUPOVWSJKASR-RKDXNWHRSA-N 1 0 274.752 -0.095 20 30 CBEDRO CC[C@@H](CNC(=O)[C@H](C)CC(N)=O)[NH2+]CC#CCOC ZINC001495039201 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C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)COCC=C ZINC001495549084 919901207 /nfs/dbraw/zinc/90/12/07/919901207.db2.gz SBGRUYJKVCBZPD-CYBMUJFWSA-N 1 0 293.367 -0.481 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NS(C)(=O)=O ZINC001495581892 919905411 /nfs/dbraw/zinc/90/54/11/919905411.db2.gz JRAKWXUGOOZGCP-WDEREUQCSA-N 1 0 289.401 -0.309 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NS(C)(=O)=O ZINC001495581891 919907062 /nfs/dbraw/zinc/90/70/62/919907062.db2.gz JRAKWXUGOOZGCP-GHMZBOCLSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)COC(C)(C)C ZINC001495645519 919916336 /nfs/dbraw/zinc/91/63/36/919916336.db2.gz PGKMLSGFMVCHFN-LBPRGKRZSA-N 1 0 297.399 -0.107 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001495634721 919917014 /nfs/dbraw/zinc/91/70/14/919917014.db2.gz XETUYODUGLJIKS-NXEZZACHSA-N 1 0 266.345 -0.233 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001495635272 919917709 /nfs/dbraw/zinc/91/77/09/919917709.db2.gz OMZMPEBNWRWIGW-LLVKDONJSA-N 1 0 293.371 -0.271 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1=COCCC1 ZINC001495657810 919921275 /nfs/dbraw/zinc/92/12/75/919921275.db2.gz IJVZPTRWUYKOMA-GFCCVEGCSA-N 1 0 293.367 -0.228 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C ZINC001495669944 919923544 /nfs/dbraw/zinc/92/35/44/919923544.db2.gz XKXZRQXVXKNXBM-NWDGAFQWSA-N 1 0 293.371 -0.305 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1n[nH]cc1C ZINC001495660303 919923833 /nfs/dbraw/zinc/92/38/33/919923833.db2.gz CGZRZGIDNKVIEE-JTQLQIEISA-N 1 0 291.355 -0.577 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001495661110 919923972 /nfs/dbraw/zinc/92/39/72/919923972.db2.gz NLEUQMZIMOKLRW-JTQLQIEISA-N 1 0 293.371 -0.024 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC ZINC001495663258 919924651 /nfs/dbraw/zinc/92/46/51/919924651.db2.gz CKRJQNSBGYFQOV-QWRGUYRKSA-N 1 0 269.345 -0.887 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001495706693 919931952 /nfs/dbraw/zinc/93/19/52/919931952.db2.gz UCVSQLLYGVCZSA-VXGBXAGGSA-N 1 0 286.397 -0.214 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001495720746 919933909 /nfs/dbraw/zinc/93/39/09/919933909.db2.gz VQZQVUVWXICBEB-GHMZBOCLSA-N 1 0 253.346 -0.137 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495718576 919935454 /nfs/dbraw/zinc/93/54/54/919935454.db2.gz ROADHBXGCNPMQH-QWRGUYRKSA-N 1 0 266.345 -0.625 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001495736284 919937902 /nfs/dbraw/zinc/93/79/02/919937902.db2.gz ZGRYYLVQDHIUMY-VIFPVBQESA-N 1 0 250.302 -0.286 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)CCCN1C(=O)CNC1=O ZINC001495802036 919944765 /nfs/dbraw/zinc/94/47/65/919944765.db2.gz XXYVAUPJPUWGNH-NSHDSACASA-N 1 0 294.355 -0.707 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)Cc1nc2ncccn2n1 ZINC001495810905 919949374 /nfs/dbraw/zinc/94/93/74/919949374.db2.gz ZIISDZVXHWJVTA-LLVKDONJSA-N 1 0 286.339 -0.358 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001495824778 919956814 /nfs/dbraw/zinc/95/68/14/919956814.db2.gz PDKALRLOGYVLOS-JTQLQIEISA-N 1 0 274.324 -0.231 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001495911603 919984237 /nfs/dbraw/zinc/98/42/37/919984237.db2.gz MOEFETSUQVKGIM-WFASDCNBSA-N 1 0 297.399 -0.018 20 30 CBEDRO CCCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001495990957 919998434 /nfs/dbraw/zinc/99/84/34/919998434.db2.gz XVVRILSGVROXNN-SNVBAGLBSA-N 1 0 254.334 -0.137 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCCO1 ZINC001496012034 920004765 /nfs/dbraw/zinc/00/47/65/920004765.db2.gz UCGCSGQAIXZASQ-RYUDHWBXSA-N 1 0 254.330 -0.138 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCCO1 ZINC001496012037 920005240 /nfs/dbraw/zinc/00/52/40/920005240.db2.gz UCGCSGQAIXZASQ-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO CCNC(=O)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001496018674 920010365 /nfs/dbraw/zinc/01/03/65/920010365.db2.gz AERPJSJKBAFUPB-ZDUSSCGKSA-N 1 0 297.399 -0.011 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1nnc(C)o1 ZINC001496050222 920016093 /nfs/dbraw/zinc/01/60/93/920016093.db2.gz KXOZTKGBYVVAFZ-SECBINFHSA-N 1 0 250.302 -0.010 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001496053897 920020831 /nfs/dbraw/zinc/02/08/31/920020831.db2.gz CWYSBVGMVOYDLH-WDEREUQCSA-N 1 0 268.361 -0.107 20 30 CBEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCOCC1=O ZINC001496076273 920022462 /nfs/dbraw/zinc/02/24/62/920022462.db2.gz BEUZLAILKMILQI-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001496078540 920023490 /nfs/dbraw/zinc/02/34/90/920023490.db2.gz JCARYCISJIQFOE-NSHDSACASA-N 1 0 276.340 -0.146 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001496098285 920025298 /nfs/dbraw/zinc/02/52/98/920025298.db2.gz LBNKGOXRALQTIA-SECBINFHSA-N 1 0 275.299 -0.173 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccsn1 ZINC001496093706 920028004 /nfs/dbraw/zinc/02/80/04/920028004.db2.gz WOMXZDLPZNTQMG-VIFPVBQESA-N 1 0 295.368 -0.167 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)NC(C)=O ZINC001496167409 920034363 /nfs/dbraw/zinc/03/43/63/920034363.db2.gz OBNGOVOJOKTBQE-PWSUYJOCSA-N 1 0 253.346 -0.029 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001496181563 920038771 /nfs/dbraw/zinc/03/87/71/920038771.db2.gz QMJKVHSSQPCUQC-SECBINFHSA-N 1 0 267.329 -0.338 20 30 CBEDRO C=CCCn1cc(C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)nn1 ZINC001496184907 920039243 /nfs/dbraw/zinc/03/92/43/920039243.db2.gz REQPGMQQIJEYDW-JTQLQIEISA-N 1 0 294.359 -0.610 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001496334533 920057916 /nfs/dbraw/zinc/05/79/16/920057916.db2.gz JDSWTWKSOUTBCA-NEPJUHHUSA-N 1 0 286.397 -0.119 20 30 CBEDRO CC(C)C#CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001496340721 920059053 /nfs/dbraw/zinc/05/90/53/920059053.db2.gz LITCKJYNRFHREP-RYUDHWBXSA-N 1 0 265.357 -0.042 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001496328208 920060288 /nfs/dbraw/zinc/06/02/88/920060288.db2.gz CDJNDBVXUXQAIZ-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1C ZINC001496331348 920061026 /nfs/dbraw/zinc/06/10/26/920061026.db2.gz DDCABEJDTQMCGR-PWSUYJOCSA-N 1 0 251.330 -0.418 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001496349414 920062468 /nfs/dbraw/zinc/06/24/68/920062468.db2.gz CAVRHLXFPSKRGX-NEPJUHHUSA-N 1 0 291.355 -0.105 20 30 CBEDRO C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCNC(N)=O ZINC001496489642 920077650 /nfs/dbraw/zinc/07/76/50/920077650.db2.gz FHMWGNQLWIDTCC-VXGBXAGGSA-N 1 0 280.372 -0.105 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C)OC)C(C)C ZINC001496529961 920084022 /nfs/dbraw/zinc/08/40/22/920084022.db2.gz BLUQSKSTPVFEEE-NWDGAFQWSA-N 1 0 283.372 -0.499 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C)OC)C(C)C ZINC001496529960 920085119 /nfs/dbraw/zinc/08/51/19/920085119.db2.gz BLUQSKSTPVFEEE-NEPJUHHUSA-N 1 0 283.372 -0.499 20 30 CBEDRO CC(C)[C@@H](CNC(=O)CSCC#N)[NH2+]CCO ZINC001496534766 920085138 /nfs/dbraw/zinc/08/51/38/920085138.db2.gz VOFXIUQGBHIJLM-SNVBAGLBSA-N 1 0 259.375 -0.034 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001496575272 920090387 /nfs/dbraw/zinc/09/03/87/920090387.db2.gz OTBTWEDVHYUSIM-LLVKDONJSA-N 1 0 281.360 -0.502 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001496598294 920095696 /nfs/dbraw/zinc/09/56/96/920095696.db2.gz KLXIYONTAVVRNW-ZJUUUORDSA-N 1 0 252.318 -0.969 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)CCNC(N)=O)C(C)C ZINC001496636173 920101559 /nfs/dbraw/zinc/10/15/59/920101559.db2.gz QSXIZPSYAARPTI-LLVKDONJSA-N 1 0 268.361 -0.202 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1ccc2nnnn2c1 ZINC001496743701 920125149 /nfs/dbraw/zinc/12/51/49/920125149.db2.gz FDSISGXOQVMQOF-UHFFFAOYSA-N 1 0 272.312 -0.239 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001496926662 920149789 /nfs/dbraw/zinc/14/97/89/920149789.db2.gz SUUZRICLSRLYAR-SECBINFHSA-N 1 0 275.324 -0.897 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)c[nH]1 ZINC001496937967 920162499 /nfs/dbraw/zinc/16/24/99/920162499.db2.gz UWAGUVIEXAMVKT-VIFPVBQESA-N 1 0 255.705 -0.018 20 30 CBEDRO CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC#CCOC)cn1 ZINC001496955084 920174107 /nfs/dbraw/zinc/17/41/07/920174107.db2.gz MUNJLNSMZAJZMK-CYBMUJFWSA-N 1 0 294.355 -0.767 20 30 CBEDRO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C#N ZINC001496956223 920175826 /nfs/dbraw/zinc/17/58/26/920175826.db2.gz YWTVPEMFSVMCCW-KOLCDFICSA-N 1 0 280.332 -0.976 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCOCC(F)(F)F ZINC001496955866 920176792 /nfs/dbraw/zinc/17/67/92/920176792.db2.gz VEYWBXZPIAJNGT-BDAKNGLRSA-N 1 0 297.277 -0.208 20 30 CBEDRO C/C=C(\C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496964256 920179904 /nfs/dbraw/zinc/17/99/04/920179904.db2.gz BRTVJQQKWIMTEU-KBVBDRTLSA-N 1 0 254.330 -0.331 20 30 CBEDRO C/C=C(/C)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496964257 920180534 /nfs/dbraw/zinc/18/05/34/920180534.db2.gz BRTVJQQKWIMTEU-MCWZUMHDSA-N 1 0 254.330 -0.331 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)[nH]1 ZINC001496964823 920181100 /nfs/dbraw/zinc/18/11/00/920181100.db2.gz LAOGIHRZDLYKLT-PWSUYJOCSA-N 1 0 292.339 -0.397 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001496968965 920183857 /nfs/dbraw/zinc/18/38/57/920183857.db2.gz CMRJICKJPBAKRV-NEPJUHHUSA-N 1 0 283.372 -0.667 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(F)cn1 ZINC001496970914 920186678 /nfs/dbraw/zinc/18/66/78/920186678.db2.gz ZYUIMCIHCLFQHI-NSHDSACASA-N 1 0 265.288 -0.076 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1C ZINC001496974001 920187043 /nfs/dbraw/zinc/18/70/43/920187043.db2.gz ANCZCVGFXLCUTJ-SNVBAGLBSA-N 1 0 267.333 -0.538 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496972691 920187499 /nfs/dbraw/zinc/18/74/99/920187499.db2.gz XMFQXUPAJSVKOT-CYBMUJFWSA-N 1 0 266.341 -0.494 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001496968994 920187921 /nfs/dbraw/zinc/18/79/21/920187921.db2.gz CYEYTTBGFGFOSK-ZDUSSCGKSA-N 1 0 278.356 -0.210 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001496979181 920189516 /nfs/dbraw/zinc/18/95/16/920189516.db2.gz ORVDUUKSHFHDRV-MELADBBJSA-N 1 0 273.336 -0.115 20 30 CBEDRO COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001496979057 920190451 /nfs/dbraw/zinc/19/04/51/920190451.db2.gz DAVMGZKZQHPAJX-VXGBXAGGSA-N 1 0 286.372 -0.890 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(CC)n1 ZINC001496979308 920191915 /nfs/dbraw/zinc/19/19/15/920191915.db2.gz PYDZIMNOYJRYOG-CYBMUJFWSA-N 1 0 278.356 -0.465 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001496990100 920193386 /nfs/dbraw/zinc/19/33/86/920193386.db2.gz FUTIZMDGIPWDIW-GHMZBOCLSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001496989336 920194030 /nfs/dbraw/zinc/19/40/30/920194030.db2.gz AGPDVFVCKJGWTA-NSHDSACASA-N 1 0 276.340 -0.467 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001496987876 920194146 /nfs/dbraw/zinc/19/41/46/920194146.db2.gz VHAJERZUWOMDEW-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001496991745 920195230 /nfs/dbraw/zinc/19/52/30/920195230.db2.gz MWSZKDZSEXXKIC-ZDUSSCGKSA-N 1 0 280.372 -0.005 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001496996786 920197674 /nfs/dbraw/zinc/19/76/74/920197674.db2.gz ZQFAKPIXTXABCL-VIFPVBQESA-N 1 0 257.334 -0.859 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001496992838 920197998 /nfs/dbraw/zinc/19/79/98/920197998.db2.gz BFWSCCVQMBBFTB-WDEREUQCSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001496993500 920198822 /nfs/dbraw/zinc/19/88/22/920198822.db2.gz KTWZPDZYVHAOBD-NSHDSACASA-N 1 0 280.328 -0.171 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1CC ZINC001497010117 920203575 /nfs/dbraw/zinc/20/35/75/920203575.db2.gz WVOHYLFZNMTTSN-SNVBAGLBSA-N 1 0 266.345 -0.151 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001497006376 920204596 /nfs/dbraw/zinc/20/45/96/920204596.db2.gz SLDLQNHODVQYIG-GFCCVEGCSA-N 1 0 277.324 -0.206 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnnc1C ZINC001497008209 920204766 /nfs/dbraw/zinc/20/47/66/920204766.db2.gz FUAZUBSKTZAYSJ-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001497012647 920208872 /nfs/dbraw/zinc/20/88/72/920208872.db2.gz SOWVDIIUICSJJA-LLVKDONJSA-N 1 0 299.758 -0.182 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001497013585 920208906 /nfs/dbraw/zinc/20/89/06/920208906.db2.gz TULLRKWYFBUACT-GHMZBOCLSA-N 1 0 290.385 -0.936 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1(COC)CCC1 ZINC001497019288 920210410 /nfs/dbraw/zinc/21/04/10/920210410.db2.gz GZNGMDWMKGGLKT-NSHDSACASA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1occ2c1CCOC2 ZINC001497025666 920210682 /nfs/dbraw/zinc/21/06/82/920210682.db2.gz QLHWKYRQHAUVCZ-LLVKDONJSA-N 1 0 278.308 -0.334 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001497023435 920211183 /nfs/dbraw/zinc/21/11/83/920211183.db2.gz VQDHSDMKGQVLQL-IIEFLBBWSA-N 1 0 278.352 -0.500 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2n[nH]cc21 ZINC001497031969 920216120 /nfs/dbraw/zinc/21/61/20/920216120.db2.gz GAISEPIHTYQSIN-SNVBAGLBSA-N 1 0 272.308 -0.124 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCCn1ccccc1=O ZINC001497031749 920216832 /nfs/dbraw/zinc/21/68/32/920216832.db2.gz AEVAQQDGJDGAOO-ZDUSSCGKSA-N 1 0 291.351 -0.672 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001497041744 920223519 /nfs/dbraw/zinc/22/35/19/920223519.db2.gz SUWKMNSNOYJTIR-UWVGGRQHSA-N 1 0 295.305 -0.431 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Oc1cccnc1 ZINC001497051895 920227270 /nfs/dbraw/zinc/22/72/70/920227270.db2.gz AQIPMCXKSIVWEP-CHWSQXEVSA-N 1 0 291.351 -0.061 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001497047856 920228088 /nfs/dbraw/zinc/22/80/88/920228088.db2.gz AQHVHLTXZNGCAT-WDEREUQCSA-N 1 0 291.355 -0.685 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)NC(C)=O ZINC001497056407 920230595 /nfs/dbraw/zinc/23/05/95/920230595.db2.gz GYXDPSFFFBTRRG-VXGBXAGGSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)NC(C)=O ZINC001497056404 920231288 /nfs/dbraw/zinc/23/12/88/920231288.db2.gz GYXDPSFFFBTRRG-NEPJUHHUSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001497063828 920234382 /nfs/dbraw/zinc/23/43/82/920234382.db2.gz KGNUKLXKLRFDEB-MNOVXSKESA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001497063827 920234588 /nfs/dbraw/zinc/23/45/88/920234588.db2.gz KGNUKLXKLRFDEB-GHMZBOCLSA-N 1 0 285.388 -0.210 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001497076344 920238031 /nfs/dbraw/zinc/23/80/31/920238031.db2.gz NTVBNDOFAUVKOH-ZETCQYMHSA-N 1 0 259.697 -0.763 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1(C)CCOCC1 ZINC001497075531 920238733 /nfs/dbraw/zinc/23/87/33/920238733.db2.gz JLNNJOZAWLLGDD-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001497070381 920239987 /nfs/dbraw/zinc/23/99/87/920239987.db2.gz MZCTVRJLWMMPFN-JQWIXIFHSA-N 1 0 290.385 -0.794 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ncc2ccccc21 ZINC001497077652 920240865 /nfs/dbraw/zinc/24/08/65/920240865.db2.gz SPGFJJRKYXMOJD-CYBMUJFWSA-N 1 0 286.335 -0.264 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001497070175 920241189 /nfs/dbraw/zinc/24/11/89/920241189.db2.gz JDSJXGRSABAIGC-SECBINFHSA-N 1 0 289.763 -0.668 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CCC)nn1 ZINC001497080220 920243671 /nfs/dbraw/zinc/24/36/71/920243671.db2.gz IARPTGVALWNLLI-JTQLQIEISA-N 1 0 265.317 -0.998 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncccc1OCC=C ZINC001497090539 920247105 /nfs/dbraw/zinc/24/71/05/920247105.db2.gz IOWYPGGUYNJHKO-LBPRGKRZSA-N 1 0 289.335 -0.040 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCN1CCCC1=O ZINC001497108974 920250495 /nfs/dbraw/zinc/25/04/95/920250495.db2.gz CRLNRUPAVCGQML-LBPRGKRZSA-N 1 0 281.356 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001497125970 920255357 /nfs/dbraw/zinc/25/53/57/920255357.db2.gz DJMBBOTXQRNREL-KBPBESRZSA-N 1 0 288.347 -0.002 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001497125987 920256610 /nfs/dbraw/zinc/25/66/10/920256610.db2.gz DJMBBOTXQRNREL-ZIAGYGMSSA-N 1 0 288.347 -0.002 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001497129309 920258299 /nfs/dbraw/zinc/25/82/99/920258299.db2.gz VONREIIIFWAPCO-RISCZKNCSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001497132431 920258312 /nfs/dbraw/zinc/25/83/12/920258312.db2.gz KQEPORIIMVJTSG-JQWIXIFHSA-N 1 0 266.345 -0.224 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)SC ZINC001497147514 920260217 /nfs/dbraw/zinc/26/02/17/920260217.db2.gz UWEVGJIAHKJNHD-MNOVXSKESA-N 1 0 285.413 -0.028 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001497151808 920263178 /nfs/dbraw/zinc/26/31/78/920263178.db2.gz GXDWBWKYMUKQKJ-MNOVXSKESA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001497270326 920277809 /nfs/dbraw/zinc/27/78/09/920277809.db2.gz ASSCRELHIDGSHS-GWCFXTLKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001497270328 920278512 /nfs/dbraw/zinc/27/85/12/920278512.db2.gz ASSCRELHIDGSHS-GXFFZTMASA-N 1 0 251.330 -0.370 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001497325448 920285055 /nfs/dbraw/zinc/28/50/55/920285055.db2.gz QBZNYANKLGOFIY-JTQLQIEISA-N 1 0 292.339 -0.393 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)CN1CCCC1=O ZINC001497351413 920291048 /nfs/dbraw/zinc/29/10/48/920291048.db2.gz ZMYFTSBUJJLFRO-UHFFFAOYSA-N 1 0 295.383 -0.303 20 30 CBEDRO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)[C@@H](C)C#N ZINC001497361851 920294022 /nfs/dbraw/zinc/29/40/22/920294022.db2.gz KCLWBCUXDTTYJF-UWVGGRQHSA-N 1 0 254.334 -0.281 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H](C)C#N ZINC001497361251 920294105 /nfs/dbraw/zinc/29/41/05/920294105.db2.gz AYHZTXKLDORPCK-RYUDHWBXSA-N 1 0 278.356 -0.278 20 30 CBEDRO CCN(CC[NH2+]CC(N)=O)C(=O)c1cc(C#N)c[nH]1 ZINC001497368166 920295285 /nfs/dbraw/zinc/29/52/85/920295285.db2.gz UADFWCLXPBCZNY-UHFFFAOYSA-N 1 0 263.301 -0.577 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cn(C)cn1 ZINC001497374151 920296592 /nfs/dbraw/zinc/29/65/92/920296592.db2.gz QGGZTNFOQILTIK-UHFFFAOYSA-N 1 0 293.371 -0.226 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1cccn2nnnc12 ZINC001497391823 920296880 /nfs/dbraw/zinc/29/68/80/920296880.db2.gz KPICNESKBNFKQJ-UHFFFAOYSA-N 1 0 272.312 -0.191 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C1(C)CC1 ZINC001497390053 920297461 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ZINC001497513669 920317415 /nfs/dbraw/zinc/31/74/15/920317415.db2.gz TVNULFAFFRBGBY-SNAWJCMRSA-N 1 0 268.317 -0.720 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C)C#N ZINC001497546907 920329632 /nfs/dbraw/zinc/32/96/32/920329632.db2.gz FYSANJWKKFDIFG-NDVXOHMPSA-N 1 0 252.318 -0.457 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C(=O)C(C)(C)C ZINC001497549625 920336230 /nfs/dbraw/zinc/33/62/30/920336230.db2.gz SKSUJPAGXPJUIN-SREVYHEPSA-N 1 0 293.367 -0.387 20 30 CBEDRO C[C@H](C#N)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497550466 920336892 /nfs/dbraw/zinc/33/68/92/920336892.db2.gz ZSVVBJWZLQLZGV-MXQLGCADSA-N 1 0 263.301 -0.952 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H](O)C(C)C ZINC001497575047 920345992 /nfs/dbraw/zinc/34/59/92/920345992.db2.gz FXLZOCCWRBLXIS-CFHLNLSMSA-N 1 0 281.356 -0.985 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@]12C[C@H]1COC2 ZINC001497587320 920349763 /nfs/dbraw/zinc/34/97/63/920349763.db2.gz LWJSTCXCLRHUQH-FCKJXPIPSA-N 1 0 278.352 -0.065 20 30 CBEDRO 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C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)C(N)=O ZINC001497895703 920418316 /nfs/dbraw/zinc/41/83/16/920418316.db2.gz APDOSLFXQIFGGN-MRVPVSSYSA-N 1 0 278.287 -0.223 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001497997070 920436714 /nfs/dbraw/zinc/43/67/14/920436714.db2.gz HDKQJRSCNSVLME-GFCCVEGCSA-N 1 0 264.329 -0.373 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCn1cccn1 ZINC001498013715 920440578 /nfs/dbraw/zinc/44/05/78/920440578.db2.gz JUKOIEZJDJKZBX-NSHDSACASA-N 1 0 292.343 -0.993 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001498022978 920446368 /nfs/dbraw/zinc/44/63/68/920446368.db2.gz CXNSMZVFBQRQDW-ZJUUUORDSA-N 1 0 266.345 -0.139 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001498035964 920454573 /nfs/dbraw/zinc/45/45/73/920454573.db2.gz LRENEDAFKOAKSB-NSHDSACASA-N 1 0 283.372 -0.238 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC1(F)F ZINC001498038678 920455575 /nfs/dbraw/zinc/45/55/75/920455575.db2.gz 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C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001498300899 920548170 /nfs/dbraw/zinc/54/81/70/920548170.db2.gz RNGONKQREPJMRN-SNVBAGLBSA-N 1 0 256.350 -0.072 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498392438 920572231 /nfs/dbraw/zinc/57/22/31/920572231.db2.gz DYTQNDVEWFBKSK-IUCAKERBSA-N 1 0 268.317 -0.793 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H](C)C[N@H+](C)CCO)nn1 ZINC001498400211 920577658 /nfs/dbraw/zinc/57/76/58/920577658.db2.gz OXDZWFZRTWAILR-SNVBAGLBSA-N 1 0 267.333 -0.494 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001498448765 920588897 /nfs/dbraw/zinc/58/88/97/920588897.db2.gz PIJXXENWZPCNPQ-WDEREUQCSA-N 1 0 294.355 -0.566 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CCC[NH2+]CC(=O)NC1CC1 ZINC001498526277 920602061 /nfs/dbraw/zinc/60/20/61/920602061.db2.gz OGTOIHWXMNEQQH-JTQLQIEISA-N 1 0 266.345 -0.137 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](C)C#N ZINC001498526710 920602993 /nfs/dbraw/zinc/60/29/93/920602993.db2.gz 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C=CCC[NH2+]C1(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001499310553 920732409 /nfs/dbraw/zinc/73/24/09/920732409.db2.gz NSGXYOIGIMRLCL-SNVBAGLBSA-N 1 0 266.345 -0.176 20 30 CBEDRO C=CCC[NH2+]C1(CNC(=O)CN2CCNC(=O)C2)CC1 ZINC001499311138 920732987 /nfs/dbraw/zinc/73/29/87/920732987.db2.gz ZEAHVSCTBNUQLJ-UHFFFAOYSA-N 1 0 280.372 -0.767 20 30 CBEDRO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001499335590 920738536 /nfs/dbraw/zinc/73/85/36/920738536.db2.gz VXUBPNCKIGAGJB-JTQLQIEISA-N 1 0 266.345 -0.128 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001499351647 920739228 /nfs/dbraw/zinc/73/92/28/920739228.db2.gz NJWJBMDJPHJJBH-MNOVXSKESA-N 1 0 254.330 -0.192 20 30 CBEDRO N#Cc1ccc(C[NH2+]C2(CNC(=O)C(N)=O)CC2)s1 ZINC001499336489 920740246 /nfs/dbraw/zinc/74/02/46/920740246.db2.gz VLHCCKCHCGWCSR-UHFFFAOYSA-N 1 0 278.337 -0.157 20 30 CBEDRO Cc1cnoc1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001499408662 920748376 /nfs/dbraw/zinc/74/83/76/920748376.db2.gz BCJWZYQSSMLADM-UHFFFAOYSA-N 1 0 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274.328 -0.442 20 30 CBEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@](O)(CC#N)C1 ZINC000592847066 355174550 /nfs/dbraw/zinc/17/45/50/355174550.db2.gz IKBOGDORIUSNAV-GXTWGEPZSA-N 1 0 281.356 -0.168 20 30 CBEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CSCC#N ZINC000592877951 355175782 /nfs/dbraw/zinc/17/57/82/355175782.db2.gz BKPGJURWMVTLLD-JTQLQIEISA-N 1 0 284.385 -0.178 20 30 CBEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100575 355193848 /nfs/dbraw/zinc/19/38/48/355193848.db2.gz OWMAYPKRSMAUIJ-FHGNATFXSA-N 1 0 269.370 -0.046 20 30 CBEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C(N)=O)cc1 ZINC000593182933 355197238 /nfs/dbraw/zinc/19/72/38/355197238.db2.gz JDOBTARXBIGDGK-TUAOUCFPSA-N 1 0 272.308 -0.062 20 30 CBEDRO C[NH+](C)CCN1CCN(C(=O)CC2(C#N)CC2)CC1=O ZINC000593232664 355197290 /nfs/dbraw/zinc/19/72/90/355197290.db2.gz AXCBKBMBBNLSNV-UHFFFAOYSA-N 1 0 278.356 -0.087 20 30 CBEDRO C[NH+](C)CCN1CCN(C(=O)CSCC#N)CC1=O ZINC000593234085 355197387 /nfs/dbraw/zinc/19/73/87/355197387.db2.gz DJUVJXGEOXFEJC-UHFFFAOYSA-N 1 0 284.385 -0.524 20 30 CBEDRO CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC1=O ZINC000594431598 355248044 /nfs/dbraw/zinc/24/80/44/355248044.db2.gz OIHOULGHLSUXKZ-ZJUUUORDSA-N 1 0 252.318 -0.255 20 30 CBEDRO CC(C)[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[NH2+]1 ZINC000593905550 355226908 /nfs/dbraw/zinc/22/69/08/355226908.db2.gz VUPSXLVIGULTOP-SNVBAGLBSA-N 1 0 262.317 -0.394 20 30 CBEDRO C[NH+](C)[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000593988601 355233097 /nfs/dbraw/zinc/23/30/97/355233097.db2.gz BBYCAFCPACGZBO-IHRRRGAJSA-N 1 0 288.351 -0.309 20 30 CBEDRO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444042 355248614 /nfs/dbraw/zinc/24/86/14/355248614.db2.gz XCDBWBRTDTXKOC-TUAOUCFPSA-N 1 0 297.355 -0.077 20 30 CBEDRO CC(C)(C#N)CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594247262 355239133 /nfs/dbraw/zinc/23/91/33/355239133.db2.gz DYZJXESNVJZKJI-WDEREUQCSA-N 1 0 266.345 -0.003 20 30 CBEDRO C[C@@H](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000594820745 355263852 /nfs/dbraw/zinc/26/38/52/355263852.db2.gz GWLWENZMYQFXPI-QWRGUYRKSA-N 1 0 290.389 -0.615 20 30 CBEDRO CN(CCC#N)S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595124939 355272258 /nfs/dbraw/zinc/27/22/58/355272258.db2.gz IXCQGBVMXZMPIM-UHFFFAOYSA-N 1 0 258.347 -0.582 20 30 CBEDRO N#CC1(CS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000594477971 355250509 /nfs/dbraw/zinc/25/05/09/355250509.db2.gz LVIQJVRXGGXSQL-WDEREUQCSA-N 1 0 285.369 -0.629 20 30 CBEDRO N#Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000594694440 355258174 /nfs/dbraw/zinc/25/81/74/355258174.db2.gz QJBCUJUXYWLKOY-NEPJUHHUSA-N 1 0 257.297 -0.299 20 30 CBEDRO N#Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccn1 ZINC000594694441 355258485 /nfs/dbraw/zinc/25/84/85/355258485.db2.gz QJBCUJUXYWLKOY-NWDGAFQWSA-N 1 0 257.297 -0.299 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595670943 355300618 /nfs/dbraw/zinc/30/06/18/355300618.db2.gz 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ZINC000595988370 355336249 /nfs/dbraw/zinc/33/62/49/355336249.db2.gz FMHNCQTYUSARIR-ZWNOBZJWSA-N 1 0 264.329 -0.431 20 30 CBEDRO CN1CCN(C(=O)CC2(C#N)CCOCC2)[C@H](C[NH3+])C1 ZINC000595925344 355319039 /nfs/dbraw/zinc/31/90/39/355319039.db2.gz ZHBOGAYGBDAABN-GFCCVEGCSA-N 1 0 280.372 -0.202 20 30 CBEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595988420 355336488 /nfs/dbraw/zinc/33/64/88/355336488.db2.gz GGCIVKLVLOPSCO-GYSYKLTISA-N 1 0 278.356 -0.056 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000595990012 355336576 /nfs/dbraw/zinc/33/65/76/355336576.db2.gz NPJBTDHMQIDVIW-GXFFZTMASA-N 1 0 264.329 -0.302 20 30 CBEDRO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000595989110 355336578 /nfs/dbraw/zinc/33/65/78/355336578.db2.gz IAVXHKIEAPPSSM-SLEUVZQESA-N 1 0 290.367 -0.041 20 30 CBEDRO CC(C)(C#N)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595264327 355276446 /nfs/dbraw/zinc/27/64/46/355276446.db2.gz LSBLDLMCNFYPON-UWVGGRQHSA-N 1 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/nfs/dbraw/zinc/33/93/42/355339342.db2.gz RRSGOBIRIDHHDK-NKWVEPMBSA-N 1 0 251.290 -0.897 20 30 CBEDRO C[C@@H]([NH3+])[C@@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000596014604 355339507 /nfs/dbraw/zinc/33/95/07/355339507.db2.gz RRSGOBIRIDHHDK-RNFRBKRXSA-N 1 0 251.290 -0.897 20 30 CBEDRO CN(C)C(=O)CC[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596161964 355346748 /nfs/dbraw/zinc/34/67/48/355346748.db2.gz WROZRDBLCKFIGE-UHFFFAOYSA-N 1 0 288.355 -0.051 20 30 CBEDRO C[C@H](CCNC(=O)NCC(=O)NCC#N)[NH+](C)C ZINC000596598028 355359971 /nfs/dbraw/zinc/35/99/71/355359971.db2.gz DKIZHCDVMJMBEM-SECBINFHSA-N 1 0 255.322 -0.734 20 30 CBEDRO C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1O ZINC000596636283 355361332 /nfs/dbraw/zinc/36/13/32/355361332.db2.gz KOGZTSKQOJCNPX-USZNOCQGSA-N 1 0 266.345 -0.005 20 30 CBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)c(O)c1 ZINC000597652943 355403456 /nfs/dbraw/zinc/40/34/56/355403456.db2.gz GJWBUUWPXBHFAL-LLVKDONJSA-N 1 0 263.297 -0.084 20 30 CBEDRO 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C#C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185345311 220226486 /nfs/dbraw/zinc/22/64/86/220226486.db2.gz RNEZQXBOZAGIPY-QWRGUYRKSA-N 1 0 251.330 -0.466 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](COC)C1 ZINC000491731781 373707571 /nfs/dbraw/zinc/70/75/71/373707571.db2.gz BCPPABGKCGEACD-ZDUSSCGKSA-N 1 0 283.372 -0.002 20 30 CBEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000185851434 220229048 /nfs/dbraw/zinc/22/90/48/220229048.db2.gz RTFJOFOAUKQZNV-VXGBXAGGSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=CCN(CCOC)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000191097760 220232875 /nfs/dbraw/zinc/23/28/75/220232875.db2.gz FYEKGJIKLXXFSW-NSHDSACASA-N 1 0 271.361 -0.286 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccnn1C ZINC000515054698 373774207 /nfs/dbraw/zinc/77/42/07/373774207.db2.gz MHILLMZQEDUKGC-LBPRGKRZSA-N 1 0 251.334 -0.284 20 30 CBEDRO C[C@@H](NC(=O)c1ccc(C#N)n1C)C(=O)NCC[NH+](C)C ZINC000515071073 373776634 /nfs/dbraw/zinc/77/66/34/373776634.db2.gz BIRRTZGWEJLPQX-SNVBAGLBSA-N 1 0 291.355 -0.307 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247145023 220238969 /nfs/dbraw/zinc/23/89/69/220238969.db2.gz LHEQZMMTZWFDQB-NEPJUHHUSA-N 1 0 298.387 -0.615 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000528394813 373948295 /nfs/dbraw/zinc/94/82/95/373948295.db2.gz JMJUZNFAYLWYEZ-GHMZBOCLSA-N 1 0 264.329 -0.249 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000251574796 220242947 /nfs/dbraw/zinc/24/29/47/220242947.db2.gz CDSXZUNGXBWEMR-NXEZZACHSA-N 1 0 283.328 -0.261 20 30 CBEDRO CNC(=[NH2+])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261660443 220243704 /nfs/dbraw/zinc/24/37/04/220243704.db2.gz AYPBUQVHUFOUMJ-UHFFFAOYSA-N 1 0 287.345 -0.934 20 30 CBEDRO CCNC(=[NH2+])N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261715070 220244152 /nfs/dbraw/zinc/24/41/52/220244152.db2.gz HQWUQTMTASHEIF-GFCCVEGCSA-N 1 0 267.333 -0.369 20 30 CBEDRO CCCNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261723194 220244510 /nfs/dbraw/zinc/24/45/10/220244510.db2.gz XBOOXAWLSWVYTL-UHFFFAOYSA-N 1 0 276.406 -0.028 20 30 CBEDRO C[NH+]=C(NCc1nc(C)no1)N1CCO[C@@H](COC)C1 ZINC000261991341 220245380 /nfs/dbraw/zinc/24/53/80/220245380.db2.gz SKJMAKRGSWFAFZ-SNVBAGLBSA-N 1 0 283.332 -0.199 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000261993583 220245818 /nfs/dbraw/zinc/24/58/18/220245818.db2.gz RVRCWKBKPAGORK-GFCCVEGCSA-N 1 0 254.334 -0.580 20 30 CBEDRO CC(=O)N1CCN(CCNC(=[NH2+])NC2CCCC2)CC1 ZINC000261958599 220246150 /nfs/dbraw/zinc/24/61/50/220246150.db2.gz JNEVFMKAWMTRIG-UHFFFAOYSA-N 1 0 281.404 -0.003 20 30 CBEDRO CN(C)C(=O)CN/C(=[NH+]/CC(=O)N(C)C)N1CCCC1 ZINC000262248236 220247649 /nfs/dbraw/zinc/24/76/49/220247649.db2.gz BKKAWXCVPLFZQU-UHFFFAOYSA-N 1 0 283.376 -0.796 20 30 CBEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1COC2(CCOCC2)O1 ZINC000262192075 220247744 /nfs/dbraw/zinc/24/77/44/220247744.db2.gz RDKVWEQNLZYVCD-NEPJUHHUSA-N 1 0 299.371 -0.008 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)N1CC[C@@]2(CCOC2)C1 ZINC000262024356 220247779 /nfs/dbraw/zinc/24/77/79/220247779.db2.gz ZKFIWPMEMGEFBP-CYBMUJFWSA-N 1 0 278.360 -0.034 20 30 CBEDRO CN(C)C(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000262009727 220247876 /nfs/dbraw/zinc/24/78/76/220247876.db2.gz SYRGTKLJFXVHGB-UHFFFAOYSA-N 1 0 270.358 -0.159 20 30 CBEDRO COc1cccc(NC(=[NH2+])NCCN2CCNC(=O)C2)c1 ZINC000262194227 220248055 /nfs/dbraw/zinc/24/80/55/220248055.db2.gz HDKWHYRCVUMITA-UHFFFAOYSA-N 1 0 291.355 -0.146 20 30 CBEDRO CC(=O)N1CCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000262006801 220248508 /nfs/dbraw/zinc/24/85/08/220248508.db2.gz VUIPELILACNAHR-ZDUSSCGKSA-N 1 0 297.403 -0.766 20 30 CBEDRO C[NH2+][C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 ZINC000262061917 220248603 /nfs/dbraw/zinc/24/86/03/220248603.db2.gz RGRVDTZQDCFCQQ-JTQLQIEISA-N 1 0 260.363 -0.240 20 30 CBEDRO CN(C)C(=O)CNC(N[C@H]1CCC(=O)N(C)C1)=[NH+]C1CC1 ZINC000262294004 220249557 /nfs/dbraw/zinc/24/95/57/220249557.db2.gz LXUVHPYYEKSTFG-NSHDSACASA-N 1 0 295.387 -0.607 20 30 CBEDRO CN1CC[NH+]=C1NCc1ccccc1S(N)(=O)=O ZINC000262317553 220249614 /nfs/dbraw/zinc/24/96/14/220249614.db2.gz PWSROYOPLVKBQL-UHFFFAOYSA-N 1 0 268.342 -0.275 20 30 CBEDRO C[NH+]=C(NCc1ccnn1C)NC[C@]1(O)CCSC1 ZINC000262360927 220250104 /nfs/dbraw/zinc/25/01/04/220250104.db2.gz GVBOEMDMYJXMAL-GFCCVEGCSA-N 1 0 283.401 -0.047 20 30 CBEDRO CC(C)NC(=O)CNC(=[NH+]CC(=O)N(C)C)N1CCCC1 ZINC000262282073 220250336 /nfs/dbraw/zinc/25/03/36/220250336.db2.gz JGJCFMIYPBQAHB-UHFFFAOYSA-N 1 0 297.403 -0.359 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCCS2(=O)=O)CCO1 ZINC000262435116 220250880 /nfs/dbraw/zinc/25/08/80/220250880.db2.gz GCCMSFCJMDAGKA-WDEREUQCSA-N 1 0 289.401 -0.011 20 30 CBEDRO NC(=O)[C@H]1CC[C@H](CNC(=[NH2+])NC2CCCC2)O1 ZINC000262400377 220251117 /nfs/dbraw/zinc/25/11/17/220251117.db2.gz NOWZSAULRWRBAS-NXEZZACHSA-N 1 0 254.334 -0.134 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCc2nnnn2CC2CC2)CCO1 ZINC000262422195 220251261 /nfs/dbraw/zinc/25/12/61/220251261.db2.gz BLCZBILYRFFXST-SECBINFHSA-N 1 0 279.348 -0.382 20 30 CBEDRO CC(C)C(=O)NCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262437815 220251274 /nfs/dbraw/zinc/25/12/74/220251274.db2.gz GTIGGXNRVBNKBG-JTQLQIEISA-N 1 0 256.350 -0.206 20 30 CBEDRO CCNC(=[NH2+])NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000262409769 220251576 /nfs/dbraw/zinc/25/15/76/220251576.db2.gz PDAGLJSTPBMLHQ-DTWKUNHWSA-N 1 0 262.379 -0.372 20 30 CBEDRO C[NH+]=C(NCC1CN(S(C)(=O)=O)C1)NC1CC1 ZINC000262421993 220251723 /nfs/dbraw/zinc/25/17/23/220251723.db2.gz FWGYUEGOXPLGIB-UHFFFAOYSA-N 1 0 260.363 -0.795 20 30 CBEDRO C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](COC)C1 ZINC000262464809 220251767 /nfs/dbraw/zinc/25/17/67/220251767.db2.gz NJYRXGWEABMFCL-NWDGAFQWSA-N 1 0 271.361 -0.055 20 30 CBEDRO NC(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)O1 ZINC000262400378 220251954 /nfs/dbraw/zinc/25/19/54/220251954.db2.gz NOWZSAULRWRBAS-UWVGGRQHSA-N 1 0 254.334 -0.134 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[C@@H](C(N)=O)O2)CCO1 ZINC000262471354 220251965 /nfs/dbraw/zinc/25/19/65/220251965.db2.gz OXKIMJYMCRAZDK-UTLUCORTSA-N 1 0 270.333 -0.945 20 30 CBEDRO C#CCNC(NCc1ccc(S(N)(=O)=O)s1)=[NH+]C ZINC000262612267 220252311 /nfs/dbraw/zinc/25/23/11/220252311.db2.gz JXLTZKNSJSXFRL-UHFFFAOYSA-N 1 0 286.382 -0.306 20 30 CBEDRO [NH2+]=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCOCC1 ZINC000262563638 220253082 /nfs/dbraw/zinc/25/30/82/220253082.db2.gz XFFVINFBHPHZQF-UHFFFAOYSA-N 1 0 278.238 -0.030 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCN2S(C)(=O)=O)N1 ZINC000262627028 220253133 /nfs/dbraw/zinc/25/31/33/220253133.db2.gz DRZLIOXXBAWQED-RKDXNWHRSA-N 1 0 260.363 -0.652 20 30 CBEDRO CC(C)(C)S(=O)(=O)CCNC(=[NH2+])N1CCOCC1 ZINC000262546194 220253331 /nfs/dbraw/zinc/25/33/31/220253331.db2.gz VKYFLYBEXQXXPT-UHFFFAOYSA-N 1 0 277.390 -0.153 20 30 CBEDRO C[C@H]1CCCN(C(=[NH2+])NCCN2C(=O)CNC2=O)C1 ZINC000262540979 220253503 /nfs/dbraw/zinc/25/35/03/220253503.db2.gz RVDAHKRQTLDVAK-VIFPVBQESA-N 1 0 267.333 -0.415 20 30 CBEDRO C[C@@H](NC(=O)c1cc(C#N)cn1C)C(=O)NCC[NH+](C)C ZINC000552082270 374261576 /nfs/dbraw/zinc/26/15/76/374261576.db2.gz MEMNJEQVWDBRKI-SNVBAGLBSA-N 1 0 291.355 -0.307 20 30 CBEDRO N#CCNC(=O)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000561576671 374302118 /nfs/dbraw/zinc/30/21/18/374302118.db2.gz KRPNFQSDBNRYPR-NSHDSACASA-N 1 0 279.344 -0.494 20 30 CBEDRO Cc1cc(C#N)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000583273971 374358763 /nfs/dbraw/zinc/35/87/63/374358763.db2.gz IDFMGRRPUJZEFP-GHMZBOCLSA-N 1 0 272.312 -0.595 20 30 CBEDRO C=CCn1cc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)nn1 ZINC000644200022 374501485 /nfs/dbraw/zinc/50/14/85/374501485.db2.gz IMVFUIBRIXGLRI-CMPLNLGQSA-N 1 0 294.359 -0.278 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000645281445 374656998 /nfs/dbraw/zinc/65/69/98/374656998.db2.gz VXYGLDIAGFGHTR-CHWSQXEVSA-N 1 0 282.388 -0.694 20 30 CBEDRO C=CCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000646076298 374738852 /nfs/dbraw/zinc/73/88/52/374738852.db2.gz HNFOYEQCCZZQAY-IINYFYTJSA-N 1 0 294.355 -0.272 20 30 CBEDRO C=C[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000646618658 374795412 /nfs/dbraw/zinc/79/54/12/374795412.db2.gz BIBHDUBRFBQPSO-CYBMUJFWSA-N 1 0 290.367 -0.004 20 30 CBEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2C#N)C1 ZINC000355820691 248190340 /nfs/dbraw/zinc/19/03/40/248190340.db2.gz ADSGGTILITUQIG-SNVBAGLBSA-N 1 0 277.328 -0.258 20 30 CBEDRO C[C@H]1C[NH+]=C(NCc2cccc(OCC(N)=O)c2)N1 ZINC000262683859 220255241 /nfs/dbraw/zinc/25/52/41/220255241.db2.gz XRGSOGCKHGAZRH-VIFPVBQESA-N 1 0 262.313 -0.012 20 30 CBEDRO CNS(=O)(=O)c1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262685236 220255309 /nfs/dbraw/zinc/25/53/09/220255309.db2.gz YDIFOYDSIYCVSI-UHFFFAOYSA-N 1 0 282.369 -0.014 20 30 CBEDRO C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cnn(C)c1C#N ZINC000347090529 218117206 /nfs/dbraw/zinc/11/72/06/218117206.db2.gz OJJWENPUZOJGJT-JQWIXIFHSA-N 1 0 291.355 -0.181 20 30 CBEDRO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278607241 194065088 /nfs/dbraw/zinc/06/50/88/194065088.db2.gz FGBSESGPWUBZCG-TXEJJXNPSA-N 1 0 278.308 -0.017 20 30 CBEDRO COc1cc(C#N)ccc1OCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278607229 194065501 /nfs/dbraw/zinc/06/55/01/194065501.db2.gz FGBSESGPWUBZCG-RYUDHWBXSA-N 1 0 278.308 -0.017 20 30 CBEDRO COc1cc(CNC2=[NH+]CCN2C)ccc1OCC(N)=O ZINC000262661888 220256212 /nfs/dbraw/zinc/25/62/12/220256212.db2.gz NERBBDUTYSQPNS-UHFFFAOYSA-N 1 0 292.339 -0.050 20 30 CBEDRO CNC(=[NH2+])NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263282849 220261290 /nfs/dbraw/zinc/26/12/90/220261290.db2.gz SNSURWBTCGQKNS-SNVBAGLBSA-N 1 0 288.359 -0.125 20 30 CBEDRO C=CCNC(NCCN1CCCS1(=O)=O)=[NH+]C ZINC000263247340 220259828 /nfs/dbraw/zinc/25/98/28/220259828.db2.gz NJAANSIVSBKUIV-UHFFFAOYSA-N 1 0 260.363 -0.627 20 30 CBEDRO C[NH+]=C(NCCNS(=O)(=O)NC(C)C)NC1CC1 ZINC000263302498 220260076 /nfs/dbraw/zinc/26/00/76/220260076.db2.gz ZXBKYWOIPLWTQP-UHFFFAOYSA-N 1 0 277.394 -0.854 20 30 CBEDRO C[NH+]=C(NCCc1nc(C)no1)N1CCN(C(C)=O)CC1 ZINC000263233763 220260266 /nfs/dbraw/zinc/26/02/66/220260266.db2.gz IUCTUCVBXCFHFN-UHFFFAOYSA-N 1 0 294.359 -0.340 20 30 CBEDRO CNC(=O)CNC(NCc1nc(C)cs1)=[NH+]C ZINC000262944015 220260603 /nfs/dbraw/zinc/26/06/03/220260603.db2.gz AJSKLZNUIWYOHS-UHFFFAOYSA-N 1 0 255.347 -0.137 20 30 CBEDRO [NH2+]=C(NCCS(=O)(=O)N1CCSCC1)NC1CC1 ZINC000263190979 220261262 /nfs/dbraw/zinc/26/12/62/220261262.db2.gz YGDYLGONEYEHLO-UHFFFAOYSA-N 1 0 292.430 -0.568 20 30 CBEDRO [NH2+]=C(NCC1(CO)CCOCC1)N1CCOCC1 ZINC000262838355 220256975 /nfs/dbraw/zinc/25/69/75/220256975.db2.gz TUUHCUCRPUDLEE-UHFFFAOYSA-N 1 0 257.334 -0.578 20 30 CBEDRO [NH2+]=C(NCCF)N1CCN(c2ncccn2)CC1 ZINC000262840635 220257897 /nfs/dbraw/zinc/25/78/97/220257897.db2.gz UJMWRYCWVPTBGE-UHFFFAOYSA-N 1 0 252.297 -0.117 20 30 CBEDRO CNC(=[NH2+])NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000262845028 220257973 /nfs/dbraw/zinc/25/79/73/220257973.db2.gz VNCIYXOKPZGCHB-UHFFFAOYSA-N 1 0 288.348 -0.020 20 30 CBEDRO C[NH+]=C(NCCn1cc(C)cn1)N1CCN(C(C)=O)CC1 ZINC000262759832 220258324 /nfs/dbraw/zinc/25/83/24/220258324.db2.gz FPYFXCIRLYZBCQ-UHFFFAOYSA-N 1 0 292.387 -0.069 20 30 CBEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(CO)CCOCC1 ZINC000262802603 220258407 /nfs/dbraw/zinc/25/84/07/220258407.db2.gz MVOQCUCZAQIGKA-NSHDSACASA-N 1 0 271.361 -0.141 20 30 CBEDRO C#CCNC(NC[C@@H]1CCc2nnc(C)n2C1)=[NH+]C ZINC000262805173 220258422 /nfs/dbraw/zinc/25/84/22/220258422.db2.gz RZYBDHYCPAFSGI-NSHDSACASA-N 1 0 260.345 -0.053 20 30 CBEDRO CC[C@@H](C)NC(NCCN1CCCS1(=O)=O)=[NH+]C ZINC000263255784 220261617 /nfs/dbraw/zinc/26/16/17/220261617.db2.gz QQDBQUOXJJSLPN-SNVBAGLBSA-N 1 0 276.406 -0.015 20 30 CBEDRO CNC(=[NH2+])NCCNC(=O)c1ccc(OC)cc1 ZINC000264092850 220263023 /nfs/dbraw/zinc/26/30/23/220263023.db2.gz LNGSOWIXJDDQFX-UHFFFAOYSA-N 1 0 250.302 -0.041 20 30 CBEDRO COCCNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264083223 220263284 /nfs/dbraw/zinc/26/32/84/220263284.db2.gz IYZWWZARORFPRT-UHFFFAOYSA-N 1 0 293.371 -0.031 20 30 CBEDRO Cn1cc(CCCNC(=[NH2+])N2CCOCC2)cn1 ZINC000264302536 220263779 /nfs/dbraw/zinc/26/37/79/220263779.db2.gz SHUVQCGHZSEVSU-UHFFFAOYSA-N 1 0 251.334 0.000 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1nccn1C ZINC000264998287 220264199 /nfs/dbraw/zinc/26/41/99/220264199.db2.gz UOISWLPQAQKZLR-UHFFFAOYSA-N 1 0 280.376 -0.583 20 30 CBEDRO CCNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264078772 220264289 /nfs/dbraw/zinc/26/42/89/220264289.db2.gz GNNBMQOMFZHGRF-UHFFFAOYSA-N 1 0 280.328 -0.017 20 30 CBEDRO COCCNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269040787 220271589 /nfs/dbraw/zinc/27/15/89/220271589.db2.gz CSSBGNJSGFGOIS-UHFFFAOYSA-N 1 0 256.266 -0.658 20 30 CBEDRO CCOC(=O)C1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC000574750758 335044229 /nfs/dbraw/zinc/04/42/29/335044229.db2.gz BMKYMHNRISMZFW-UHFFFAOYSA-N 1 0 297.355 -0.300 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2C(=O)OC)CC1 ZINC000267735453 190351511 /nfs/dbraw/zinc/35/15/11/190351511.db2.gz NMVFVTPDHGCUHR-CYBMUJFWSA-N 1 0 294.351 -0.268 20 30 CBEDRO CNC(=O)NCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000270519071 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C=CCNC(=O)CN1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000094294433 544443858 /nfs/dbraw/zinc/44/38/58/544443858.db2.gz MBJBIHVWBBERDC-UHFFFAOYSA-N 1 0 294.399 -0.296 20 30 CBEDRO CCNC(=O)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000049726701 419453157 /nfs/dbraw/zinc/45/31/57/419453157.db2.gz DSFKLFRLIUELJZ-UHFFFAOYSA-N 1 0 254.334 -0.184 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184801229 419518449 /nfs/dbraw/zinc/51/84/49/419518449.db2.gz PTTJQERPRBHIGO-DCAQKATOSA-N 1 0 251.330 -0.242 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000662165440 419553142 /nfs/dbraw/zinc/55/31/42/419553142.db2.gz GBRJVXVMXIPKAY-GFCCVEGCSA-N 1 0 281.356 -0.796 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@H](C(=O)NC)c1ccccc1 ZINC000662167188 419553240 /nfs/dbraw/zinc/55/32/40/419553240.db2.gz UPPSPAUUAGOREW-TZMCWYRMSA-N 1 0 291.351 -0.274 20 30 CBEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000662167173 419553277 /nfs/dbraw/zinc/55/32/77/419553277.db2.gz UFRWAAHCLFALJA-GHMZBOCLSA-N 1 0 264.329 -0.030 20 30 CBEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000662165962 419554939 /nfs/dbraw/zinc/55/49/39/419554939.db2.gz WSEDIPFDKVESME-HBNTYKKESA-N 1 0 269.345 -0.765 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000662167094 419555336 /nfs/dbraw/zinc/55/53/36/419555336.db2.gz SKJXDOBKDNTREH-VXGBXAGGSA-N 1 0 269.345 -0.750 20 30 CBEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661607641 419506907 /nfs/dbraw/zinc/50/69/07/419506907.db2.gz KBZXIOAQZFWAGO-QWRGUYRKSA-N 1 0 251.330 -0.111 20 30 CBEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nnn(C)n2)C[C@H]1C ZINC000330311950 419638009 /nfs/dbraw/zinc/63/80/09/419638009.db2.gz OBQFRUISIATROB-ZJUUUORDSA-N 1 0 297.363 -0.989 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccon1 ZINC000329838798 419640073 /nfs/dbraw/zinc/64/00/73/419640073.db2.gz MRNWFRPTVRGCQC-SECBINFHSA-N 1 0 253.306 0.246 20 30 CBEDRO C=CCn1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)nn1 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C=CC[C@]1(C(=O)NCCn2ncnn2)CCC[NH2+]1 ZINC000662792189 419725375 /nfs/dbraw/zinc/72/53/75/419725375.db2.gz DPBMAHWLXYJUKK-LLVKDONJSA-N 1 0 250.306 -0.512 20 30 CBEDRO C=CC[C@@]1(C(=O)N2CC[C@H](NC(N)=O)C2)CCC[NH2+]1 ZINC000662806378 419733853 /nfs/dbraw/zinc/73/38/53/419733853.db2.gz PVSANESNUWSLRN-GWCFXTLKSA-N 1 0 266.345 -0.046 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662942469 419786346 /nfs/dbraw/zinc/78/63/46/419786346.db2.gz HWWGUPIGVPBOIG-UHFFFAOYSA-N 1 0 257.334 -0.545 20 30 CBEDRO N#Cc1ccnc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000566489382 544603791 /nfs/dbraw/zinc/60/37/91/544603791.db2.gz LRKZEXDVRRKYQY-WDEREUQCSA-N 1 0 257.297 -0.299 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000649185108 419849406 /nfs/dbraw/zinc/84/94/06/419849406.db2.gz XVKVJGDOCJRWFU-CHWSQXEVSA-N 1 0 265.357 -0.733 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)nn1 ZINC000649216425 419852747 /nfs/dbraw/zinc/85/27/47/419852747.db2.gz ZCIIPCKONDUVFC-ZDUSSCGKSA-N 1 0 281.360 -0.103 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000649323689 419885724 /nfs/dbraw/zinc/88/57/24/419885724.db2.gz PFUYTKBWGRBAST-UHFFFAOYSA-N 1 0 290.371 -0.269 20 30 CBEDRO C=CCNc1ncc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358420421 419896339 /nfs/dbraw/zinc/89/63/39/419896339.db2.gz BWIXVDUQYRRVFZ-ZDUSSCGKSA-N 1 0 296.396 0.537 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000665757336 544615792 /nfs/dbraw/zinc/61/57/92/544615792.db2.gz FZDPUFBWIHIUFR-UHFFFAOYSA-N 1 0 294.399 -0.473 20 30 CBEDRO C=C[C@H](O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000667893741 544678116 /nfs/dbraw/zinc/67/81/16/544678116.db2.gz XCGLUYFDBRXSAR-RYUDHWBXSA-N 1 0 283.372 -0.408 20 30 CBEDRO C=C[C@@](C)(O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000667893744 544678152 /nfs/dbraw/zinc/67/81/52/544678152.db2.gz XCYJTLAFUFCHFJ-IUODEOHRSA-N 1 0 297.399 -0.018 20 30 CBEDRO C=C[C@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000667911093 544678421 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C=CCN1CC[C@H](N2CC[N@H+](C)C[C@H](C(=O)OC)C2)C1=O ZINC000411919609 420235446 /nfs/dbraw/zinc/23/54/46/420235446.db2.gz QELLSALPQCFCQT-STQMWFEESA-N 1 0 295.383 -0.190 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418826457 420242862 /nfs/dbraw/zinc/24/28/62/420242862.db2.gz LATIBIYGFHDYNP-AGIUHOORSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CCNC(=O)CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469475 420253287 /nfs/dbraw/zinc/25/32/87/420253287.db2.gz YNVGZPVWPFOUPD-GXFFZTMASA-N 1 0 251.330 -0.206 20 30 CBEDRO Cc1cc(NC(=O)CN(C)C(=O)[C@@H]([NH3+])CCCC#N)no1 ZINC000424064573 420258614 /nfs/dbraw/zinc/25/86/14/420258614.db2.gz OTDHJIWECNIIKW-JTQLQIEISA-N 1 0 293.327 0.401 20 30 CBEDRO C=CCCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656328633 420306099 /nfs/dbraw/zinc/30/60/99/420306099.db2.gz CGPUYHGUMGILED-NWDGAFQWSA-N 1 0 281.356 -0.654 20 30 CBEDRO C#CCNC(=O)CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000491069040 420310436 /nfs/dbraw/zinc/31/04/36/420310436.db2.gz 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N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000843464098 583223692 /nfs/dbraw/zinc/22/36/92/583223692.db2.gz ZUBLKEMOEWPOFN-WOPDTQHZSA-N 1 0 286.339 -0.327 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CN(C)C(=O)[C@@H]2C)CC1 ZINC000843736914 583235322 /nfs/dbraw/zinc/23/53/22/583235322.db2.gz IVGNDTBKRHFWBN-NSHDSACASA-N 1 0 263.341 -0.022 20 30 CBEDRO C=C(CO)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844095438 583250825 /nfs/dbraw/zinc/25/08/25/583250825.db2.gz WPHWMIOJZLTOJP-UHFFFAOYSA-N 1 0 254.330 -0.142 20 30 CBEDRO Cc1c(CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cnn1C ZINC000844194796 583260654 /nfs/dbraw/zinc/26/06/54/583260654.db2.gz MDOJPAZOSMAEMQ-NWDGAFQWSA-N 1 0 261.329 -0.111 20 30 CBEDRO C#CCNC(=O)CCN1CCOC[C@H]1c1ccnn1C ZINC000844463491 583271174 /nfs/dbraw/zinc/27/11/74/583271174.db2.gz WJAKBHITSXMMST-ZDUSSCGKSA-N 1 0 276.340 -0.067 20 30 CBEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000844476666 583271585 /nfs/dbraw/zinc/27/15/85/583271585.db2.gz YCLFWYPJVWDZHA-NWDGAFQWSA-N 1 0 264.325 -0.133 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NCC(=O)N(C)OCC ZINC000845221565 583296978 /nfs/dbraw/zinc/29/69/78/583296978.db2.gz ZAHBWLMXQZOPOU-UHFFFAOYSA-N 1 0 284.360 -0.349 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NCC[C@]1(O)CCOC1 ZINC000845220359 583296989 /nfs/dbraw/zinc/29/69/89/583296989.db2.gz GNFVIBQZANMGNG-AWEZNQCLSA-N 1 0 283.372 -0.218 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H]1CCCO1 ZINC000846327896 583359103 /nfs/dbraw/zinc/35/91/03/583359103.db2.gz FDRPOFDDRSLCGZ-RYUDHWBXSA-N 1 0 293.367 -0.471 20 30 CBEDRO C#CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846714236 583385712 /nfs/dbraw/zinc/38/57/12/583385712.db2.gz YAZKWQPYPVUNLU-UHFFFAOYSA-N 1 0 266.345 -0.575 20 30 CBEDRO C#C[C@H](CC)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846715081 583385830 /nfs/dbraw/zinc/38/58/30/583385830.db2.gz MLRFSEAPEQWWMR-GFCCVEGCSA-N 1 0 280.372 -0.186 20 30 CBEDRO C#CCNC(=O)CC[NH+]1CCN(c2nncn2C)CC1 ZINC000847041514 583396933 /nfs/dbraw/zinc/39/69/33/583396933.db2.gz NXEONMCDOXUZBP-UHFFFAOYSA-N 1 0 276.344 -0.923 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cn1nc(C)n(C)c1=O ZINC000847640394 583412601 /nfs/dbraw/zinc/41/26/01/583412601.db2.gz JCUHEDAAGDGTTO-GFCCVEGCSA-N 1 0 292.339 -0.469 20 30 CBEDRO C[N@H+](CC(=O)N[C@@H]1CCCN(O)C1=O)[C@H]1CCSC1 ZINC000848136605 583432974 /nfs/dbraw/zinc/43/29/74/583432974.db2.gz YZBZGMSSJSPFCE-VHSXEESVSA-N 1 0 287.385 -0.080 20 30 CBEDRO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 ZINC000848137007 583433014 /nfs/dbraw/zinc/43/30/14/583433014.db2.gz WGWKKZZSYDFSIA-SNVBAGLBSA-N 1 0 255.318 -0.175 20 30 CBEDRO C[NH+]1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 ZINC000848137006 583433035 /nfs/dbraw/zinc/43/30/35/583433035.db2.gz WGWKKZZSYDFSIA-JTQLQIEISA-N 1 0 255.318 -0.175 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2nccn2C1 ZINC000848419649 583445700 /nfs/dbraw/zinc/44/57/00/583445700.db2.gz ZXXOLACFVKNNRN-GMTAPVOTSA-N 1 0 259.313 -0.327 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848525216 583450169 /nfs/dbraw/zinc/45/01/69/583450169.db2.gz LYXIRTMDZVRAMU-CQSZACIVSA-N 1 0 279.384 -0.031 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848677711 583454363 /nfs/dbraw/zinc/45/43/63/583454363.db2.gz FWRVMNWBZFLOBD-NSHDSACASA-N 1 0 265.313 -0.301 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1cc(C)ncn1 ZINC000848994232 583465371 /nfs/dbraw/zinc/46/53/71/583465371.db2.gz HIWWWWIYPCJQIE-UHFFFAOYSA-N 1 0 292.387 -0.218 20 30 CBEDRO CCCNC(=O)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000848996771 583465534 /nfs/dbraw/zinc/46/55/34/583465534.db2.gz YSYWPUWTEJHHGN-UHFFFAOYSA-N 1 0 299.419 -0.600 20 30 CBEDRO CC[C@@](C)(O)CNC(NCCN1CCOCC1)=[NH+]C ZINC000848999463 583465972 /nfs/dbraw/zinc/46/59/72/583465972.db2.gz JDFRLXUEZRJEKX-CYBMUJFWSA-N 1 0 272.393 -0.355 20 30 CBEDRO C[NH+]=C(NCCn1cc(C(=O)OC)nn1)NC1CC1 ZINC000849003483 583466311 /nfs/dbraw/zinc/46/63/11/583466311.db2.gz OMVJJFKCJCRKMV-UHFFFAOYSA-N 1 0 266.305 -0.608 20 30 CBEDRO C[NH+]=C(NCC[C@@H](C)OC)NCCN1CCOCC1 ZINC000849001205 583466373 /nfs/dbraw/zinc/46/63/73/583466373.db2.gz GMHQARPRXURPKC-GFCCVEGCSA-N 1 0 272.393 -0.091 20 30 CBEDRO CNC(NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)=[NH+]C ZINC000849004011 583466942 /nfs/dbraw/zinc/46/69/42/583466942.db2.gz SSTBHOCKJQPGFO-QPUJVOFHSA-N 1 0 267.333 -0.498 20 30 CBEDRO C[NH+]=C(NCC[C@H]1CCOC1)NCCN1CCOCC1 ZINC000849017784 583468481 /nfs/dbraw/zinc/46/84/81/583468481.db2.gz IDFCKSAZGCEKMP-ZDUSSCGKSA-N 1 0 284.404 -0.090 20 30 CBEDRO N#CCNC(=O)CNC(=[NH2+])NCCc1ccccc1 ZINC000849027854 583469504 /nfs/dbraw/zinc/46/95/04/583469504.db2.gz LONFWOYRIKQOAL-UHFFFAOYSA-N 1 0 259.313 -0.017 20 30 CBEDRO CCC1(CNC(NCCN2CCOCC2)=[NH+]C)COC1 ZINC000849037753 583470721 /nfs/dbraw/zinc/47/07/21/583470721.db2.gz ATOROCXLIVZHAL-UHFFFAOYSA-N 1 0 284.404 -0.090 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCNC1=O ZINC000849041422 583471582 /nfs/dbraw/zinc/47/15/82/583471582.db2.gz RGERQKRTKNZFCW-LBPRGKRZSA-N 1 0 297.403 -0.990 20 30 CBEDRO 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584826404 /nfs/dbraw/zinc/82/64/04/584826404.db2.gz LKSPXWXQQNPLQM-UHFFFAOYSA-N 1 0 290.371 -0.274 20 30 CBEDRO C[NH+](C)CCn1nccc1C(=O)N1CCOC[C@H]1C#N ZINC000900848887 584830217 /nfs/dbraw/zinc/83/02/17/584830217.db2.gz VMJBWBQOVIKWAL-LLVKDONJSA-N 1 0 277.328 -0.191 20 30 CBEDRO COC[C@@](C)(C#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901056618 584844016 /nfs/dbraw/zinc/84/40/16/584844016.db2.gz PGGYRVUJAHBVQV-CHWSQXEVSA-N 1 0 269.345 -0.122 20 30 CBEDRO C=CC[C@H](CO)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901323564 584860638 /nfs/dbraw/zinc/86/06/38/584860638.db2.gz URBQZIZRHCTCFR-LOWVWBTDSA-N 1 0 256.346 -0.258 20 30 CBEDRO C#CCN(Cn1nc(C)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000902540249 584878284 /nfs/dbraw/zinc/87/82/84/584878284.db2.gz SDEFFMZDPKKMGB-UHFFFAOYSA-N 1 0 277.372 -0.123 20 30 CBEDRO C#CCN1CCC[C@@H](NC(=O)C(=O)c2cnn(C)c2)C1 ZINC000902731128 584883253 /nfs/dbraw/zinc/88/32/53/584883253.db2.gz VRJCPJAOVLPATB-GFCCVEGCSA-N 1 0 274.324 -0.183 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)nc1 ZINC000903484070 584891309 /nfs/dbraw/zinc/89/13/09/584891309.db2.gz SNCCNZPYFQTSOD-SNVBAGLBSA-N 1 0 266.326 -0.016 20 30 CBEDRO C[C@]1(C#N)CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903824192 584900860 /nfs/dbraw/zinc/90/08/60/584900860.db2.gz MZLJKWJEXSBBIM-RYUDHWBXSA-N 1 0 251.330 -0.021 20 30 CBEDRO C=CCN1CC[C@H](N2CC[NH2+]C[C@@H]2COC)C1=O ZINC000903882452 584903884 /nfs/dbraw/zinc/90/38/84/584903884.db2.gz ZLHQLSURWBXTER-NEPJUHHUSA-N 1 0 253.346 -0.307 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000963653280 612954797 /nfs/dbraw/zinc/95/47/97/612954797.db2.gz KRGJXJVXWHJBSX-SWAPUOLTSA-N 1 0 291.395 -0.033 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3COCCN3C)C2)C1 ZINC000963704841 612954838 /nfs/dbraw/zinc/95/48/38/612954838.db2.gz ZPGBZSFPBNMKAB-SWAPUOLTSA-N 1 0 291.395 -0.033 20 30 CBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000971860124 613080878 /nfs/dbraw/zinc/08/08/78/613080878.db2.gz ZPXJLARKRACDDC-GFCCVEGCSA-N 1 0 278.356 -0.432 20 30 CBEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCN2CC)C1 ZINC000971824620 613084684 /nfs/dbraw/zinc/08/46/84/613084684.db2.gz QLGUVWXWMIQRGQ-ZIAGYGMSSA-N 1 0 279.384 -0.127 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000969981156 612965352 /nfs/dbraw/zinc/96/53/52/612965352.db2.gz WCENJFYHJVJGAB-SECBINFHSA-N 1 0 260.297 -0.449 20 30 CBEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC000981110559 612971863 /nfs/dbraw/zinc/97/18/63/612971863.db2.gz LZKDDYZLTOPZAH-NWDGAFQWSA-N 1 0 284.381 -0.319 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000967727098 617291676 /nfs/dbraw/zinc/29/16/76/617291676.db2.gz DFCDIXOYZGPMBK-NWDGAFQWSA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(C)C(=O)N3)C2)C1 ZINC000964609684 612954549 /nfs/dbraw/zinc/95/45/49/612954549.db2.gz ASASRLCHXFZSJE-WAQQSHLVSA-N 1 0 290.367 -0.340 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC000980898476 612958910 /nfs/dbraw/zinc/95/89/10/612958910.db2.gz IOZMXXYRRYARHN-MNOVXSKESA-N 1 0 262.317 -0.677 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC000981115709 612958913 /nfs/dbraw/zinc/95/89/13/612958913.db2.gz RUASNOLRKUBHPM-NEPJUHHUSA-N 1 0 261.329 -0.072 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC000970374884 612960288 /nfs/dbraw/zinc/96/02/88/612960288.db2.gz GLBOLDKLAUIGPK-LLVKDONJSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000970637882 612960827 /nfs/dbraw/zinc/96/08/27/612960827.db2.gz HFSXWNALXYHSDH-SNVBAGLBSA-N 1 0 292.339 -0.860 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC000969462244 612961406 /nfs/dbraw/zinc/96/14/06/612961406.db2.gz JBSNBUOQRJXWBN-NEPJUHHUSA-N 1 0 284.381 -0.223 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC000969102369 612962371 /nfs/dbraw/zinc/96/23/71/612962371.db2.gz DKWHGQOJFQEKNI-NXEZZACHSA-N 1 0 258.343 -0.757 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000968302382 612962675 /nfs/dbraw/zinc/96/26/75/612962675.db2.gz NNMRETZGVCODNZ-NEPJUHHUSA-N 1 0 251.330 -0.859 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000970350425 612964524 /nfs/dbraw/zinc/96/45/24/612964524.db2.gz NVZQNUFBKYAKGM-SNVBAGLBSA-N 1 0 260.297 -0.449 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000970851529 612965445 /nfs/dbraw/zinc/96/54/45/612965445.db2.gz JARXABNKOJSXCF-LLVKDONJSA-N 1 0 272.308 -0.382 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc3c(c2)nnn3C)C1 ZINC000969368415 612967276 /nfs/dbraw/zinc/96/72/76/612967276.db2.gz RSIMXHJUQDMCQI-LLVKDONJSA-N 1 0 284.323 -0.199 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000939239741 612968657 /nfs/dbraw/zinc/96/86/57/612968657.db2.gz CWECNHOILSHRRV-WCQYABFASA-N 1 0 298.408 -0.119 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1C ZINC000939159068 612968810 /nfs/dbraw/zinc/96/88/10/612968810.db2.gz VEFMBFAQIWUMHP-ZYHUDNBSSA-N 1 0 261.329 -0.193 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC000939443371 612969187 /nfs/dbraw/zinc/96/91/87/612969187.db2.gz MDMFPFKSDXJCRA-BXKDBHETSA-N 1 0 262.313 -0.010 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1C ZINC000939333177 612969500 /nfs/dbraw/zinc/96/95/00/612969500.db2.gz CGSCBBUBFSYCAY-DGCLKSJQSA-N 1 0 288.351 -0.054 20 30 CBEDRO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1ncnn1 ZINC000960261763 612971107 /nfs/dbraw/zinc/97/11/07/612971107.db2.gz JZCMDTSEHYYZPJ-UKRRQHHQSA-N 1 0 296.334 -0.322 20 30 CBEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC000981501836 612973442 /nfs/dbraw/zinc/97/34/42/612973442.db2.gz BTNCXQZMVNHNRL-RYUDHWBXSA-N 1 0 261.329 -0.072 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1C ZINC000939069577 612976230 /nfs/dbraw/zinc/97/62/30/612976230.db2.gz ZRKQZOOKQUBULS-UWVGGRQHSA-N 1 0 262.313 -0.191 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC000939069579 612976288 /nfs/dbraw/zinc/97/62/88/612976288.db2.gz ZRKQZOOKQUBULS-ZJUUUORDSA-N 1 0 262.313 -0.191 20 30 CBEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1C ZINC000939819819 612976296 /nfs/dbraw/zinc/97/62/96/612976296.db2.gz MLUFGRKEEKJGAU-MNOVXSKESA-N 1 0 276.340 -0.593 20 30 CBEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC000970291963 612994294 /nfs/dbraw/zinc/99/42/94/612994294.db2.gz IDQFBTYBWLETJO-DGCLKSJQSA-N 1 0 277.368 -0.076 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970763672 612996576 /nfs/dbraw/zinc/99/65/76/612996576.db2.gz NCHLIJWUFRNOTA-JQWIXIFHSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000970271809 612996735 /nfs/dbraw/zinc/99/67/35/612996735.db2.gz XCZRIJWILFHKLC-CMPLNLGQSA-N 1 0 278.356 -0.530 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000969440437 612996859 /nfs/dbraw/zinc/99/68/59/612996859.db2.gz GUCQVLCQHXZACT-GXTWGEPZSA-N 1 0 279.384 -0.223 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC000969878368 612997206 /nfs/dbraw/zinc/99/72/06/612997206.db2.gz QLBCMYFJNWTGGT-NSHDSACASA-N 1 0 288.351 -0.146 20 30 CBEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969603194 612998116 /nfs/dbraw/zinc/99/81/16/612998116.db2.gz SMXMTEOKTXKHNM-JTQLQIEISA-N 1 0 261.329 -0.112 20 30 CBEDRO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC000981975593 613000080 /nfs/dbraw/zinc/00/00/80/613000080.db2.gz YILAUHJKNUUNOQ-LBPRGKRZSA-N 1 0 290.367 -0.385 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000965899113 613013672 /nfs/dbraw/zinc/01/36/72/613013672.db2.gz DTUJZZKLIZFFAM-NEPJUHHUSA-N 1 0 291.355 -0.166 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C(C)(C)C1 ZINC000974543127 613032640 /nfs/dbraw/zinc/03/26/40/613032640.db2.gz YOIDPZJEHZIMDB-GHMZBOCLSA-N 1 0 279.340 -0.055 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC000958675913 613033669 /nfs/dbraw/zinc/03/36/69/613033669.db2.gz AOQDBKKEELMQHO-WCQYABFASA-N 1 0 276.340 -0.534 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nn(C)cc2C)C1 ZINC000958063094 613034117 /nfs/dbraw/zinc/03/41/17/613034117.db2.gz KXJGFEONDQIPNG-QWHCGFSZSA-N 1 0 290.367 -0.226 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2nonc2C)C1 ZINC000958749248 613034238 /nfs/dbraw/zinc/03/42/38/613034238.db2.gz VTNKEQICOTWONR-WDEREUQCSA-N 1 0 278.312 -0.576 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2cc(OC)no2)[C@H](O)C1 ZINC000957980731 613034652 /nfs/dbraw/zinc/03/46/52/613034652.db2.gz XLSFKXSWUDCAHM-GHMZBOCLSA-N 1 0 293.323 -0.271 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccnnc2C)[C@H](O)C1 ZINC000958223938 613034750 /nfs/dbraw/zinc/03/47/50/613034750.db2.gz RHRJYEHUXXJUJU-TZMCWYRMSA-N 1 0 288.351 -0.169 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(=O)[nH]2)[C@H](O)C1 ZINC000957961759 613034780 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C=CCOCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001155707064 815306948 /nfs/dbraw/zinc/30/69/48/815306948.db2.gz ABULEJBDBHJUIJ-JTQLQIEISA-N 1 0 255.318 -0.827 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001155707386 815306962 /nfs/dbraw/zinc/30/69/62/815306962.db2.gz JMCCXSYFASNYKR-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCOC1 ZINC001155663717 815304432 /nfs/dbraw/zinc/30/44/32/815304432.db2.gz XBGXBFCCLKMBTJ-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](C)[N@H+](CC)CCO)nn1 ZINC001155700359 815306388 /nfs/dbraw/zinc/30/63/88/815306388.db2.gz SCDBERLBTZMCPJ-LLVKDONJSA-N 1 0 281.360 -0.103 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001155707173 815307113 /nfs/dbraw/zinc/30/71/13/815307113.db2.gz DTGLMGSGSYDGFF-SNVBAGLBSA-N 1 0 283.328 -0.910 20 30 CBEDRO C=CCOCC(=O)NCCC[NH2+]Cc1nncn1C ZINC001155725453 815307889 /nfs/dbraw/zinc/30/78/89/815307889.db2.gz SDZYDWPFNZZLQQ-UHFFFAOYSA-N 1 0 267.333 -0.386 20 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/nfs/dbraw/zinc/31/75/32/815317532.db2.gz WLMFWVRAVOGPFZ-UHFFFAOYSA-N 1 0 293.302 -0.430 20 30 CBEDRO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cnnn1 ZINC001155999813 815328096 /nfs/dbraw/zinc/32/80/96/815328096.db2.gz FXSMIPMMDHVYLG-GFCCVEGCSA-N 1 0 278.360 -0.087 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCOC1 ZINC001156041122 815333163 /nfs/dbraw/zinc/33/31/63/815333163.db2.gz QSKIEJHHWXMUIA-LBPRGKRZSA-N 1 0 281.356 -0.742 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1cc[nH]n1 ZINC001156081667 815336229 /nfs/dbraw/zinc/33/62/29/815336229.db2.gz ONNCQOKATAOCQM-LLVKDONJSA-N 1 0 293.371 -0.261 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156124994 815338180 /nfs/dbraw/zinc/33/81/80/815338180.db2.gz DIPMERZWQDRLOR-LBPRGKRZSA-N 1 0 255.362 -0.011 20 30 CBEDRO C=CCOCCCC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001156159599 815342006 /nfs/dbraw/zinc/34/20/06/815342006.db2.gz AUZQYHAWDRNMDE-NSHDSACASA-N 1 0 271.361 -0.061 20 30 CBEDRO CN(c1cc(CC#N)ccn1)S(=O)(=O)CC[NH3+] 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C=CCOCCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001118488797 812557452 /nfs/dbraw/zinc/55/74/52/812557452.db2.gz XLDVOOBBZDPWPE-JHJVBQTASA-N 1 0 295.383 -0.191 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC001118510793 812564998 /nfs/dbraw/zinc/56/49/98/812564998.db2.gz MKSQXXBUCZGMBF-QJPTWQEYSA-N 1 0 299.346 -0.312 20 30 CBEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001118545246 812571881 /nfs/dbraw/zinc/57/18/81/812571881.db2.gz MLNUTKIOPTXAIC-CHWSQXEVSA-N 1 0 280.372 -0.059 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC001118553618 812575343 /nfs/dbraw/zinc/57/53/43/812575343.db2.gz VREIKCCNGGNQND-UHFFFAOYSA-N 1 0 269.345 -0.498 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnc2n1CCOC2 ZINC001118569866 812578832 /nfs/dbraw/zinc/57/88/32/812578832.db2.gz PZUBVJRUHWFJEI-BDAKNGLRSA-N 1 0 261.285 -0.745 20 30 CBEDRO COCC#CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC001118696486 812602379 /nfs/dbraw/zinc/60/23/79/812602379.db2.gz GNWUWUIKVUHZAB-GFCCVEGCSA-N 1 0 268.357 -0.060 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)COC ZINC001158637322 815541686 /nfs/dbraw/zinc/54/16/86/815541686.db2.gz JVNFYEIITRHLKL-LLVKDONJSA-N 1 0 269.345 -0.743 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001118827716 812636106 /nfs/dbraw/zinc/63/61/06/812636106.db2.gz QKYYGNZJTHSYON-QWRGUYRKSA-N 1 0 267.333 -0.471 20 30 CBEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001118859886 812643161 /nfs/dbraw/zinc/64/31/61/812643161.db2.gz NSUGKTWNTOEACM-WDEREUQCSA-N 1 0 290.327 -0.398 20 30 CBEDRO CO[C@@H]1CN(c2ncnc3[nH]cc(C#N)c32)C[C@@H]1[NH3+] ZINC001158704646 815543374 /nfs/dbraw/zinc/54/33/74/815543374.db2.gz YJQZAPLJRWPSDA-DTWKUNHWSA-N 1 0 258.285 -0.008 20 30 CBEDRO C=CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])[C@@H](C)COC ZINC001118902734 812658116 /nfs/dbraw/zinc/65/81/16/812658116.db2.gz NMZZVKRTEDTIDY-MNOVXSKESA-N 1 0 271.361 -0.159 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001118925894 812664355 /nfs/dbraw/zinc/66/43/55/812664355.db2.gz WWOVIEZCAJMRPK-WDEREUQCSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CC[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC001118923756 812664487 /nfs/dbraw/zinc/66/44/87/812664487.db2.gz BVGHRLHQPBBCRU-ZDUSSCGKSA-N 1 0 294.399 -0.568 20 30 CBEDRO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001118927617 812665606 /nfs/dbraw/zinc/66/56/06/812665606.db2.gz GWARNJBWXFJKNK-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001158734249 815545365 /nfs/dbraw/zinc/54/53/65/815545365.db2.gz YFCGLDIVBZEJTL-UHFFFAOYSA-N 1 0 278.360 -0.300 20 30 CBEDRO N#C[C@]1(F)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC001118973065 812679420 /nfs/dbraw/zinc/67/94/20/812679420.db2.gz AVRZDIRJDZKBFT-ZWNOBZJWSA-N 1 0 282.319 -0.210 20 30 CBEDRO C=CCN(C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)COC ZINC001118974844 812679623 /nfs/dbraw/zinc/67/96/23/812679623.db2.gz DSAWQBIUOINFHU-RWMBFGLXSA-N 1 0 295.383 -0.001 20 30 CBEDRO CC(C)OC[C@@H](O)C[NH2+]CCn1cnc(C#N)n1 ZINC001119004490 812689399 /nfs/dbraw/zinc/68/93/99/812689399.db2.gz ZSLOIUWIRDTQBB-JTQLQIEISA-N 1 0 253.306 -0.475 20 30 CBEDRO COC(=O)c1cc(C#N)cnc1N1C[C@H]([NH3+])C2(COC2)C1 ZINC001158769683 815547005 /nfs/dbraw/zinc/54/70/05/815547005.db2.gz SMUJPYFIEBIUAO-NSHDSACASA-N 1 0 288.307 -0.096 20 30 CBEDRO COC(=O)c1cc(C#N)cnc1N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001158769680 815547066 /nfs/dbraw/zinc/54/70/66/815547066.db2.gz SMUJPYFIEBIUAO-LLVKDONJSA-N 1 0 288.307 -0.096 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)C1CS(=O)(=O)C1 ZINC001158792103 815547274 /nfs/dbraw/zinc/54/72/74/815547274.db2.gz RTICBWBPHCSHGT-UHFFFAOYSA-N 1 0 290.385 -0.671 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001119156635 812720301 /nfs/dbraw/zinc/72/03/01/812720301.db2.gz QVEMJIUTBBUFQV-YNEHKIRRSA-N 1 0 295.383 -0.144 20 30 CBEDRO CC(C)([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119296863 812745887 /nfs/dbraw/zinc/74/58/87/812745887.db2.gz 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CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001121654359 813072973 /nfs/dbraw/zinc/07/29/73/813072973.db2.gz SSSTZEPTGSPBFA-VDZFAJSBSA-N 1 0 290.367 -0.292 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC001121883494 813082626 /nfs/dbraw/zinc/08/26/26/813082626.db2.gz RXSPYMSCANKBQG-NXEZZACHSA-N 1 0 258.343 -0.757 20 30 CBEDRO N#C[C@@H](Nc1nc(Cl)nc2c1CC[NH2+]C2)C(N)=O ZINC001159469084 815575474 /nfs/dbraw/zinc/57/54/74/815575474.db2.gz UIKKVHAQNPQOPT-ZCFIWIBFSA-N 1 0 266.692 -0.435 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC001121941826 813092793 /nfs/dbraw/zinc/09/27/93/813092793.db2.gz NQYWACLWMHMMLE-UHFFFAOYSA-N 1 0 291.326 -0.177 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCN1C(=O)COc2ccccc21 ZINC001121945385 813094950 /nfs/dbraw/zinc/09/49/50/813094950.db2.gz XIXITTBTXPGUAN-UHFFFAOYSA-N 1 0 287.319 -0.249 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC001121960783 813097417 /nfs/dbraw/zinc/09/74/17/813097417.db2.gz 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C[NH+](C)CCC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 ZINC001122544032 813174686 /nfs/dbraw/zinc/17/46/86/813174686.db2.gz QRVKSKUWAJDJDT-NSHDSACASA-N 1 0 292.343 -0.811 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159801560 815595972 /nfs/dbraw/zinc/59/59/72/815595972.db2.gz PZNAVBAOCQWBJM-LBPRGKRZSA-N 1 0 281.356 -0.742 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C[C@@H]1CCNC1=O ZINC001159800092 815596377 /nfs/dbraw/zinc/59/63/77/815596377.db2.gz KRYKOARGYZHKRF-NSHDSACASA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)C[C@H]1CCNC1=O ZINC001159800091 815596732 /nfs/dbraw/zinc/59/67/32/815596732.db2.gz KRYKOARGYZHKRF-LLVKDONJSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cnc(C)o1 ZINC001159809525 815597929 /nfs/dbraw/zinc/59/79/29/815597929.db2.gz PXCUXIGBAQVZSL-UHFFFAOYSA-N 1 0 292.339 -0.629 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(F)c1 ZINC001122882737 813193851 /nfs/dbraw/zinc/19/38/51/813193851.db2.gz FIHMDIBNMRMEPL-UHFFFAOYSA-N 1 0 277.299 -0.106 20 30 CBEDRO 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264.329 -0.874 20 30 CBEDRO N#CCSCC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001123792163 813272754 /nfs/dbraw/zinc/27/27/54/813272754.db2.gz LDLKQDCGYLYUJK-LLVKDONJSA-N 1 0 298.412 -0.135 20 30 CBEDRO Cn1cc(C[NH2+]CCNC(=O)CSCC#N)cn1 ZINC001123787739 813273111 /nfs/dbraw/zinc/27/31/11/813273111.db2.gz VMQDJFZRNXIWCT-UHFFFAOYSA-N 1 0 267.358 -0.117 20 30 CBEDRO CC[C@H]([NH2+]CCNC(=O)CSCC#N)C(N)=O ZINC001123799237 813273933 /nfs/dbraw/zinc/27/39/33/813273933.db2.gz NIACLOQAEVWWSZ-QMMMGPOBSA-N 1 0 258.347 -0.787 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1COCCO1 ZINC001123876803 813285764 /nfs/dbraw/zinc/28/57/64/813285764.db2.gz MHCNRCUGRNPKAZ-LLVKDONJSA-N 1 0 258.318 -0.690 20 30 CBEDRO C#CCN(C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001123885713 813287799 /nfs/dbraw/zinc/28/77/99/813287799.db2.gz JGBPPZPLAHYQSB-LBPRGKRZSA-N 1 0 252.362 -0.103 20 30 CBEDRO CS[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001123938702 813296763 /nfs/dbraw/zinc/29/67/63/813296763.db2.gz YTLUOZGXEPQEGQ-MRVPVSSYSA-N 1 0 258.347 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JBWYUOJABOJWAT-SNVBAGLBSA-N 1 0 282.344 -0.853 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCCC ZINC001124455184 813442723 /nfs/dbraw/zinc/44/27/23/813442723.db2.gz QWYVQBBYONECIW-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124484168 813444102 /nfs/dbraw/zinc/44/41/02/813444102.db2.gz RUUYIUKSFDVBCZ-LLVKDONJSA-N 1 0 282.344 -0.687 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC=C ZINC001124483304 813444828 /nfs/dbraw/zinc/44/48/28/813444828.db2.gz MFPWGKWPHCJRQG-GFCCVEGCSA-N 1 0 283.372 -0.024 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)OCCC=C ZINC001124487340 813446060 /nfs/dbraw/zinc/44/60/60/813446060.db2.gz BQMSBSRSWVXJQB-GFCCVEGCSA-N 1 0 281.356 -0.577 20 30 CBEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC ZINC001124488541 813446108 /nfs/dbraw/zinc/44/61/08/813446108.db2.gz QGVICXMLLCVYHO-LLVKDONJSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCCC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001124641000 813462815 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813463096 /nfs/dbraw/zinc/46/30/96/813463096.db2.gz YQYZNDBMDWBVON-LBPRGKRZSA-N 1 0 274.361 -0.318 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCCOC1 ZINC001124691674 813470355 /nfs/dbraw/zinc/47/03/55/813470355.db2.gz UKTUJNOVZSVQLB-LBPRGKRZSA-N 1 0 254.330 -0.231 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001124764722 813476227 /nfs/dbraw/zinc/47/62/27/813476227.db2.gz AUTXTBLOYJVGLL-NSHDSACASA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]Cc1cncn1C ZINC001124765239 813477987 /nfs/dbraw/zinc/47/79/87/813477987.db2.gz PMBHEEWGKMVSFQ-UHFFFAOYSA-N 1 0 252.318 -0.172 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001124765213 813478431 /nfs/dbraw/zinc/47/84/31/813478431.db2.gz ORHNNPXMXPFFJO-UHFFFAOYSA-N 1 0 281.360 -0.197 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001124767257 813479005 /nfs/dbraw/zinc/47/90/05/813479005.db2.gz AMTUOIRGLGAPBW-LBPRGKRZSA-N 1 0 299.371 -0.858 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COCC=C ZINC001124787772 813479859 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C[C@H](C#N)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001124895630 813497600 /nfs/dbraw/zinc/49/76/00/813497600.db2.gz IIKSNKMONBNYBU-NXEZZACHSA-N 1 0 273.358 -0.713 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001124902510 813497794 /nfs/dbraw/zinc/49/77/94/813497794.db2.gz JTZZCPUTIRMZSR-GHMZBOCLSA-N 1 0 282.344 -0.995 20 30 CBEDRO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124897482 813498572 /nfs/dbraw/zinc/49/85/72/813498572.db2.gz UQCJEDMWZLFLDM-SECBINFHSA-N 1 0 264.333 -0.240 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124907838 813499279 /nfs/dbraw/zinc/49/92/79/813499279.db2.gz ALXPWETYKRKQDB-VHSXEESVSA-N 1 0 252.318 -0.457 20 30 CBEDRO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908335 813499666 /nfs/dbraw/zinc/49/96/66/813499666.db2.gz IQEIQIJVASFKSK-MNOVXSKESA-N 1 0 284.360 -0.607 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124907837 813500181 /nfs/dbraw/zinc/50/01/81/813500181.db2.gz ALXPWETYKRKQDB-UWVGGRQHSA-N 1 0 252.318 -0.457 20 30 CBEDRO CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124903570 813500305 /nfs/dbraw/zinc/50/03/05/813500305.db2.gz RYUJCFPSIPMFEQ-SNVBAGLBSA-N 1 0 254.334 -0.376 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001124908674 813501272 /nfs/dbraw/zinc/50/12/72/813501272.db2.gz PAIQSQCDOHLOFY-WDEREUQCSA-N 1 0 265.317 -0.891 20 30 CBEDRO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)C(=O)NC1CC1 ZINC001124909035 813501843 /nfs/dbraw/zinc/50/18/43/813501843.db2.gz YCBCFLSJFXSVCB-DTWKUNHWSA-N 1 0 252.318 -0.481 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124908858 813502176 /nfs/dbraw/zinc/50/21/76/813502176.db2.gz TYZYADIFCHTOAT-ZJUUUORDSA-N 1 0 295.343 -0.748 20 30 CBEDRO N#Cc1cccc(C[NH2+]CCNC(=O)CC(N)=O)c1 ZINC001125080022 813516273 /nfs/dbraw/zinc/51/62/73/813516273.db2.gz LRCGHKDJSQSKME-UHFFFAOYSA-N 1 0 260.297 -0.361 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)CC(N)=O ZINC001125079622 813516450 /nfs/dbraw/zinc/51/64/50/813516450.db2.gz CKDODBCARCNDSL-UHFFFAOYSA-N 1 0 264.123 -0.524 20 30 CBEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CC(N)=O ZINC001125094810 813519915 /nfs/dbraw/zinc/51/99/15/813519915.db2.gz FDFLMRRTHXMMDE-NSHDSACASA-N 1 0 298.387 -0.619 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc[nH]n1 ZINC001125164044 813527367 /nfs/dbraw/zinc/52/73/67/813527367.db2.gz ADYOAHROVMWCLW-SNVBAGLBSA-N 1 0 279.344 -0.651 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccncc1F ZINC001125180570 813528371 /nfs/dbraw/zinc/52/83/71/813528371.db2.gz GXMLXDRQSYNBDB-JTQLQIEISA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCOCC=C ZINC001125248014 813539799 /nfs/dbraw/zinc/53/97/99/813539799.db2.gz MFOCQSRJPYKPIO-UHFFFAOYSA-N 1 0 281.356 -0.576 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC1CCC1 ZINC001125276397 813540753 /nfs/dbraw/zinc/54/07/53/813540753.db2.gz GFABQSRPIJWTEP-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)/C=C\C1CC1 ZINC001125270466 813540903 /nfs/dbraw/zinc/54/09/03/813540903.db2.gz NODXPLZODOPJCW-ZADCQDASSA-N 1 0 263.341 -0.204 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C1CC1 ZINC001125334096 813544198 /nfs/dbraw/zinc/54/41/98/813544198.db2.gz JDVJRZCUSJVAEW-JTQLQIEISA-N 1 0 251.330 -0.512 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ocnc1C ZINC001125331257 813544665 /nfs/dbraw/zinc/54/46/65/813544665.db2.gz UBMGXCOWBBMBSN-JTQLQIEISA-N 1 0 280.328 -0.007 20 30 CBEDRO COCCOCC[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125391032 813547560 /nfs/dbraw/zinc/54/75/60/813547560.db2.gz OQRMFCOSFCHUOU-UHFFFAOYSA-N 1 0 280.328 -0.131 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCOC1 ZINC001125473181 813553700 /nfs/dbraw/zinc/55/37/00/813553700.db2.gz OFMMFYWIBRZAIL-GFCCVEGCSA-N 1 0 281.356 -0.742 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)/C(C)=C/C ZINC001125462343 813554563 /nfs/dbraw/zinc/55/45/63/813554563.db2.gz XWJXXYVAHSCRPW-CDCCAWJDSA-N 1 0 251.330 -0.204 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc(C)[nH]n1 ZINC001125561487 813561151 /nfs/dbraw/zinc/56/11/51/813561151.db2.gz CWGFIPJRBMMHOE-LLVKDONJSA-N 1 0 293.371 -0.343 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125630429 813566693 /nfs/dbraw/zinc/56/66/93/813566693.db2.gz IRILGSPQBQHKBF-NSHDSACASA-N 1 0 269.345 -0.579 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCCO1 ZINC001125716720 813573288 /nfs/dbraw/zinc/57/32/88/813573288.db2.gz CLKLGHJRVMRLAE-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCCO1 ZINC001125719271 813575037 /nfs/dbraw/zinc/57/50/37/813575037.db2.gz XVZSCNUODGUQOT-LBPRGKRZSA-N 1 0 254.330 -0.089 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCO1 ZINC001125728222 813575185 /nfs/dbraw/zinc/57/51/85/813575185.db2.gz DDDUVRSGOHMIJW-NEPJUHHUSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCO1 ZINC001125728224 813576033 /nfs/dbraw/zinc/57/60/33/813576033.db2.gz DDDUVRSGOHMIJW-RYUDHWBXSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)n1cccc1 ZINC001125758574 813579479 /nfs/dbraw/zinc/57/94/79/813579479.db2.gz XKCRGMMZDVGBLS-GFCCVEGCSA-N 1 0 276.340 -0.496 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1(C)C ZINC001125793481 813581120 /nfs/dbraw/zinc/58/11/20/813581120.db2.gz ZMYPUULVJMZFCR-JTQLQIEISA-N 1 0 251.330 -0.512 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1(C)C ZINC001125792363 813581969 /nfs/dbraw/zinc/58/19/69/813581969.db2.gz MGYSNVPMHVXEGQ-JTQLQIEISA-N 1 0 296.371 -0.250 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC2CC2)[nH]1 ZINC001125776534 813582146 /nfs/dbraw/zinc/58/21/46/813582146.db2.gz RCIJMZQZHVKGNJ-UHFFFAOYSA-N 1 0 275.312 -0.516 20 30 CBEDRO CN1CC[C@@H]([NH2+]CCNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001125818512 813583666 /nfs/dbraw/zinc/58/36/66/813583666.db2.gz JYHCGYGOEOGFRF-LLVKDONJSA-N 1 0 275.312 -0.564 20 30 CBEDRO Cc1ccc(CC(=O)NCC[NH2+]CC(=O)NCC#N)o1 ZINC001125858711 813585555 /nfs/dbraw/zinc/58/55/55/813585555.db2.gz QKZQHBMAUZLEKO-UHFFFAOYSA-N 1 0 278.312 -0.524 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125883820 813587107 /nfs/dbraw/zinc/58/71/07/813587107.db2.gz FYGIVBHHVANSIF-XHDPSFHLSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CN1CCOCC1 ZINC001125902544 813588629 /nfs/dbraw/zinc/58/86/29/813588629.db2.gz MKHINAROWLTUPI-UHFFFAOYSA-N 1 0 271.361 -0.773 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)n1cncn1 ZINC001125917737 813590870 /nfs/dbraw/zinc/59/08/70/813590870.db2.gz HJQLEQBLZSDVAL-QWRGUYRKSA-N 1 0 294.359 -0.764 20 30 CBEDRO C#CCCCCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001125934523 813594176 /nfs/dbraw/zinc/59/41/76/813594176.db2.gz AXSDUCACGXFVLN-UHFFFAOYSA-N 1 0 274.386 -0.070 20 30 CBEDRO COCCOCC[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988213 813598438 /nfs/dbraw/zinc/59/84/38/813598438.db2.gz PSKUSIWBTAIONM-UHFFFAOYSA-N 1 0 280.328 -0.131 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCOCC(F)F ZINC001125981836 813598536 /nfs/dbraw/zinc/59/85/36/813598536.db2.gz MCKLYXOHWHUPBW-UHFFFAOYSA-N 1 0 291.298 -0.887 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC001125982028 813598672 /nfs/dbraw/zinc/59/86/72/813598672.db2.gz PHQGGBGZSUGKQP-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccccn1 ZINC001125977717 813599001 /nfs/dbraw/zinc/59/90/01/813599001.db2.gz DTJDFVCVYOOFRE-UHFFFAOYSA-N 1 0 274.324 -0.573 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001125981612 813599225 /nfs/dbraw/zinc/59/92/25/813599225.db2.gz CFUPVGZOLVMOHV-ZDUSSCGKSA-N 1 0 295.383 -0.209 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125978108 813599251 /nfs/dbraw/zinc/59/92/51/813599251.db2.gz LPQWMFZGGDPBOT-SNVBAGLBSA-N 1 0 289.339 -0.104 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001125978837 813599369 /nfs/dbraw/zinc/59/93/69/813599369.db2.gz ZWFIMXFFZGRSPU-UHFFFAOYSA-N 1 0 298.346 -0.096 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H](OCC)C1CC1 ZINC001125998769 813599923 /nfs/dbraw/zinc/59/99/23/813599923.db2.gz VSJHQFCNKQSNSE-ZDUSSCGKSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001125998126 813600151 /nfs/dbraw/zinc/60/01/51/813600151.db2.gz KUAJZRAIKLGBGW-LBPRGKRZSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H](OC)C1CCC1 ZINC001125999125 813600224 /nfs/dbraw/zinc/60/02/24/813600224.db2.gz YEGVCSIWMGHWOW-CYBMUJFWSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCOCC(C)C ZINC001125995070 813600267 /nfs/dbraw/zinc/60/02/67/813600267.db2.gz RYJMTJFWWGCBJN-UHFFFAOYSA-N 1 0 283.372 -0.496 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001125998364 813600964 /nfs/dbraw/zinc/60/09/64/813600964.db2.gz PGVQGNQDNLYSSA-CYBMUJFWSA-N 1 0 295.383 -0.352 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001125998308 813601012 /nfs/dbraw/zinc/60/10/12/813601012.db2.gz OMGTVTSAROGCLH-SWLSCSKDSA-N 1 0 293.367 -0.742 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(OC)no1 ZINC001126036616 813607182 /nfs/dbraw/zinc/60/71/82/813607182.db2.gz JVOKIYCPPFJJTJ-SECBINFHSA-N 1 0 296.327 -0.307 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(F)cn1 ZINC001126066055 813609529 /nfs/dbraw/zinc/60/95/29/813609529.db2.gz BMYWMDWDDILMSG-UHFFFAOYSA-N 1 0 278.287 -0.711 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(F)cn1 ZINC001126086870 813610737 /nfs/dbraw/zinc/61/07/37/813610737.db2.gz ROYIFVKOHXKANH-JTQLQIEISA-N 1 0 292.314 -0.322 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1=CCOCC1 ZINC001126147502 813619114 /nfs/dbraw/zinc/61/91/14/813619114.db2.gz JQRWIPYSERKPAA-LLVKDONJSA-N 1 0 279.340 -0.823 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnnc(C)c1 ZINC001126275945 813632643 /nfs/dbraw/zinc/63/26/43/813632643.db2.gz SKTOKGUVELUHQT-LLVKDONJSA-N 1 0 289.339 -0.758 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001126366601 813640699 /nfs/dbraw/zinc/64/06/99/813640699.db2.gz XCLCUGGZBVGGAS-CQSZACIVSA-N 1 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C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CC)O1 ZINC001128544703 813781444 /nfs/dbraw/zinc/78/14/44/813781444.db2.gz PKAOHJDIYZJBIU-RYUDHWBXSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](CC)O1 ZINC001128544000 813781908 /nfs/dbraw/zinc/78/19/08/813781908.db2.gz GVCQMTHKACICLM-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CNS(=O)(=O)CC ZINC001128594591 813783445 /nfs/dbraw/zinc/78/34/45/813783445.db2.gz HPTIUESOPOVJIC-UHFFFAOYSA-N 1 0 263.363 -0.792 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001128640576 813788271 /nfs/dbraw/zinc/78/82/71/813788271.db2.gz WXKSZJWLZXNDBQ-CYBMUJFWSA-N 1 0 295.383 -0.401 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001128640578 813788396 /nfs/dbraw/zinc/78/83/96/813788396.db2.gz WXKSZJWLZXNDBQ-ZDUSSCGKSA-N 1 0 295.383 -0.401 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128649773 813788600 /nfs/dbraw/zinc/78/86/00/813788600.db2.gz HOZYVJAEIBUUKE-LBPRGKRZSA-N 1 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20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(COC)CCOC1 ZINC001131902406 814083093 /nfs/dbraw/zinc/08/30/93/814083093.db2.gz PEOKZFMNNCULOI-AWEZNQCLSA-N 1 0 284.356 -0.605 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001131905524 814083931 /nfs/dbraw/zinc/08/39/31/814083931.db2.gz SPDYGJGMNVUUCZ-QWHCGFSZSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001131908167 814084008 /nfs/dbraw/zinc/08/40/08/814084008.db2.gz SWYSAWIAFYCNCX-LLVKDONJSA-N 1 0 276.340 -0.123 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](OC)C1CCC1 ZINC001131956694 814087802 /nfs/dbraw/zinc/08/78/02/814087802.db2.gz HZXPPKNNNWXOCP-ZDUSSCGKSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C1CCC1 ZINC001131956693 814088339 /nfs/dbraw/zinc/08/83/39/814088339.db2.gz HZXPPKNNNWXOCP-CYBMUJFWSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2csnn2)C1=O ZINC001131976426 814091883 /nfs/dbraw/zinc/09/18/83/814091883.db2.gz 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ZINC001132424558 814148166 /nfs/dbraw/zinc/14/81/66/814148166.db2.gz RHJNWJVIUMLCLZ-GMTAPVOTSA-N 1 0 251.330 -0.514 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)CC ZINC001132442698 814150629 /nfs/dbraw/zinc/15/06/29/814150629.db2.gz AHUKEJSVQVUDOB-UWVGGRQHSA-N 1 0 257.309 -0.422 20 30 CBEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)C=CCC1 ZINC001132502226 814154493 /nfs/dbraw/zinc/15/44/93/814154493.db2.gz NFHQZQPZMIOWFY-ZDUSSCGKSA-N 1 0 264.329 -0.312 20 30 CBEDRO Cc1cocc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132483173 814154951 /nfs/dbraw/zinc/15/49/51/814154951.db2.gz SRYOLPDVQQDDTB-UHFFFAOYSA-N 1 0 264.285 -0.453 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C/C=C(\C)C=C ZINC001132492813 814155456 /nfs/dbraw/zinc/15/54/56/814155456.db2.gz JPAGTMLOLGMFSN-WUXMJOGZSA-N 1 0 263.341 -0.036 20 30 CBEDRO Cn1nnc(C(=O)NCC[NH2+]Cc2cccc(C#N)c2)n1 ZINC001132523456 814156469 /nfs/dbraw/zinc/15/64/69/814156469.db2.gz KDCFVBUJOLNUNM-UHFFFAOYSA-N 1 0 285.311 -0.399 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)cnn1C ZINC001132559428 814164102 /nfs/dbraw/zinc/16/41/02/814164102.db2.gz QOPNOTDOQDYKEH-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132568952 814164208 /nfs/dbraw/zinc/16/42/08/814164208.db2.gz IHXLOVLLLSAPHF-WDEREUQCSA-N 1 0 266.345 -0.210 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132560750 814164545 /nfs/dbraw/zinc/16/45/45/814164545.db2.gz APRGSLZNCWHRKQ-GHMZBOCLSA-N 1 0 271.336 -0.176 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(C)=O)CC[C@@H]1C ZINC001132570751 814164647 /nfs/dbraw/zinc/16/46/47/814164647.db2.gz BNBNEZNTAVLHFF-AAEUAGOBSA-N 1 0 265.357 -0.170 20 30 CBEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132569564 814164768 /nfs/dbraw/zinc/16/47/68/814164768.db2.gz ULYOSODJWUVOMP-NXEZZACHSA-N 1 0 284.360 -0.394 20 30 CBEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001132569265 814164949 /nfs/dbraw/zinc/16/49/49/814164949.db2.gz 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ZINC001132763894 814186469 /nfs/dbraw/zinc/18/64/69/814186469.db2.gz FBXWMMWPIDZSJR-LLVKDONJSA-N 1 0 269.345 -0.484 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CC(=O)NC)CC[C@@H]1C ZINC001132773517 814187088 /nfs/dbraw/zinc/18/70/88/814187088.db2.gz LSTNCGWCVXHUSU-RYUDHWBXSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CC(=O)NC)CC[C@H]1C ZINC001132773518 814187764 /nfs/dbraw/zinc/18/77/64/814187764.db2.gz LSTNCGWCVXHUSU-VXGBXAGGSA-N 1 0 265.357 -0.170 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132795288 814189539 /nfs/dbraw/zinc/18/95/39/814189539.db2.gz PSKCMISWUMKFDS-NSHDSACASA-N 1 0 251.330 -0.275 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](C)c1cncnc1 ZINC001132820006 814191102 /nfs/dbraw/zinc/19/11/02/814191102.db2.gz GDNSYTBOWJTGNV-LBPRGKRZSA-N 1 0 276.340 -0.064 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823620 814192226 /nfs/dbraw/zinc/19/22/26/814192226.db2.gz JFCUCSLRMGICPR-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132824542 814192231 /nfs/dbraw/zinc/19/22/31/814192231.db2.gz TZEUXZYTWJRURO-AAEUAGOBSA-N 1 0 277.368 -0.041 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823344 814192446 /nfs/dbraw/zinc/19/24/46/814192446.db2.gz DGOBVDZTKKVFRN-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132895321 814199399 /nfs/dbraw/zinc/19/93/99/814199399.db2.gz FRKZIPFFGXPTBM-SNVBAGLBSA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132954810 814202399 /nfs/dbraw/zinc/20/23/99/814202399.db2.gz RUCNPUKZJRAEGU-UHFFFAOYSA-N 1 0 258.285 -0.684 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132949843 814202571 /nfs/dbraw/zinc/20/25/71/814202571.db2.gz IAOYONCVMRQEMF-UHFFFAOYSA-N 1 0 293.323 -0.723 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133000664 814207426 /nfs/dbraw/zinc/20/74/26/814207426.db2.gz GPRPFOWJLPVCSC-SNVBAGLBSA-N 1 0 261.329 -0.046 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132998155 814207665 /nfs/dbraw/zinc/20/76/65/814207665.db2.gz PLDIYHJKWRCJCR-JTQLQIEISA-N 1 0 261.329 -0.046 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)c2nnn(C)n2)CC[C@@H]1C ZINC001133036524 814211038 /nfs/dbraw/zinc/21/10/38/814211038.db2.gz QXMHUEGLMAMTGV-RYUDHWBXSA-N 1 0 290.371 -0.079 20 30 CBEDRO CO[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133075826 814213502 /nfs/dbraw/zinc/21/35/02/814213502.db2.gz DHIJTCXWIAHSNM-NWDGAFQWSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1C ZINC001133081767 814215220 /nfs/dbraw/zinc/21/52/20/814215220.db2.gz BNYXERRJVMOLJA-RYUDHWBXSA-N 1 0 277.368 -0.041 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133151567 814219873 /nfs/dbraw/zinc/21/98/73/814219873.db2.gz DYVYOJVYODNBGL-UHFFFAOYSA-N 1 0 263.363 -0.663 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001133154642 814220509 /nfs/dbraw/zinc/22/05/09/814220509.db2.gz ODZWJNMQLARGTQ-VIFPVBQESA-N 1 0 270.333 -0.368 20 30 CBEDRO NC(=O)C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001133193067 814226615 /nfs/dbraw/zinc/22/66/15/814226615.db2.gz NKKBHORSXRBJLW-UHFFFAOYSA-N 1 0 279.727 -0.117 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001133324425 814240884 /nfs/dbraw/zinc/24/08/84/814240884.db2.gz VYJARWSDNDJBBZ-NEPJUHHUSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C(C)C ZINC001133342459 814243476 /nfs/dbraw/zinc/24/34/76/814243476.db2.gz JKILGZRVKRVKRS-GFCCVEGCSA-N 1 0 269.345 -0.887 20 30 CBEDRO C=C1CCC(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001133362421 814248642 /nfs/dbraw/zinc/24/86/42/814248642.db2.gz FLLHFOSCYJVJSX-UHFFFAOYSA-N 1 0 282.344 -0.367 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC1 ZINC001133441491 814254205 /nfs/dbraw/zinc/25/42/05/814254205.db2.gz CGYUBGQEVXEAAG-VHSXEESVSA-N 1 0 266.345 -0.091 20 30 CBEDRO C[C@@H]1COCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133497436 814265065 /nfs/dbraw/zinc/26/50/65/814265065.db2.gz QMKHIURBHNZREB-MNOVXSKESA-N 1 0 282.344 -0.995 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](COC)OC ZINC001133517880 814269350 /nfs/dbraw/zinc/26/93/50/814269350.db2.gz WMBYFKVZGVRFSQ-NSHDSACASA-N 1 0 258.318 -0.997 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCCO1 ZINC001133528752 814271392 /nfs/dbraw/zinc/27/13/92/814271392.db2.gz LTMOLVRMPDRLNF-NEPJUHHUSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619942 814279091 /nfs/dbraw/zinc/27/90/91/814279091.db2.gz ORNWTLVJCSJSSL-GHMZBOCLSA-N 1 0 286.376 -0.270 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CC2(CC2)C1 ZINC001133646627 814282226 /nfs/dbraw/zinc/28/22/26/814282226.db2.gz UMDXAAPTVJKDFN-UHFFFAOYSA-N 1 0 263.341 -0.368 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133642923 814282116 /nfs/dbraw/zinc/28/21/16/814282116.db2.gz BKQWXUZSMDANEV-UHFFFAOYSA-N 1 0 279.340 -0.093 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133694630 814289025 /nfs/dbraw/zinc/28/90/25/814289025.db2.gz UOANKMMZPWWDSW-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@]1(C)CCNC1=O ZINC001133766927 814294385 /nfs/dbraw/zinc/29/43/85/814294385.db2.gz PYMIWTSKLHWZSB-CYBMUJFWSA-N 1 0 269.345 -0.579 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133789132 814296789 /nfs/dbraw/zinc/29/67/89/814296789.db2.gz JISOXFVZOZVUIU-VHSXEESVSA-N 1 0 255.318 -0.152 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774479 814297052 /nfs/dbraw/zinc/29/70/52/814297052.db2.gz XRXLNASTSWWPEK-WDEREUQCSA-N 1 0 269.345 -0.309 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001133807796 814298037 /nfs/dbraw/zinc/29/80/37/814298037.db2.gz PHWIVLLXNCRRNM-GHMZBOCLSA-N 1 0 291.355 -0.354 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CS(C)(=O)=O ZINC001133849396 814308374 /nfs/dbraw/zinc/30/83/74/814308374.db2.gz WVINTODSYPXGPQ-MNOVXSKESA-N 1 0 274.386 -0.073 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC=C ZINC001133910084 814324163 /nfs/dbraw/zinc/32/41/63/814324163.db2.gz VOBPMYYRLYNCPK-QWHCGFSZSA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C(C)(F)F ZINC001133967749 814331736 /nfs/dbraw/zinc/33/17/36/814331736.db2.gz BZYOVUNGIZHRII-SECBINFHSA-N 1 0 275.299 -0.267 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001134053253 814345685 /nfs/dbraw/zinc/34/56/85/814345685.db2.gz PQSOPHCECWLDEM-UPJWGTAASA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001134053377 814345833 /nfs/dbraw/zinc/34/58/33/814345833.db2.gz UNSQZRMEFAXKCW-UTUOFQBUSA-N 1 0 272.345 -0.709 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCOCCOC ZINC001134053047 814346222 /nfs/dbraw/zinc/34/62/22/814346222.db2.gz LNWSWJMQAOQBMG-OLZOCXBDSA-N 1 0 286.372 -0.054 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001134053399 814346558 /nfs/dbraw/zinc/34/65/58/814346558.db2.gz VSZXIBVWZKDMAA-NEPJUHHUSA-N 1 0 272.345 -0.708 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001134054354 814347529 /nfs/dbraw/zinc/34/75/29/814347529.db2.gz GRBSULFOUBDFAH-MXWKQRLJSA-N 1 0 269.345 -0.453 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001134058517 814347570 /nfs/dbraw/zinc/34/75/70/814347570.db2.gz RPJZVHWFBUCSGF-NEPJUHHUSA-N 1 0 281.356 -0.484 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134062084 814347894 /nfs/dbraw/zinc/34/78/94/814347894.db2.gz QOLVCKOIHAGUBP-VWYCJHECSA-N 1 0 267.329 -0.828 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001134061977 814348322 /nfs/dbraw/zinc/34/83/22/814348322.db2.gz MAZFVFULUMFTIR-NEPJUHHUSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001134062243 814349162 /nfs/dbraw/zinc/34/91/62/814349162.db2.gz UGSAIQLEZROORC-UHTWSYAYSA-N 1 0 295.383 -0.050 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099349 814350502 /nfs/dbraw/zinc/35/05/02/814350502.db2.gz QQFPPXIQCDXOHB-LLVKDONJSA-N 1 0 276.344 -0.645 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134110134 814353146 /nfs/dbraw/zinc/35/31/46/814353146.db2.gz JETVAMCHHSKOFL-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117074 814355119 /nfs/dbraw/zinc/35/51/19/814355119.db2.gz CWPKMHNCDBAYQI-LPWJVIDDSA-N 1 0 293.367 -0.602 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CN=NC1=O ZINC001134135431 814355643 /nfs/dbraw/zinc/35/56/43/814355643.db2.gz UJHJXCPQFOTFLW-MNOVXSKESA-N 1 0 279.344 -0.120 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134139050 814355763 /nfs/dbraw/zinc/35/57/63/814355763.db2.gz OYUIRNVDDZWRIQ-UHFFFAOYSA-N 1 0 276.340 -0.306 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCO ZINC001134131225 814355901 /nfs/dbraw/zinc/35/59/01/814355901.db2.gz SHWONESXGAOOPW-VXGBXAGGSA-N 1 0 283.372 -0.619 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134135723 814356466 /nfs/dbraw/zinc/35/64/66/814356466.db2.gz KURGJYGUWKTIFM-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001134161702 814358077 /nfs/dbraw/zinc/35/80/77/814358077.db2.gz ZWIWYQRHWNKKNW-IUCAKERBSA-N 1 0 277.328 -0.142 20 30 CBEDRO CC[C@H](NC(C)=O)C(=O)NCC[NH2+]CC#CCOC ZINC001134169027 814359345 /nfs/dbraw/zinc/35/93/45/814359345.db2.gz YNAOBFNGPSLWTH-LBPRGKRZSA-N 1 0 269.345 -0.743 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](CC)NC(C)=O ZINC001134175717 814361547 /nfs/dbraw/zinc/36/15/47/814361547.db2.gz ZVCCUMPEYBNOID-LBPRGKRZSA-N 1 0 271.361 -0.191 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)(C)O ZINC001134229447 814365234 /nfs/dbraw/zinc/36/52/34/814365234.db2.gz SZXPQMDKLHXYPV-NWDGAFQWSA-N 1 0 297.399 -0.230 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001134262153 814366895 /nfs/dbraw/zinc/36/68/95/814366895.db2.gz WBOWRBREGPOFPJ-VXGBXAGGSA-N 1 0 293.371 -0.049 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C#CC1CC1 ZINC001134317986 814373348 /nfs/dbraw/zinc/37/33/48/814373348.db2.gz PFLXBRQNIDPFKH-NXEZZACHSA-N 1 0 251.330 -0.242 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134351891 814374805 /nfs/dbraw/zinc/37/48/05/814374805.db2.gz LTXYVGONYAVCSZ-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C)[nH]c1=O ZINC001134364984 814376562 /nfs/dbraw/zinc/37/65/62/814376562.db2.gz BCVUQVLWEMTWAM-UHFFFAOYSA-N 1 0 292.339 -0.283 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380633 814378089 /nfs/dbraw/zinc/37/80/89/814378089.db2.gz VLXMZFZNEKROPF-VHSXEESVSA-N 1 0 252.322 -0.268 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134383703 814378294 /nfs/dbraw/zinc/37/82/94/814378294.db2.gz GWGGTNNPYQRTGE-WDEREUQCSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134385096 814378885 /nfs/dbraw/zinc/37/88/85/814378885.db2.gz XRFGAEDTYGCSFQ-NEPJUHHUSA-N 1 0 296.375 -0.251 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398420 814380968 /nfs/dbraw/zinc/38/09/68/814380968.db2.gz AUCCDXAYTKVJCP-VHSXEESVSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456555 814386991 /nfs/dbraw/zinc/38/69/91/814386991.db2.gz ZTJHPBALOMPHKH-VIFPVBQESA-N 1 0 268.317 -0.744 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC)nc1C ZINC001134510672 814389742 /nfs/dbraw/zinc/38/97/42/814389742.db2.gz LUPYDENIVOHZQG-UHFFFAOYSA-N 1 0 291.355 -0.720 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(=O)COC ZINC001134521009 814391595 /nfs/dbraw/zinc/39/15/95/814391595.db2.gz VCWMKKRDFLXHEN-VXGBXAGGSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCNC(=O)COC ZINC001134521006 814392980 /nfs/dbraw/zinc/39/29/80/814392980.db2.gz VCWMKKRDFLXHEN-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO CCCn1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001134529343 814393256 /nfs/dbraw/zinc/39/32/56/814393256.db2.gz PONLILANORDOSP-UHFFFAOYSA-N 1 0 292.343 -0.748 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1nccc1C ZINC001134523248 814393332 /nfs/dbraw/zinc/39/33/32/814393332.db2.gz DCHFGZNCJTWUPY-GFCCVEGCSA-N 1 0 291.355 -0.965 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134524491 814394292 /nfs/dbraw/zinc/39/42/92/814394292.db2.gz NEDFOTDXYOHLKF-VHSXEESVSA-N 1 0 254.334 -0.579 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001134601243 814397260 /nfs/dbraw/zinc/39/72/60/814397260.db2.gz CRWYPKVNYSVHOX-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001134612620 814400226 /nfs/dbraw/zinc/40/02/26/814400226.db2.gz ARJDXVVTDSAYES-QWRGUYRKSA-N 1 0 251.330 -0.383 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)COC[C@H]1CCOC1 ZINC001134655583 814404986 /nfs/dbraw/zinc/40/49/86/814404986.db2.gz IMOQSFVNXXTGKZ-LBPRGKRZSA-N 1 0 254.330 -0.231 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C(C)C ZINC001134656021 814405052 /nfs/dbraw/zinc/40/50/52/814405052.db2.gz SGKPORWMFRUAHC-NSHDSACASA-N 1 0 298.387 -0.004 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714581 814407613 /nfs/dbraw/zinc/40/76/13/814407613.db2.gz YDAHSFLWDTVCHR-UHFFFAOYSA-N 1 0 296.327 -0.921 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001134741382 814409953 /nfs/dbraw/zinc/40/99/53/814409953.db2.gz MZRQDKOGXWCMLG-VXGBXAGGSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134786652 814412623 /nfs/dbraw/zinc/41/26/23/814412623.db2.gz DWVMVHGBCUSROY-QWRGUYRKSA-N 1 0 279.344 -0.912 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787653 814412896 /nfs/dbraw/zinc/41/28/96/814412896.db2.gz NQGJKDMLVWPDOO-MNOVXSKESA-N 1 0 281.360 -0.359 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134830153 814415991 /nfs/dbraw/zinc/41/59/91/814415991.db2.gz YAOBJBGIOYWFAQ-PWSUYJOCSA-N 1 0 298.387 -0.573 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(=O)N1CCC(C)CC1 ZINC001134872149 814420124 /nfs/dbraw/zinc/42/01/24/814420124.db2.gz ZTBYCIYVXBNVNY-UHFFFAOYSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CC[NH2+]CCNC(=O)Cn1nnnc1C(C)C ZINC001135004398 814430036 /nfs/dbraw/zinc/43/00/36/814430036.db2.gz KBRZILJGURCYBD-UHFFFAOYSA-N 1 0 250.306 -0.865 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)cn1 ZINC001135043772 814431026 /nfs/dbraw/zinc/43/10/26/814431026.db2.gz LKEVHMQKGLZANC-GHMZBOCLSA-N 1 0 276.340 -0.100 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135051779 814431494 /nfs/dbraw/zinc/43/14/94/814431494.db2.gz AWRNLBNVHBKQAH-UHFFFAOYSA-N 1 0 265.317 -0.660 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+]C[C@H](O)COC)nn1 ZINC001135075597 814435827 /nfs/dbraw/zinc/43/58/27/814435827.db2.gz RCKJLOGGZOBWNF-NSHDSACASA-N 1 0 297.359 -0.819 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnco1 ZINC001135116324 814438843 /nfs/dbraw/zinc/43/88/43/814438843.db2.gz SSJPUIMQHQXNTN-GHMZBOCLSA-N 1 0 292.339 -0.090 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135147610 814441056 /nfs/dbraw/zinc/44/10/56/814441056.db2.gz OHLUHAQFNDGMPT-AVGNSLFASA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001135158960 814441252 /nfs/dbraw/zinc/44/12/52/814441252.db2.gz LVTJGWJTEFUWKL-NSHDSACASA-N 1 0 260.359 -0.155 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214048 814447216 /nfs/dbraw/zinc/44/72/16/814447216.db2.gz FMZKEVWUPMHNMH-IUCAKERBSA-N 1 0 250.306 -0.670 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219660 814447996 /nfs/dbraw/zinc/44/79/96/814447996.db2.gz SAWSYDLDQJPGET-LLVKDONJSA-N 1 0 267.329 -0.989 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135220584 814448940 /nfs/dbraw/zinc/44/89/40/814448940.db2.gz ZHYQYZWOJCZMDT-NSHDSACASA-N 1 0 269.345 -0.437 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135232263 814450635 /nfs/dbraw/zinc/45/06/35/814450635.db2.gz VUJGBSPAXCZFAW-QWRGUYRKSA-N 1 0 296.371 -0.948 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C1(C)CCOCC1 ZINC001135356879 814470280 /nfs/dbraw/zinc/47/02/80/814470280.db2.gz LPTNLMDSPNGITQ-UHFFFAOYSA-N 1 0 283.372 -0.189 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135444026 814475996 /nfs/dbraw/zinc/47/59/96/814475996.db2.gz KGLZBTONCZZSRV-SNVBAGLBSA-N 1 0 282.344 -0.401 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1ccc(=O)n(CC)n1 ZINC001135482771 814477390 /nfs/dbraw/zinc/47/73/90/814477390.db2.gz JVCMTXGRBXKMKI-UHFFFAOYSA-N 1 0 262.313 -0.394 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1ccc(=O)n(CC)n1 ZINC001135482639 814477612 /nfs/dbraw/zinc/47/76/12/814477612.db2.gz HJAKMNGDAJJHHC-UHFFFAOYSA-N 1 0 262.313 -0.394 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1ccc(=O)n(CC)n1 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C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001159653738 815583307 /nfs/dbraw/zinc/58/33/07/815583307.db2.gz VHTGVFAWNMTDSC-SWLSCSKDSA-N 1 0 294.399 -0.168 20 30 CBEDRO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159676626 815585710 /nfs/dbraw/zinc/58/57/10/815585710.db2.gz IDDIIEJSWPAMHF-APPZFPTMSA-N 1 0 263.257 -0.146 20 30 CBEDRO N#Cc1nc(Cl)c(N[C@@H]2C[NH2+]C[C@@H]2CO)nc1C#N ZINC001159675095 815586036 /nfs/dbraw/zinc/58/60/36/815586036.db2.gz BVNYQQGWVNKLAY-HZGVNTEJSA-N 1 0 278.703 -0.134 20 30 CBEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O ZINC001143039391 814752523 /nfs/dbraw/zinc/75/25/23/814752523.db2.gz CMKRMFJQMXVTDK-MJBXVCDLSA-N 1 0 295.383 -0.265 20 30 CBEDRO COC[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159676701 815587070 /nfs/dbraw/zinc/58/70/70/815587070.db2.gz XDGVKUMAPVBFKP-NWDGAFQWSA-N 1 0 298.387 -0.359 20 30 CBEDRO Cn1cc(NC(=O)CCN2CC[NH+](C)CC2)c(C#N)n1 ZINC001143224763 814762860 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CN(CC(=O)N=C(NC#N)c1ccncc1)C(N)=[NH2+] ZINC001144142592 814773558 /nfs/dbraw/zinc/77/35/58/814773558.db2.gz JXMOKYIACOXHDP-UHFFFAOYSA-N 1 0 259.273 -0.749 20 30 CBEDRO CN(CC(=O)Nc1cc(C#N)c(C#N)cc1N)C(N)=[NH2+] ZINC001144140800 814773564 /nfs/dbraw/zinc/77/35/64/814773564.db2.gz IJIKZCRXDKAYPD-UHFFFAOYSA-N 1 0 271.284 -0.224 20 30 CBEDRO COc1cccc(C[C@H]([NH3+])C(=O)N2CCNC[C@H]2C#N)c1 ZINC001144932731 814778905 /nfs/dbraw/zinc/77/89/05/814778905.db2.gz DRYGCMZGUUZRDK-OCCSQVGLSA-N 1 0 288.351 -0.111 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001146194143 814779582 /nfs/dbraw/zinc/77/95/82/814779582.db2.gz UDIAAIDAGMJEGH-ZJUUUORDSA-N 1 0 289.339 -0.305 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)CCOC ZINC001146222766 814779621 /nfs/dbraw/zinc/77/96/21/814779621.db2.gz OKGMQYWNERQDLR-UHFFFAOYSA-N 1 0 283.372 -0.496 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCNC(N)=O ZINC001146216273 814779624 /nfs/dbraw/zinc/77/96/24/814779624.db2.gz KDIBOENDCLYRMD-NXEZZACHSA-N 1 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C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001318541991 817121129 /nfs/dbraw/zinc/12/11/29/817121129.db2.gz QIYRTIXTBGYSRU-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)c1cc(=O)n(C)cn1 ZINC001318538529 817121214 /nfs/dbraw/zinc/12/12/14/817121214.db2.gz UTUMEYSFHBBPMG-NSHDSACASA-N 1 0 276.340 -0.098 20 30 CBEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001318539646 817121403 /nfs/dbraw/zinc/12/14/03/817121403.db2.gz GYJRGQJDCVAKDI-QWRGUYRKSA-N 1 0 274.386 -0.073 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001318603308 817126115 /nfs/dbraw/zinc/12/61/15/817126115.db2.gz XMQMANKSXWSLMA-LBPRGKRZSA-N 1 0 295.387 -0.049 20 30 CBEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001318608942 817127104 /nfs/dbraw/zinc/12/71/04/817127104.db2.gz ZWVRVCFKJPBEIJ-SNVBAGLBSA-N 1 0 294.359 -0.563 20 30 CBEDRO C#CCC[NH2+]CC1(NC(=O)c2nnn(C)n2)CCCC1 ZINC001318644866 817130218 /nfs/dbraw/zinc/13/02/18/817130218.db2.gz NCBXJSGDZOSCLD-UHFFFAOYSA-N 1 0 276.344 -0.134 20 30 CBEDRO C#CCC[NH2+]CC1(NC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001318652458 817130903 /nfs/dbraw/zinc/13/09/03/817130903.db2.gz KGYAQVHVABJACY-NSHDSACASA-N 1 0 278.356 -0.290 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC(=O)N2)CCCC1 ZINC001318665629 817133048 /nfs/dbraw/zinc/13/30/48/817133048.db2.gz VRAMVECNHPKILQ-NSHDSACASA-N 1 0 263.341 -0.083 20 30 CBEDRO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+](C)C ZINC001319036281 817160289 /nfs/dbraw/zinc/16/02/89/817160289.db2.gz BUCLJWHFPSIDLE-JTQLQIEISA-N 1 0 292.343 -0.198 20 30 CBEDRO C=CCCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(=O)NC ZINC001319058839 817162003 /nfs/dbraw/zinc/16/20/03/817162003.db2.gz WAGWRUUAVHGULY-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001319056368 817162065 /nfs/dbraw/zinc/16/20/65/817162065.db2.gz AXNQDUMBYGGFGK-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO C[C@H](CNC(=O)C1CCOCC1)C[NH2+]CC(=O)NCC#N ZINC001319150100 817169584 /nfs/dbraw/zinc/16/95/84/817169584.db2.gz PWCCTGMQJOVMIZ-NSHDSACASA-N 1 0 296.371 -0.605 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(C)on1 ZINC001319154257 817171081 /nfs/dbraw/zinc/17/10/81/817171081.db2.gz KPXMDCJJWDFCOE-JTQLQIEISA-N 1 0 292.339 -0.312 20 30 CBEDRO C=CCCC(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001319166650 817172194 /nfs/dbraw/zinc/17/21/94/817172194.db2.gz FHKGYBWBPBLHGL-SNVBAGLBSA-N 1 0 281.360 -0.084 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001319180660 817173718 /nfs/dbraw/zinc/17/37/18/817173718.db2.gz XXJHKKIEQIFWCA-NWDGAFQWSA-N 1 0 265.357 -0.122 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001319186039 817174429 /nfs/dbraw/zinc/17/44/29/817174429.db2.gz PBHVAZNHBNRIPT-ZJUUUORDSA-N 1 0 256.350 -0.039 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001319197860 817176131 /nfs/dbraw/zinc/17/61/31/817176131.db2.gz XFWGOVLVZFLCKH-QWRGUYRKSA-N 1 0 251.330 -0.560 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001319223271 817178037 /nfs/dbraw/zinc/17/80/37/817178037.db2.gz WNTZLZICFGUMMT-GHMZBOCLSA-N 1 0 289.401 -0.581 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cnco1 ZINC001319223412 817178095 /nfs/dbraw/zinc/17/80/95/817178095.db2.gz ZEXWTEYKPSGDRA-QWRGUYRKSA-N 1 0 292.339 -0.232 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cnco1 ZINC001319223411 817178411 /nfs/dbraw/zinc/17/84/11/817178411.db2.gz ZEXWTEYKPSGDRA-MNOVXSKESA-N 1 0 292.339 -0.232 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001319225435 817178710 /nfs/dbraw/zinc/17/87/10/817178710.db2.gz PVHCKYYNIPSHIW-MNOVXSKESA-N 1 0 266.345 -0.625 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001319223274 817178760 /nfs/dbraw/zinc/17/87/60/817178760.db2.gz WNTZLZICFGUMMT-WDEREUQCSA-N 1 0 289.401 -0.581 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001319223293 817178774 /nfs/dbraw/zinc/17/87/74/817178774.db2.gz WVJDMNHSEXTRRC-JQWIXIFHSA-N 1 0 289.339 -0.659 20 30 CBEDRO Cc1nocc1C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319238860 817179406 /nfs/dbraw/zinc/17/94/06/817179406.db2.gz XIHYWRZTCFODHK-SECBINFHSA-N 1 0 293.327 -0.422 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001319234599 817179792 /nfs/dbraw/zinc/17/97/92/817179792.db2.gz XIMBNBBEYPIDAL-SNVBAGLBSA-N 1 0 262.313 -0.251 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001319257931 817182512 /nfs/dbraw/zinc/18/25/12/817182512.db2.gz NYLKOBFAYUKETI-GFCCVEGCSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)COCC ZINC001319417787 817200207 /nfs/dbraw/zinc/20/02/07/817200207.db2.gz HIDPCGALYOKIGA-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1CCOCC1 ZINC001319419179 817200321 /nfs/dbraw/zinc/20/03/21/817200321.db2.gz ZEOJZMMUYGZJIF-NSHDSACASA-N 1 0 296.371 -0.511 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccn1C ZINC001319421903 817201911 /nfs/dbraw/zinc/20/19/11/817201911.db2.gz CKAVTWJHURAOTL-LBPRGKRZSA-N 1 0 290.367 -0.175 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CSCC#N ZINC001319423080 817202550 /nfs/dbraw/zinc/20/25/50/817202550.db2.gz IYSPQPLRWZNPKR-QWRGUYRKSA-N 1 0 298.412 -0.042 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H](C)C#N ZINC001319436972 817203265 /nfs/dbraw/zinc/20/32/65/817203265.db2.gz NZZAAIXJKSOZRE-VHSXEESVSA-N 1 0 266.345 -0.139 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)OC ZINC001319430381 817203408 /nfs/dbraw/zinc/20/34/08/817203408.db2.gz NCMGBBJCOVHCMB-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001319436977 817203922 /nfs/dbraw/zinc/20/39/22/817203922.db2.gz NZZAAIXJKSOZRE-ZJUUUORDSA-N 1 0 266.345 -0.139 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)C(=O)NCC(F)F ZINC001319486359 817210835 /nfs/dbraw/zinc/21/08/35/817210835.db2.gz OAANGVWSUJNLMY-VIFPVBQESA-N 1 0 275.299 -0.173 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001319534759 817216138 /nfs/dbraw/zinc/21/61/38/817216138.db2.gz STFTWGBMWPHRRE-RYUDHWBXSA-N 1 0 290.371 -0.305 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCn1cnccc1=O ZINC001319551075 817218158 /nfs/dbraw/zinc/21/81/58/817218158.db2.gz KOOPFBBSYINUSY-GFCCVEGCSA-N 1 0 276.340 -0.297 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1oncc1C ZINC001319557446 817219671 /nfs/dbraw/zinc/21/96/71/817219671.db2.gz IRSFZQDIFYAKOY-LLVKDONJSA-N 1 0 292.339 -0.217 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001319560730 817220260 /nfs/dbraw/zinc/22/02/60/817220260.db2.gz OCPDDLVUJCRCBI-JTQLQIEISA-N 1 0 282.344 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001319575664 817221146 /nfs/dbraw/zinc/22/11/46/817221146.db2.gz ZCHDZZNCYSQQGH-VIFPVBQESA-N 1 0 278.312 -0.831 20 30 CBEDRO O=C(CCNC(=O)C1N=CC=CC1=O)NCC[NH+]1CCC1 ZINC001319642842 817229246 /nfs/dbraw/zinc/22/92/46/817229246.db2.gz MKEVUQZIAFMAGT-YPKPFQOOSA-N 1 0 292.339 -0.275 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001319675920 817232038 /nfs/dbraw/zinc/23/20/38/817232038.db2.gz QZWXAQBQAQFMEA-MNOVXSKESA-N 1 0 267.329 -0.198 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@@H]1C ZINC001319671655 817232080 /nfs/dbraw/zinc/23/20/80/817232080.db2.gz CORBCOLGDSLORT-AAEUAGOBSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCc2ncn(C)n2)CC1 ZINC001319694882 817234389 /nfs/dbraw/zinc/23/43/89/817234389.db2.gz YLJGAAQXQDMNTO-UHFFFAOYSA-N 1 0 261.329 -0.224 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O ZINC001319753057 817239768 /nfs/dbraw/zinc/23/97/68/817239768.db2.gz XSOSDFDNHFUTRG-OLZOCXBDSA-N 1 0 295.383 -0.129 20 30 CBEDRO C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001319773415 817242133 /nfs/dbraw/zinc/24/21/33/817242133.db2.gz BILRXUWDFNUJTJ-NSHDSACASA-N 1 0 251.330 -0.144 20 30 CBEDRO CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001319790554 817243277 /nfs/dbraw/zinc/24/32/77/817243277.db2.gz KHFXMVDJXVYBOC-PWSUYJOCSA-N 1 0 266.345 -0.137 20 30 CBEDRO C[C@H]1CCCN(C(=O)CSCC#N)[C@@H]1C[NH2+]CC(N)=O ZINC001319839139 817247651 /nfs/dbraw/zinc/24/76/51/817247651.db2.gz UMCAFFJGGXTKNS-WDEREUQCSA-N 1 0 298.412 -0.055 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C(N)=O ZINC001319860409 817248914 /nfs/dbraw/zinc/24/89/14/817248914.db2.gz GHMCWOXZHXDMJX-VXGBXAGGSA-N 1 0 283.372 -0.109 20 30 CBEDRO COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001319936674 817257177 /nfs/dbraw/zinc/25/71/77/817257177.db2.gz QVMWTMHLIKMLKI-STQMWFEESA-N 1 0 295.383 -0.497 20 30 CBEDRO C=C(C)C[NH2+][C@H](CNC(=O)CN1C(=O)CNC1=O)C(C)C ZINC001319956286 817259711 /nfs/dbraw/zinc/25/97/11/817259711.db2.gz CESABYRVUPTIJI-LLVKDONJSA-N 1 0 296.371 -0.155 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CN(C)C(C)=O ZINC001319976850 817263227 /nfs/dbraw/zinc/26/32/27/817263227.db2.gz 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298.387 -0.701 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001168503241 820164040 /nfs/dbraw/zinc/16/40/40/820164040.db2.gz HPCWTQDQQCVJEK-GFCCVEGCSA-N 1 0 298.387 -0.571 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCCNC(=O)c2nnc[nH]2)C1=O ZINC001168739081 820171252 /nfs/dbraw/zinc/17/12/52/820171252.db2.gz LNXDABZFXXHSBT-JTQLQIEISA-N 1 0 292.343 -0.699 20 30 CBEDRO CCOC(=O)c1cnc(-n2nnnc2C[NH3+])c(C#N)c1 ZINC001168920724 820192337 /nfs/dbraw/zinc/19/23/37/820192337.db2.gz WSYGTMBUCGTYKS-UHFFFAOYSA-N 1 0 273.256 -0.436 20 30 CBEDRO CCOCC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N ZINC001168933161 820194982 /nfs/dbraw/zinc/19/49/82/820194982.db2.gz VTZLHDUOYRGJOR-LBPRGKRZSA-N 1 0 298.387 -0.073 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1ncc[nH]1 ZINC001169199208 820213054 /nfs/dbraw/zinc/21/30/54/820213054.db2.gz GZJMNBXKFOVIPJ-UHFFFAOYSA-N 1 0 279.344 -0.650 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)Cc1ncc[nH]1 ZINC001169204858 820213986 /nfs/dbraw/zinc/21/39/86/820213986.db2.gz 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N#C[C@@H](Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(N)=O ZINC001170535778 820300804 /nfs/dbraw/zinc/30/08/04/820300804.db2.gz JHYYGCXWGFYMSI-VXGBXAGGSA-N 1 0 299.334 -0.373 20 30 CBEDRO N#C[C@@H](Nc1ccc2c(c1)COC21C[NH2+]C1)C(N)=O ZINC001170538162 820302601 /nfs/dbraw/zinc/30/26/01/820302601.db2.gz YJXVEDUTTYXURM-LLVKDONJSA-N 1 0 258.281 -0.195 20 30 CBEDRO COCC[N@H+](C)Cc1ccnc(N[C@H](C#N)C(N)=O)c1 ZINC001170538585 820302877 /nfs/dbraw/zinc/30/28/77/820302877.db2.gz JKIVMSRJSFHKGU-LLVKDONJSA-N 1 0 277.328 -0.051 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001170742245 820314401 /nfs/dbraw/zinc/31/44/01/820314401.db2.gz KFSRFWNAEJMPQW-NEPJUHHUSA-N 1 0 283.372 -0.225 20 30 CBEDRO N#Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc2nc[nH]c21 ZINC001170771344 820314949 /nfs/dbraw/zinc/31/49/49/820314949.db2.gz CCSJKXGIIIJDKH-GMSGAONNSA-N 1 0 258.285 -0.178 20 30 CBEDRO N#Cc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)cc2nc[nH]c21 ZINC001170771345 820314973 /nfs/dbraw/zinc/31/49/73/820314973.db2.gz CCSJKXGIIIJDKH-OIBJUYFYSA-N 1 0 258.285 -0.178 20 30 CBEDRO N#Cc1cc(Cl)nc(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170772249 820316793 /nfs/dbraw/zinc/31/67/93/820316793.db2.gz HGEUBWXWYAEYME-SVRRBLITSA-N 1 0 253.693 -0.006 20 30 CBEDRO Cc1nc(C#N)c(C#N)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170779380 820320186 /nfs/dbraw/zinc/32/01/86/820320186.db2.gz PXZWJTQHJQRQQQ-KWQFWETISA-N 1 0 258.285 -0.479 20 30 CBEDRO Cc1nc(C#N)c(C#N)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170779381 820321440 /nfs/dbraw/zinc/32/14/40/820321440.db2.gz PXZWJTQHJQRQQQ-LDYMZIIASA-N 1 0 258.285 -0.479 20 30 CBEDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nnccc1C#N ZINC001170870971 820330588 /nfs/dbraw/zinc/33/05/88/820330588.db2.gz VOONYADPMPBNSZ-NXEZZACHSA-N 1 0 261.285 -0.089 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001170982822 820342016 /nfs/dbraw/zinc/34/20/16/820342016.db2.gz UXPVCHOJCOSXPM-LLVKDONJSA-N 1 0 286.397 -0.071 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001170994377 820342855 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C#Cc1ccc(C(=O)NCCC[NH2+][C@H](C)C(N)=O)nc1 ZINC001171585510 820362035 /nfs/dbraw/zinc/36/20/35/820362035.db2.gz XTGZVRBTKZQJSU-SNVBAGLBSA-N 1 0 274.324 -0.354 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)nc1 ZINC001171584951 820363013 /nfs/dbraw/zinc/36/30/13/820363013.db2.gz CUQPATJYMJWINN-CYBMUJFWSA-N 1 0 286.335 -0.339 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(N)=O)cn1 ZINC001171595132 820363298 /nfs/dbraw/zinc/36/32/98/820363298.db2.gz VAHQCLTUIDBZFT-UHFFFAOYSA-N 1 0 260.297 -0.742 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)cn1 ZINC001171595167 820364435 /nfs/dbraw/zinc/36/44/35/820364435.db2.gz WCGACKYKUCEYJJ-NSHDSACASA-N 1 0 288.351 -0.093 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)NCC)cn1 ZINC001171595156 820364559 /nfs/dbraw/zinc/36/45/59/820364559.db2.gz VVHBUAMUWDNKSZ-UHFFFAOYSA-N 1 0 288.351 -0.092 20 30 CBEDRO CC(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171792917 820372994 /nfs/dbraw/zinc/37/29/94/820372994.db2.gz NHKCGSKSDHJTTI-UHFFFAOYSA-N 1 0 254.334 -0.232 20 30 CBEDRO C[C@@H]1CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H]1C ZINC001172358504 820395094 /nfs/dbraw/zinc/39/50/94/820395094.db2.gz IIIIBPOYDLFPBW-YJIVIRPOSA-N 1 0 289.372 -0.957 20 30 CBEDRO CC1(C#N)CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001173591054 820407482 /nfs/dbraw/zinc/40/74/82/820407482.db2.gz IDRKPAGGXQRDLA-XEVUQIKYSA-N 1 0 252.318 -0.222 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CNS(=O)(=O)CCCC ZINC001174722859 820415090 /nfs/dbraw/zinc/41/50/90/820415090.db2.gz WSIHVVZBQLKFOF-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175033312 820422303 /nfs/dbraw/zinc/42/23/03/820422303.db2.gz MLCFIURMWKBZMM-WDEREUQCSA-N 1 0 298.387 -0.573 20 30 CBEDRO C=CCCC[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175556737 820428672 /nfs/dbraw/zinc/42/86/72/820428672.db2.gz HSXXKVZEIUYNBI-UHFFFAOYSA-N 1 0 296.371 -0.058 20 30 CBEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001175747166 820432333 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C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001177277452 820503545 /nfs/dbraw/zinc/50/35/45/820503545.db2.gz SDTRJAYINGEBEN-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177385981 820508552 /nfs/dbraw/zinc/50/85/52/820508552.db2.gz ATOJTFZQANRHDW-UHFFFAOYSA-N 1 0 284.360 -0.960 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001177455239 820521937 /nfs/dbraw/zinc/52/19/37/820521937.db2.gz SQODKHPYCNJDJF-ZDUSSCGKSA-N 1 0 295.383 -0.209 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177514299 820524965 /nfs/dbraw/zinc/52/49/65/820524965.db2.gz VUNWMYBUAUGABB-UHFFFAOYSA-N 1 0 293.371 -0.507 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001177600468 820527121 /nfs/dbraw/zinc/52/71/21/820527121.db2.gz CQSFPYRNNIZUSX-SNVBAGLBSA-N 1 0 267.329 -0.289 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177628753 820529273 /nfs/dbraw/zinc/52/92/73/820529273.db2.gz DJSADYAOCSFMNJ-UHFFFAOYSA-N 1 0 274.324 -0.087 20 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CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(=O)NCC)[C@H]1C ZINC001178519849 820586027 /nfs/dbraw/zinc/58/60/27/820586027.db2.gz NALXTKBSDJLPIY-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)[C@H]1C ZINC001178612028 820591694 /nfs/dbraw/zinc/59/16/94/820591694.db2.gz XKAXGLJOLQAFKZ-SGMGOOAPSA-N 1 0 295.383 -0.668 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178595349 820591745 /nfs/dbraw/zinc/59/17/45/820591745.db2.gz UNWXUZIXFYBOOL-RYUDHWBXSA-N 1 0 291.355 -0.343 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001178678167 820593216 /nfs/dbraw/zinc/59/32/16/820593216.db2.gz APRFFVGFQZVPSL-AVGNSLFASA-N 1 0 295.383 -0.308 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178678424 820593759 /nfs/dbraw/zinc/59/37/59/820593759.db2.gz JFUGRGTUKBRXNL-XUXIUFHCSA-N 1 0 298.383 -0.389 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC(C)C)[C@H]1C ZINC001178648755 820593937 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CC[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179313763 820623655 /nfs/dbraw/zinc/62/36/55/820623655.db2.gz KCJOADFYHIXTLU-DCAQKATOSA-N 1 0 284.335 -0.047 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179328141 820625451 /nfs/dbraw/zinc/62/54/51/820625451.db2.gz YAUZSVBGZLLONW-AGIUHOORSA-N 1 0 295.383 -0.273 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001179421590 820627486 /nfs/dbraw/zinc/62/74/86/820627486.db2.gz XMNLXLZSKLEMCW-QWRGUYRKSA-N 1 0 274.324 -0.014 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001179573241 820633293 /nfs/dbraw/zinc/63/32/93/820633293.db2.gz PTMNQAIJUDCFGE-QWHCGFSZSA-N 1 0 295.383 -0.081 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)[C@H]1C ZINC001179612100 820636357 /nfs/dbraw/zinc/63/63/57/820636357.db2.gz BKZRAIHPVUHXFO-VWYCJHECSA-N 1 0 287.385 -0.864 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC001179710735 820638598 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292.339 -0.145 20 30 CBEDRO C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O)nn1 ZINC001282199231 828438910 /nfs/dbraw/zinc/43/89/10/828438910.db2.gz ACALTVRFCZERNW-RKDXNWHRSA-N 1 0 280.332 -0.954 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001282230542 828439512 /nfs/dbraw/zinc/43/95/12/828439512.db2.gz QQROMCPJQSBDHK-BDAKNGLRSA-N 1 0 263.363 -0.796 20 30 CBEDRO CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001282343495 828441275 /nfs/dbraw/zinc/44/12/75/828441275.db2.gz HDSJXLGLUUJNTG-WDEREUQCSA-N 1 0 253.346 -0.029 20 30 CBEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001282356024 828442761 /nfs/dbraw/zinc/44/27/61/828442761.db2.gz RQTWQHLJJBWSGH-JTQLQIEISA-N 1 0 252.322 -0.314 20 30 CBEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001282366409 828443030 /nfs/dbraw/zinc/44/30/30/828443030.db2.gz JYEDRBJAPKUESJ-VXGBXAGGSA-N 1 0 255.362 -0.061 20 30 CBEDRO C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CCNC(=O)NC ZINC001282385673 828443409 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C[NH+](C)CCCCC(=O)NC1(CCO)CN(CC#N)C1 ZINC001282540249 828452396 /nfs/dbraw/zinc/45/23/96/828452396.db2.gz YWQGLPRGHKYYSR-UHFFFAOYSA-N 1 0 282.388 -0.205 20 30 CBEDRO C#CCN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001282545899 828452399 /nfs/dbraw/zinc/45/23/99/828452399.db2.gz WDZQTBDKOZTMNN-LBPRGKRZSA-N 1 0 265.357 -0.876 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)Cn2cnnn2)CCCCC1 ZINC001282600658 828453627 /nfs/dbraw/zinc/45/36/27/828453627.db2.gz XHFYXTHGYVJURK-UHFFFAOYSA-N 1 0 276.344 -0.285 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC)[C@@H]2C1 ZINC001282843037 828457232 /nfs/dbraw/zinc/45/72/32/828457232.db2.gz FJNOCWZULHMUFE-LPWJVIDDSA-N 1 0 295.383 -0.383 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001282849694 828458255 /nfs/dbraw/zinc/45/82/55/828458255.db2.gz PRJBQXMXSPXYPY-FMSGJZPZSA-N 1 0 268.357 -0.400 20 30 CBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001282858720 828458494 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C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC)C1 ZINC001188755935 823715544 /nfs/dbraw/zinc/71/55/44/823715544.db2.gz DGCGRSCQGNLNTM-QWHCGFSZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001283154960 828500751 /nfs/dbraw/zinc/50/07/51/828500751.db2.gz FVASLQUCYDRENT-WDEREUQCSA-N 1 0 266.345 -0.137 20 30 CBEDRO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H](C)C#N)[NH+](C)C ZINC001283133700 828498319 /nfs/dbraw/zinc/49/83/19/828498319.db2.gz SENLNFNDSOHYEZ-QWRGUYRKSA-N 1 0 268.361 -0.035 20 30 CBEDRO C#CCC[NH2+]CCC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001283133794 828498497 /nfs/dbraw/zinc/49/84/97/828498497.db2.gz FJBFCVHHIRBTAA-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CCC[NH2+]CCC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001283133790 828498621 /nfs/dbraw/zinc/49/86/21/828498621.db2.gz FJBFCVHHIRBTAA-LLVKDONJSA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001283228578 828509726 /nfs/dbraw/zinc/50/97/26/828509726.db2.gz GMPZFAVFHGBFBG-JTQLQIEISA-N 1 0 251.330 -0.240 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001283228580 828509948 /nfs/dbraw/zinc/50/99/48/828509948.db2.gz GMPZFAVFHGBFBG-SNVBAGLBSA-N 1 0 251.330 -0.240 20 30 CBEDRO C=CC[N@H+](C)CCOCCNC(=O)C1CS(=O)(=O)C1 ZINC001283377839 828517712 /nfs/dbraw/zinc/51/77/12/828517712.db2.gz PFBQBBVSOWEOHG-UHFFFAOYSA-N 1 0 290.385 -0.718 20 30 CBEDRO C[C@H](CN(C)C(=O)CSCC#N)[NH2+][C@H]1CCNC1=O ZINC001283573780 828527356 /nfs/dbraw/zinc/52/73/56/828527356.db2.gz XESZPWXDQZUGAD-ZJUUUORDSA-N 1 0 284.385 -0.432 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001283584117 828527367 /nfs/dbraw/zinc/52/73/67/828527367.db2.gz ZNBASKTYZUZQSI-MNOVXSKESA-N 1 0 266.345 -0.185 20 30 CBEDRO CC(C)[C@@H](CCNC(=O)[C@@H](C)C#N)[NH2+]CC(N)=O ZINC001283442806 828519759 /nfs/dbraw/zinc/51/97/59/828519759.db2.gz USISGRDRYWBWGS-VHSXEESVSA-N 1 0 254.334 -0.248 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CNC(=O)C1CC1 ZINC001283573521 828527516 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CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CSCC#N ZINC001283572279 828526053 /nfs/dbraw/zinc/52/60/53/828526053.db2.gz LEBZQGPNOOTCSS-UWVGGRQHSA-N 1 0 286.401 -0.186 20 30 CBEDRO C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001283572444 828526345 /nfs/dbraw/zinc/52/63/45/828526345.db2.gz PDYGKZBDUZHEEZ-NWDGAFQWSA-N 1 0 296.371 -0.368 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)COCC ZINC001283565798 828526621 /nfs/dbraw/zinc/52/66/21/828526621.db2.gz CGUSBCCUNAQCCZ-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CCCO1 ZINC001283571161 828526626 /nfs/dbraw/zinc/52/66/26/828526626.db2.gz LNIXBNKBZLNCEB-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ncc[nH]1 ZINC001283609157 828529165 /nfs/dbraw/zinc/52/91/65/828529165.db2.gz YQEYHOZRMAMIEC-MNOVXSKESA-N 1 0 291.355 -0.402 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001283612295 828529405 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C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001283676704 828532983 /nfs/dbraw/zinc/53/29/83/828532983.db2.gz DNJLPSIYJPNMME-CMPLNLGQSA-N 1 0 298.387 -0.621 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)cn1 ZINC001283705246 828534567 /nfs/dbraw/zinc/53/45/67/828534567.db2.gz RLHUTECXQXXFTR-SNVBAGLBSA-N 1 0 274.324 -0.402 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)S(=O)(=O)CC ZINC001283694525 828534667 /nfs/dbraw/zinc/53/46/67/828534667.db2.gz WPZSPTAEBDOITR-NSHDSACASA-N 1 0 291.417 -0.110 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CN(C)S(=O)(=O)CC ZINC001283694524 828534864 /nfs/dbraw/zinc/53/48/64/828534864.db2.gz WPZSPTAEBDOITR-LLVKDONJSA-N 1 0 291.417 -0.110 20 30 CBEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001283714000 828535293 /nfs/dbraw/zinc/53/52/93/828535293.db2.gz NBKNNQBPYPBNJB-NSHDSACASA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)/C(C)=C/CC ZINC001283735197 828539160 /nfs/dbraw/zinc/53/91/60/828539160.db2.gz RUVZFZSGHABZDG-IGEMTJHASA-N 1 0 281.356 -0.841 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1nonc1C ZINC001283724624 828536772 /nfs/dbraw/zinc/53/67/72/828536772.db2.gz QASPBDFSHDZJON-SECBINFHSA-N 1 0 293.327 -0.822 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cn1cc(C)cn1 ZINC001283732923 828537063 /nfs/dbraw/zinc/53/70/63/828537063.db2.gz CGJHGXRGKFWOTJ-NSHDSACASA-N 1 0 252.318 -0.556 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C=C1CCC1 ZINC001283742308 828539216 /nfs/dbraw/zinc/53/92/16/828539216.db2.gz GUSULWWACUPUQM-YPMHNXCESA-N 1 0 293.367 -0.699 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C=C(C)C ZINC001283734737 828537414 /nfs/dbraw/zinc/53/74/14/828537414.db2.gz XAZDVVWZLNILNY-RYUDHWBXSA-N 1 0 281.356 -0.843 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(C)c1C ZINC001283733949 828537450 /nfs/dbraw/zinc/53/74/50/828537450.db2.gz LGKBHZPSRZSSGG-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CCCCC1 ZINC001283733530 828537923 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ZINC001251906594 825807153 /nfs/dbraw/zinc/80/71/53/825807153.db2.gz HUGLYZIFAONXNC-LBPRGKRZSA-N 1 0 256.346 -0.957 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001251906876 825807663 /nfs/dbraw/zinc/80/76/63/825807663.db2.gz OOWJARIQOGMHDO-AXFHLTTASA-N 1 0 258.318 -0.493 20 30 CBEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001252057955 825818530 /nfs/dbraw/zinc/81/85/30/825818530.db2.gz RQDCGJQXWXYPIU-GXTWGEPZSA-N 1 0 268.357 -0.160 20 30 CBEDRO CS(=O)(=O)c1ccc(C(=[NH2+])NC[C@H](O)CO)cc1 ZINC001252073376 825829311 /nfs/dbraw/zinc/82/93/11/825829311.db2.gz IQIKEYUKIWRDEP-VIFPVBQESA-N 1 0 272.326 -0.851 20 30 CBEDRO COC(=O)[C@H](O)CNC(=[NH2+])c1ccc(Cl)cn1 ZINC001252441096 825859911 /nfs/dbraw/zinc/85/99/11/825859911.db2.gz XVQLTMXDMVASFU-MRVPVSSYSA-N 1 0 257.677 -0.026 20 30 CBEDRO C=CCOC[C@@H](O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC001252460112 825867808 /nfs/dbraw/zinc/86/78/08/825867808.db2.gz AYBPQFXYCCVAOD-STQMWFEESA-N 1 0 258.362 -0.188 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001252472462 825868270 /nfs/dbraw/zinc/86/82/70/825868270.db2.gz SXPYZTAASLOJPG-NEPJUHHUSA-N 1 0 273.329 -0.186 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001252472756 825869679 /nfs/dbraw/zinc/86/96/79/825869679.db2.gz YPPWVNFQVBANKF-NWDGAFQWSA-N 1 0 271.361 -0.057 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC001252465322 825870100 /nfs/dbraw/zinc/87/01/00/825870100.db2.gz DSENRZUXFPTZMK-ZDUSSCGKSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CC(=O)CCC(=O)OC ZINC001252486972 825870396 /nfs/dbraw/zinc/87/03/96/825870396.db2.gz KWDSGQLLGAODMU-LLVKDONJSA-N 1 0 259.302 -0.338 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]C1CCN(CC(=O)OC)CC1 ZINC001252483910 825870886 /nfs/dbraw/zinc/87/08/86/825870886.db2.gz XSSDMCOMQOKCIX-ZDUSSCGKSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]cn1 ZINC001252491112 825872557 /nfs/dbraw/zinc/87/25/57/825872557.db2.gz FUNRUZKOIMZGKM-ZDUSSCGKSA-N 1 0 296.371 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LVYIYZMOXCGCTI-ZETCQYMHSA-N 1 0 254.290 -0.182 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253707268 825927371 /nfs/dbraw/zinc/92/73/71/825927371.db2.gz XSCHUKGEMOKVFL-GFCCVEGCSA-N 1 0 287.356 -0.055 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC001253577543 825917475 /nfs/dbraw/zinc/91/74/75/825917475.db2.gz WNYKCYPIWGBTDL-RMRHIDDWSA-N 1 0 298.383 -0.130 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001253581398 825917509 /nfs/dbraw/zinc/91/75/09/825917509.db2.gz HNPCKQOTXNEIPO-UTUOFQBUSA-N 1 0 274.386 -0.111 20 30 CBEDRO C=C[C@@H](O)C[N@H+]1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1 ZINC001253588593 825918477 /nfs/dbraw/zinc/91/84/77/825918477.db2.gz YDLVHHABVVPFTD-CHWSQXEVSA-N 1 0 295.383 -0.598 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCCN1CCS(=O)(=O)CC1 ZINC001253609836 825918780 /nfs/dbraw/zinc/91/87/80/825918780.db2.gz ZDBIWKLTUIEHBJ-NSHDSACASA-N 1 0 262.375 -0.757 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCCCC1 ZINC001253597612 825919090 /nfs/dbraw/zinc/91/90/90/825919090.db2.gz GOPSFRMKEWQGIX-LLVKDONJSA-N 1 0 262.375 -0.061 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001253611329 825919585 /nfs/dbraw/zinc/91/95/85/825919585.db2.gz NVMCFUFHMHIAOS-OLZOCXBDSA-N 1 0 291.351 -0.664 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)OC ZINC001253612337 825919678 /nfs/dbraw/zinc/91/96/78/825919678.db2.gz YPYDJYQQHDMRCE-RYUDHWBXSA-N 1 0 272.345 -0.029 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001253605296 825919904 /nfs/dbraw/zinc/91/99/04/825919904.db2.gz QSHPPTKFQMIXCA-MNOVXSKESA-N 1 0 257.334 -0.717 20 30 CBEDRO C[C@@H]1CN(CC(=O)NCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001253838216 825934519 /nfs/dbraw/zinc/93/45/19/825934519.db2.gz BQPQMRVGODFZHY-ZIAGYGMSSA-N 1 0 293.415 -0.416 20 30 CBEDRO C#CC[S@@](=O)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC001254060431 825938659 /nfs/dbraw/zinc/93/86/59/825938659.db2.gz RSHSHUPESDJREN-BMLIUANNSA-N 1 0 252.343 -0.088 20 30 CBEDRO C#CCOCCOCCOCc1cn(CC[NH3+])nn1 ZINC001254157702 825945511 /nfs/dbraw/zinc/94/55/11/825945511.db2.gz RPQMBXGNJAFXPM-UHFFFAOYSA-N 1 0 268.317 -0.580 20 30 CBEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254318361 825949649 /nfs/dbraw/zinc/94/96/49/825949649.db2.gz YLKRKUZNSJFYFI-SNVBAGLBSA-N 1 0 260.359 -0.155 20 30 CBEDRO CCOC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254639569 825967397 /nfs/dbraw/zinc/96/73/97/825967397.db2.gz WHFSIGOORDVTQZ-NXEZZACHSA-N 1 0 253.302 -0.052 20 30 CBEDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1)C(N)=O ZINC001254653693 825968435 /nfs/dbraw/zinc/96/84/35/825968435.db2.gz PJZCELOFGDZEFU-QEYWKRMJSA-N 1 0 252.318 -0.353 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCc2nnn(C)n2)CC1 ZINC001256104627 826001805 /nfs/dbraw/zinc/00/18/05/826001805.db2.gz PTNHECKXUCISBI-UHFFFAOYSA-N 1 0 262.317 -0.829 20 30 CBEDRO CC(C)CC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001256354967 826018565 /nfs/dbraw/zinc/01/85/65/826018565.db2.gz 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/nfs/dbraw/zinc/25/87/23/827258723.db2.gz HLPZUANZGNIXQL-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cnnn1 ZINC001268181210 827259971 /nfs/dbraw/zinc/25/99/71/827259971.db2.gz QHRMTTVLGFAVPW-NWDGAFQWSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1ncnn1 ZINC001268183393 827260651 /nfs/dbraw/zinc/26/06/51/827260651.db2.gz FEJTWSFBVUPFMV-NEPJUHHUSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC(C)[C@H](CNC(=O)[C@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001268204277 827261285 /nfs/dbraw/zinc/26/12/85/827261285.db2.gz UZOXYLABYCHTCN-NWDGAFQWSA-N 1 0 296.371 -0.464 20 30 CBEDRO COCC#CC[NH2+][C@H](CNC(=O)Cn1cncn1)C(C)C ZINC001268227072 827263232 /nfs/dbraw/zinc/26/32/32/827263232.db2.gz PTCOIBFYLHWYTJ-CYBMUJFWSA-N 1 0 293.371 -0.342 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCNC1=O ZINC001268241572 827267945 /nfs/dbraw/zinc/26/79/45/827267945.db2.gz SVUSYBMLPNGLKR-NSHDSACASA-N 1 0 251.330 -0.464 20 30 CBEDRO CN(CC#N)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001268253489 827271439 /nfs/dbraw/zinc/27/14/39/827271439.db2.gz SSPDDXBVZIHECQ-UHFFFAOYSA-N 1 0 292.387 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001268286299 827277938 /nfs/dbraw/zinc/27/79/38/827277938.db2.gz HSRSVQWNSUBZKH-PWSUYJOCSA-N 1 0 291.351 -0.453 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1nnc[nH]1 ZINC001268284491 827278304 /nfs/dbraw/zinc/27/83/04/827278304.db2.gz ASVSIZWBQLZNQN-NWDGAFQWSA-N 1 0 291.355 -0.057 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001268286300 827278411 /nfs/dbraw/zinc/27/84/11/827278411.db2.gz HSRSVQWNSUBZKH-ZYHUDNBSSA-N 1 0 291.351 -0.453 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)n[nH]1 ZINC001268295920 827280217 /nfs/dbraw/zinc/28/02/17/827280217.db2.gz AXCCUVABACYGBA-NSHDSACASA-N 1 0 264.329 -0.324 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001268296722 827281243 /nfs/dbraw/zinc/28/12/43/827281243.db2.gz 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/nfs/dbraw/zinc/36/14/50/827361450.db2.gz VQHCBGDTYTZOEF-ARJAWSKDSA-N 1 0 258.343 -0.521 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CCNC1=O ZINC001268549577 827361927 /nfs/dbraw/zinc/36/19/27/827361927.db2.gz YYJUDOBFJNMGLG-ZRMMWKCHSA-N 1 0 293.367 -0.576 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@H](C)S(C)(=O)=O ZINC001268556215 827362893 /nfs/dbraw/zinc/36/28/93/827362893.db2.gz MZRGRQKCKPDXJR-MLRMMBSGSA-N 1 0 272.370 -0.295 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCN(C)C1=O ZINC001268579707 827368699 /nfs/dbraw/zinc/36/86/99/827368699.db2.gz GTELCUVTQLHHOA-FYJFLYSWSA-N 1 0 263.341 -0.250 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268580357 827372178 /nfs/dbraw/zinc/37/21/78/827372178.db2.gz NHXKGSWZIFQBOX-KCMJKBIASA-N 1 0 293.367 -0.557 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001268591697 827374891 /nfs/dbraw/zinc/37/48/91/827374891.db2.gz BEJHTAHIQVSXLI-ZJCJBVLXSA-N 1 0 293.367 -0.272 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001268591572 827375350 /nfs/dbraw/zinc/37/53/50/827375350.db2.gz ACGDZECADRRKEM-SNAWJCMRSA-N 1 0 286.335 -0.002 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001268602321 827377704 /nfs/dbraw/zinc/37/77/04/827377704.db2.gz ISFZJIQWAPXQKS-ONEGZZNKSA-N 1 0 285.307 -0.056 20 30 CBEDRO C=CCC[NH2+]C/C=C/CNC(=O)CN1C(=O)CN(C)C1=O ZINC001268623632 827381882 /nfs/dbraw/zinc/38/18/82/827381882.db2.gz QBHARDGIFBVQLK-AATRIKPKSA-N 1 0 294.355 -0.282 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)c1ccn(C)n1 ZINC001268625148 827383417 /nfs/dbraw/zinc/38/34/17/827383417.db2.gz LTSUAFBALXOOKQ-ARJAWSKDSA-N 1 0 276.340 -0.055 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001268636664 827384999 /nfs/dbraw/zinc/38/49/99/827384999.db2.gz ZRHJQAAJRSNLNN-SNVBAGLBSA-N 1 0 278.312 -0.460 20 30 CBEDRO COC[C@H](C)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268638896 827386936 /nfs/dbraw/zinc/38/69/36/827386936.db2.gz CDPOLLKIRVIDND-VHSXEESVSA-N 1 0 270.333 -0.997 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001268644645 827391078 /nfs/dbraw/zinc/39/10/78/827391078.db2.gz KDQGDGAGZNTNRK-NXEZZACHSA-N 1 0 279.344 -0.192 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001268652621 827392419 /nfs/dbraw/zinc/39/24/19/827392419.db2.gz MXVPTIKJKMQMEO-CYBMUJFWSA-N 1 0 296.415 -0.179 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001268651546 827393023 /nfs/dbraw/zinc/39/30/23/827393023.db2.gz IMVXZRKQQKSDIM-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO COCC1(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268652907 827393139 /nfs/dbraw/zinc/39/31/39/827393139.db2.gz DYPOTLMEIRYOHG-SNVBAGLBSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CCCn1cc(C(=O)N[C@H](C)C[NH2+]CCO)nn1 ZINC001268665293 827396320 /nfs/dbraw/zinc/39/63/20/827396320.db2.gz WVMZWNXVSKQPAP-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001268664725 827396726 /nfs/dbraw/zinc/39/67/26/827396726.db2.gz OQWYHRMIYRTJSI-SECBINFHSA-N 1 0 260.359 -0.463 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC001268672857 827397995 /nfs/dbraw/zinc/39/79/95/827397995.db2.gz BQTPNMRRIPVRJV-SNVBAGLBSA-N 1 0 289.401 -0.568 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001268675428 827398956 /nfs/dbraw/zinc/39/89/56/827398956.db2.gz ZEPOMQMVFYFMBC-MNOVXSKESA-N 1 0 272.370 -0.319 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001268674678 827399054 /nfs/dbraw/zinc/39/90/54/827399054.db2.gz XUDUJDDEIBRDLG-SNVBAGLBSA-N 1 0 264.329 -0.545 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)COC ZINC001268676607 827399433 /nfs/dbraw/zinc/39/94/33/827399433.db2.gz YZYNVFNGBPKPJQ-UWVGGRQHSA-N 1 0 257.334 -0.582 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)=O ZINC001268674615 827400163 /nfs/dbraw/zinc/40/01/63/827400163.db2.gz WVWCOLUZCQWOQH-TZMCWYRMSA-N 1 0 295.383 -0.259 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CN1CCCC1=O ZINC001268680002 827400647 /nfs/dbraw/zinc/40/06/47/827400647.db2.gz WIPVLLGAVKIGIA-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001268678735 827400813 /nfs/dbraw/zinc/40/08/13/827400813.db2.gz OMJCVWIQHRFJTE-NSHDSACASA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268682653 827402138 /nfs/dbraw/zinc/40/21/38/827402138.db2.gz PFMKODVMZPIVBK-VIFPVBQESA-N 1 0 267.333 -0.331 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001268690908 827404000 /nfs/dbraw/zinc/40/40/00/827404000.db2.gz VEWMMMWERQUQMC-IHRRRGAJSA-N 1 0 297.399 -0.814 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001268692161 827404615 /nfs/dbraw/zinc/40/46/15/827404615.db2.gz AIQLIBRWIJISGM-NSHDSACASA-N 1 0 288.351 -0.159 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)c1cn[nH]n1 ZINC001268693653 827404924 /nfs/dbraw/zinc/40/49/24/827404924.db2.gz AUOLQAAALSZMBL-VIFPVBQESA-N 1 0 251.290 -0.838 20 30 CBEDRO CC[C@@H](F)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268700783 827406352 /nfs/dbraw/zinc/40/63/52/827406352.db2.gz UHIRAJGAGOAEDA-DTWKUNHWSA-N 1 0 258.297 -0.531 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001268707378 827408219 /nfs/dbraw/zinc/40/82/19/827408219.db2.gz BVDQKIFEGNPPLF-WDEREUQCSA-N 1 0 293.371 -0.263 20 30 CBEDRO C=CC[NH2+]C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001268713594 827408655 /nfs/dbraw/zinc/40/86/55/827408655.db2.gz UDPYAODBPVTJLI-VIFPVBQESA-N 1 0 263.363 -0.842 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCN1C(=O)CCC1=O ZINC001268731945 827413687 /nfs/dbraw/zinc/41/36/87/827413687.db2.gz DGDUMNPVFJTKII-GFCCVEGCSA-N 1 0 293.367 -0.015 20 30 CBEDRO COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001268734204 827413898 /nfs/dbraw/zinc/41/38/98/827413898.db2.gz BNOPRKSHQRECIJ-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268738174 827415855 /nfs/dbraw/zinc/41/58/55/827415855.db2.gz ZUHMGWAMSHMEFA-SNVBAGLBSA-N 1 0 253.346 -0.042 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001268737260 827416265 /nfs/dbraw/zinc/41/62/65/827416265.db2.gz IVDASGIYFBPZTK-NSHDSACASA-N 1 0 279.340 -0.405 20 30 CBEDRO COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001268744594 827416499 /nfs/dbraw/zinc/41/64/99/827416499.db2.gz ZZHXHPHCANBGFS-STQMWFEESA-N 1 0 295.383 -0.307 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001268747745 827416698 /nfs/dbraw/zinc/41/66/98/827416698.db2.gz UDEKUQFJFPDTQB-SDDRHHMPSA-N 1 0 281.356 -0.521 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268750296 827416957 /nfs/dbraw/zinc/41/69/57/827416957.db2.gz KLZDKOBBGVWIKL-JTQLQIEISA-N 1 0 279.340 -0.501 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001268756742 827418385 /nfs/dbraw/zinc/41/83/85/827418385.db2.gz MMEAFHHHXJRQCH-SECBINFHSA-N 1 0 263.363 -0.842 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268760332 827418664 /nfs/dbraw/zinc/41/86/64/827418664.db2.gz ABILYHYEJUENFR-VHSXEESVSA-N 1 0 267.329 -0.338 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC(N)=O ZINC001268767466 827418850 /nfs/dbraw/zinc/41/88/50/827418850.db2.gz PPTRDXSSTHOXCS-QWRGUYRKSA-N 1 0 251.330 -0.240 20 30 CBEDRO COCC#CC[NH2+]CCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001268779693 827420501 /nfs/dbraw/zinc/42/05/01/827420501.db2.gz LVHIUDOEGVODNC-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)CCC(=O)NCC ZINC001268784211 827421873 /nfs/dbraw/zinc/42/18/73/827421873.db2.gz VBIFCDSQNJGBNS-UHFFFAOYSA-N 1 0 253.346 -0.026 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)CCC[NH2+]Cc1nnnn1C ZINC001268790843 827422355 /nfs/dbraw/zinc/42/23/55/827422355.db2.gz IRZJEOUJEJTCRV-LLVKDONJSA-N 1 0 294.359 -0.814 20 30 CBEDRO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)C#CC1CC1 ZINC001268792199 827423731 /nfs/dbraw/zinc/42/37/31/827423731.db2.gz YRPHBYIGAYCWMC-UHFFFAOYSA-N 1 0 265.357 -0.074 20 30 CBEDRO COC1CC(C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268800723 827423896 /nfs/dbraw/zinc/42/38/96/827423896.db2.gz RYTVWJORIXXDGE-UHFFFAOYSA-N 1 0 296.371 -0.511 20 30 CBEDRO C#Cc1cncc(C(=O)N(C)CCC[NH2+]CC(N)=O)c1 ZINC001268842539 827430471 /nfs/dbraw/zinc/43/04/71/827430471.db2.gz HGVMDBGPSJILSU-UHFFFAOYSA-N 1 0 274.324 -0.400 20 30 CBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1ccncn1 ZINC001268885888 827435438 /nfs/dbraw/zinc/43/54/38/827435438.db2.gz XKBGCBDEFBKBQU-UHFFFAOYSA-N 1 0 290.327 -0.832 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001268900899 827437868 /nfs/dbraw/zinc/43/78/68/827437868.db2.gz QHWSMFQPGGGIGR-UHFFFAOYSA-N 1 0 289.401 -0.498 20 30 CBEDRO CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001268950247 827443642 /nfs/dbraw/zinc/44/36/42/827443642.db2.gz PRGSFGVMQXCJLB-LLVKDONJSA-N 1 0 287.385 -0.861 20 30 CBEDRO CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001268950248 827443919 /nfs/dbraw/zinc/44/39/19/827443919.db2.gz 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ZINC001272168893 827765847 /nfs/dbraw/zinc/76/58/47/827765847.db2.gz MQHVSQCLTNEUEA-UHFFFAOYSA-N 1 0 292.383 -0.121 20 30 CBEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001272189093 827768139 /nfs/dbraw/zinc/76/81/39/827768139.db2.gz DEPFUZQZJMUCON-UHFFFAOYSA-N 1 0 271.361 -0.516 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1ccc2n[nH]nc2n1 ZINC001272182675 827768334 /nfs/dbraw/zinc/76/83/34/827768334.db2.gz RIAZNZSCEZXBGC-UHFFFAOYSA-N 1 0 288.311 -0.990 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001272190091 827768779 /nfs/dbraw/zinc/76/87/79/827768779.db2.gz PNOUUSVBOLWDQI-GFCCVEGCSA-N 1 0 281.356 -0.911 20 30 CBEDRO CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001272193860 827768954 /nfs/dbraw/zinc/76/89/54/827768954.db2.gz ISQPTFHWVVYMDR-NWDGAFQWSA-N 1 0 278.356 -0.041 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2nccn2C1 ZINC001272197094 827769848 /nfs/dbraw/zinc/76/98/48/827769848.db2.gz RRECRIQVIIPCKR-ZDUSSCGKSA-N 1 0 290.367 -0.511 20 30 CBEDRO 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292.383 -0.043 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C=C(C)C)C1=O ZINC001272351384 827783831 /nfs/dbraw/zinc/78/38/31/827783831.db2.gz JHHPRYWCXPOSIA-CHWSQXEVSA-N 1 0 295.383 -0.194 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C=C(C)C)C1=O ZINC001272351387 827784063 /nfs/dbraw/zinc/78/40/63/827784063.db2.gz JHHPRYWCXPOSIA-STQMWFEESA-N 1 0 295.383 -0.194 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnns1 ZINC001272373569 827787528 /nfs/dbraw/zinc/78/75/28/827787528.db2.gz XGOULKOAGFABSS-QMMMGPOBSA-N 1 0 254.315 -0.758 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001272373022 827787750 /nfs/dbraw/zinc/78/77/50/827787750.db2.gz VAQYACRHGIVXEV-GFCCVEGCSA-N 1 0 266.345 -0.166 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCCN1CCCC1=O ZINC001272380337 827788558 /nfs/dbraw/zinc/78/85/58/827788558.db2.gz MEPIQXJZDXNFED-RYUDHWBXSA-N 1 0 296.371 -0.775 20 30 CBEDRO CCc1ocnc1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001272388095 827790441 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O=C(C#CC1CC1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001272415524 827796364 /nfs/dbraw/zinc/79/63/64/827796364.db2.gz YORYGMDKIUZAPJ-STQMWFEESA-N 1 0 266.341 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c2c(nn1C)CCCC2 ZINC001272426594 827796472 /nfs/dbraw/zinc/79/64/72/827796472.db2.gz VOTGVQGAXJFRNA-NSHDSACASA-N 1 0 290.367 -0.388 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001272420362 827796583 /nfs/dbraw/zinc/79/65/83/827796583.db2.gz LYPNTFRFWFGKLR-SMDDNHRTSA-N 1 0 283.372 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC001272426012 827796602 /nfs/dbraw/zinc/79/66/02/827796602.db2.gz QHZJXSSVJKWINV-QWHCGFSZSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001272434531 827797206 /nfs/dbraw/zinc/79/72/06/827797206.db2.gz GTIPHLBHGCEIFT-GFCCVEGCSA-N 1 0 264.329 -0.947 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001272435374 827797401 /nfs/dbraw/zinc/79/74/01/827797401.db2.gz RVWOOLLHARBFOL-NEPJUHHUSA-N 1 0 283.372 -0.312 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccns1 ZINC001272435922 827797447 /nfs/dbraw/zinc/79/74/47/827797447.db2.gz YXEZHHSLLGHHGU-SNVBAGLBSA-N 1 0 283.353 -0.527 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001272435377 827797531 /nfs/dbraw/zinc/79/75/31/827797531.db2.gz RVWOOLLHARBFOL-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001272435733 827797842 /nfs/dbraw/zinc/79/78/42/827797842.db2.gz WSOMRMCDZIKSGG-AAEUAGOBSA-N 1 0 290.367 -0.166 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001272443088 827798604 /nfs/dbraw/zinc/79/86/04/827798604.db2.gz KSDFDTHRUOGJCM-SWLSCSKDSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc(C2CC2)cn1 ZINC001272452346 827801093 /nfs/dbraw/zinc/80/10/93/827801093.db2.gz HTIPBXWNBLBPOA-ZDUSSCGKSA-N 1 0 276.340 -0.540 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001272469364 827803875 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COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001272497101 827808696 /nfs/dbraw/zinc/80/86/96/827808696.db2.gz TXNAQCNDLAJMIP-TUAOUCFPSA-N 1 0 254.330 -0.641 20 30 CBEDRO C=CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001272505696 827810225 /nfs/dbraw/zinc/81/02/25/827810225.db2.gz ZHBMOOXZCOZFJO-NEPJUHHUSA-N 1 0 283.372 -0.360 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccnc1OC ZINC001272511334 827810432 /nfs/dbraw/zinc/81/04/32/827810432.db2.gz BIZPGRXFAFSSBF-LLVKDONJSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cn1nccc1C ZINC001272528556 827812940 /nfs/dbraw/zinc/81/29/40/827812940.db2.gz AITXYAODHUSTRK-LBPRGKRZSA-N 1 0 266.345 -0.166 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001272529863 827814742 /nfs/dbraw/zinc/81/47/42/827814742.db2.gz NJDLDTSITVRFRV-GFCCVEGCSA-N 1 0 274.320 -0.065 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)nn(C)c1OC ZINC001272536378 827817153 /nfs/dbraw/zinc/81/71/53/827817153.db2.gz BQXPALKBRAJFED-NSHDSACASA-N 1 0 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ZINC001277349924 828186458 /nfs/dbraw/zinc/18/64/58/828186458.db2.gz UBYDVHOCCRRJFB-LLVKDONJSA-N 1 0 293.371 -0.602 20 30 CBEDRO CC#CC[N@H+](C)CCOCCNC(=O)C1CN(C(C)=O)C1 ZINC001277487151 828189195 /nfs/dbraw/zinc/18/91/95/828189195.db2.gz KJSOVGYEHXZJFC-UHFFFAOYSA-N 1 0 295.383 -0.447 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@H](C)NC(C)=O ZINC001277470274 828189516 /nfs/dbraw/zinc/18/95/16/828189516.db2.gz ZRWFOFNXHCNSQR-NSHDSACASA-N 1 0 269.345 -0.791 20 30 CBEDRO C[C@H](C(=O)N(C)C)[N@@H+](C)CCOCCNC(=O)[C@@H](C)C#N ZINC001277481137 828190010 /nfs/dbraw/zinc/19/00/10/828190010.db2.gz MLTVGGUPWGMFLE-NWDGAFQWSA-N 1 0 298.387 -0.313 20 30 CBEDRO C[N@H+](CCCO)CCOCCNC(=O)C#CC1CC1 ZINC001277494410 828190865 /nfs/dbraw/zinc/19/08/65/828190865.db2.gz SRVIKILYGJPHJA-UHFFFAOYSA-N 1 0 268.357 -0.153 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001277507500 828191324 /nfs/dbraw/zinc/19/13/24/828191324.db2.gz IALZWECBEZBJOI-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)C1CC(=O)NC(=O)C1)C(C)C ZINC001277592276 828197197 /nfs/dbraw/zinc/19/71/97/828197197.db2.gz YCQYSQOQXWQMSL-GFCCVEGCSA-N 1 0 293.367 -0.207 20 30 CBEDRO C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001277651399 828201411 /nfs/dbraw/zinc/20/14/11/828201411.db2.gz CMMHWHSDZKDTJJ-NSHDSACASA-N 1 0 266.345 -0.223 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@@H](C)C1 ZINC001277739148 828205622 /nfs/dbraw/zinc/20/56/22/828205622.db2.gz FWTJKRDTDQIOIF-RYUDHWBXSA-N 1 0 276.344 -0.335 20 30 CBEDRO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CSCC#N ZINC001277759260 828207083 /nfs/dbraw/zinc/20/70/83/828207083.db2.gz IJJWOBVDAHSOQP-SECBINFHSA-N 1 0 272.374 -0.574 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H](C)C1 ZINC001277785153 828207437 /nfs/dbraw/zinc/20/74/37/828207437.db2.gz FPDJKUBOAYGUIM-WDEREUQCSA-N 1 0 266.345 -0.353 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1nnn(C)c1C ZINC001277780504 828208616 /nfs/dbraw/zinc/20/86/16/828208616.db2.gz GGLYHFWQJJDKHG-LLVKDONJSA-N 1 0 293.371 -0.177 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)CC(=O)NCC ZINC001277800644 828208988 /nfs/dbraw/zinc/20/89/88/828208988.db2.gz NOKFWBWIJDRMMF-LLVKDONJSA-N 1 0 253.346 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001277813062 828210120 /nfs/dbraw/zinc/21/01/20/828210120.db2.gz CWDWPCBKVHJMHL-LBPRGKRZSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001277819322 828210772 /nfs/dbraw/zinc/21/07/72/828210772.db2.gz KBHVNFZZRXPVPI-OLZOCXBDSA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001277819324 828211100 /nfs/dbraw/zinc/21/11/00/828211100.db2.gz KBHVNFZZRXPVPI-STQMWFEESA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001277917076 828218996 /nfs/dbraw/zinc/21/89/96/828218996.db2.gz OTLHQITXKPUJMY-SNVBAGLBSA-N 1 0 262.317 -0.572 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001277917945 828219373 /nfs/dbraw/zinc/21/93/73/828219373.db2.gz ZBSNDVKQPWDDRY-VIFPVBQESA-N 1 0 250.306 -0.410 20 30 CBEDRO C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CCC#N ZINC001277939153 828221225 /nfs/dbraw/zinc/22/12/25/828221225.db2.gz NPBOTMXIEKKIRK-BETUJISGSA-N 1 0 252.362 -0.153 20 30 CBEDRO C[C@@H](O)C[NH+]1CC2(CN(C(=O)C3(C#N)CCOCC3)C2)C1 ZINC001277954845 828222490 /nfs/dbraw/zinc/22/24/90/828222490.db2.gz IEYIMVINOXGNOT-GFCCVEGCSA-N 1 0 293.367 -0.168 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CCCS(C)(=O)=O ZINC001277962247 828223746 /nfs/dbraw/zinc/22/37/46/828223746.db2.gz FBPBJQVROILOEK-NSHDSACASA-N 1 0 274.386 -0.119 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001278010006 828229120 /nfs/dbraw/zinc/22/91/20/828229120.db2.gz HHOAQPONLPTYQW-JTQLQIEISA-N 1 0 254.334 -0.495 20 30 CBEDRO C[C@H](C#N)C(=O)NC1(C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001278039516 828234440 /nfs/dbraw/zinc/23/44/40/828234440.db2.gz SBPZFUQPALFICH-ZJUUUORDSA-N 1 0 266.345 -0.009 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C)nn1C ZINC001278047268 828236961 /nfs/dbraw/zinc/23/69/61/828236961.db2.gz BLOQLMJGPVDGAE-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1nccnc1N ZINC001278053283 828238272 /nfs/dbraw/zinc/23/82/72/828238272.db2.gz FHPDEHMSZHWGKM-SECBINFHSA-N 1 0 265.317 -0.685 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)n1cccn1 ZINC001278048510 828238502 /nfs/dbraw/zinc/23/85/02/828238502.db2.gz QGNNCHLQBJPUPZ-QWRGUYRKSA-N 1 0 252.318 -0.303 20 30 CBEDRO Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N)n1 ZINC001278053906 828239192 /nfs/dbraw/zinc/23/91/92/828239192.db2.gz LVIOEOZWFLTULO-GXSJLCMTSA-N 1 0 295.343 -0.463 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nc1C ZINC001278054294 828239316 /nfs/dbraw/zinc/23/93/16/828239316.db2.gz PVJPOUAFFFWHIA-SNVBAGLBSA-N 1 0 252.318 -0.405 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001278070010 828240386 /nfs/dbraw/zinc/24/03/86/828240386.db2.gz FXPNPWJISUDUJL-VXGBXAGGSA-N 1 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HKRTXHDXPAUZND-YPMHNXCESA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC(=C)C ZINC001278077231 828242779 /nfs/dbraw/zinc/24/27/79/828242779.db2.gz HDTTWGXYFDETNW-NEPJUHHUSA-N 1 0 254.330 -0.333 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001278093419 828244646 /nfs/dbraw/zinc/24/46/46/828244646.db2.gz KHIDTCMRBUDUSE-JTQLQIEISA-N 1 0 288.311 -0.944 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001278094751 828244728 /nfs/dbraw/zinc/24/47/28/828244728.db2.gz YSMNRZMSFLECAA-NSHDSACASA-N 1 0 292.339 -0.094 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001278093697 828244931 /nfs/dbraw/zinc/24/49/31/828244931.db2.gz PMJZCXIXVGJYTQ-JTQLQIEISA-N 1 0 275.312 -0.176 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001278093279 828245024 /nfs/dbraw/zinc/24/50/24/828245024.db2.gz HXRZQAGWWIAAGO-QWRGUYRKSA-N 1 0 297.355 -0.833 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccnc2[nH]cnc21 ZINC001278093396 828245089 /nfs/dbraw/zinc/24/50/89/828245089.db2.gz JMWQKYCGXXUONM-SNVBAGLBSA-N 1 0 287.323 -0.339 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001278093281 828245370 /nfs/dbraw/zinc/24/53/70/828245370.db2.gz HXRZQAGWWIAAGO-WDEREUQCSA-N 1 0 297.355 -0.833 20 30 CBEDRO C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001278093361 828245375 /nfs/dbraw/zinc/24/53/75/828245375.db2.gz ISLUAAYHICCULX-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn2ccncc12 ZINC001278093673 828245696 /nfs/dbraw/zinc/24/56/96/828245696.db2.gz PGGWJULBEJAOTE-JTQLQIEISA-N 1 0 273.296 -0.957 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001278094108 828245732 /nfs/dbraw/zinc/24/57/32/828245732.db2.gz SYZSYHFOOOGLKC-LBPRGKRZSA-N 1 0 291.355 -0.755 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001278100462 828247293 /nfs/dbraw/zinc/24/72/93/828247293.db2.gz YGQTZBUQLVNZFS-NWDGAFQWSA-N 1 0 290.367 -0.221 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1COC ZINC001278105835 828247874 /nfs/dbraw/zinc/24/78/74/828247874.db2.gz PSMIBJSTSTYGOE-NSHDSACASA-N 1 0 294.355 -0.730 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001278104937 828248015 /nfs/dbraw/zinc/24/80/15/828248015.db2.gz BYFBXIGRWJOKQR-STQMWFEESA-N 1 0 290.367 -0.465 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C1(COCC)CC1 ZINC001278106341 828249445 /nfs/dbraw/zinc/24/94/45/828249445.db2.gz XEWSTXCYKBULHN-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1OC ZINC001278129900 828250005 /nfs/dbraw/zinc/25/00/05/828250005.db2.gz QBTBWJPSZAQMNL-JTQLQIEISA-N 1 0 282.344 -0.315 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001278119417 828250179 /nfs/dbraw/zinc/25/01/79/828250179.db2.gz JHXUJIWYRMFRCF-UMVBOHGHSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccn2nnnc2c1 ZINC001278129607 828250251 /nfs/dbraw/zinc/25/02/51/828250251.db2.gz OVHHUWKWUTXVDL-LLVKDONJSA-N 1 0 290.327 -0.619 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001278118928 828250343 /nfs/dbraw/zinc/25/03/43/828250343.db2.gz FKBVAQBAWVZLBS-XDQVBPFNSA-N 1 0 280.368 -0.109 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccn2nnnc2c1 ZINC001278129608 828250693 /nfs/dbraw/zinc/25/06/93/828250693.db2.gz OVHHUWKWUTXVDL-NSHDSACASA-N 1 0 290.327 -0.619 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001278137092 828251433 /nfs/dbraw/zinc/25/14/33/828251433.db2.gz CKWKEQGTIGINHX-MRVPVSSYSA-N 1 0 291.311 -0.470 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CC(F)(F)C(F)F ZINC001278156459 828253195 /nfs/dbraw/zinc/25/31/95/828253195.db2.gz XSMODRYZJPCBTL-SSDOTTSWSA-N 1 0 270.226 -0.023 20 30 CBEDRO C#CCN(C(=O)CNC(=O)NC)C1CC[NH+](CC#C)CC1 ZINC001278157458 828253269 /nfs/dbraw/zinc/25/32/69/828253269.db2.gz MNVQSPIDHGVSQC-UHFFFAOYSA-N 1 0 290.367 -0.525 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(OC)o1 ZINC001278171695 828255210 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CBEDRO C#CCCN1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278868211 828302601 /nfs/dbraw/zinc/30/26/01/828302601.db2.gz QZUFQRLYGSIMCF-AWEZNQCLSA-N 1 0 291.395 -0.486 20 30 CBEDRO C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001278868820 828302751 /nfs/dbraw/zinc/30/27/51/828302751.db2.gz IXECBBMQDWIACI-QWHCGFSZSA-N 1 0 297.399 -0.160 20 30 CBEDRO C=CCN1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278872234 828302833 /nfs/dbraw/zinc/30/28/33/828302833.db2.gz DUWHMRUCINZKAY-UHFFFAOYSA-N 1 0 267.373 -0.180 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)NC(C)=O ZINC001278878897 828303493 /nfs/dbraw/zinc/30/34/93/828303493.db2.gz WMZZYYGHTSFZBR-GFCCVEGCSA-N 1 0 285.388 -0.162 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001278874032 828303644 /nfs/dbraw/zinc/30/36/44/828303644.db2.gz SUIQOVUMGISZDK-SECBINFHSA-N 1 0 268.292 -0.453 20 30 CBEDRO C[NH+](C)CCCC(=O)NCC1(O)CN(CC#N)C1 ZINC001278899815 828307235 /nfs/dbraw/zinc/30/72/35/828307235.db2.gz 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C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001279092413 828316748 /nfs/dbraw/zinc/31/67/48/828316748.db2.gz DBNLSHXUXFZEKA-CMPLNLGQSA-N 1 0 263.341 -0.431 20 30 CBEDRO CC(C)C#CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001279228432 828319087 /nfs/dbraw/zinc/31/90/87/828319087.db2.gz BIQWRVLPNDBJIG-UHFFFAOYSA-N 1 0 251.330 -0.290 20 30 CBEDRO CN(CCOCC[NH2+]CCO)C(=O)c1ccc(C#N)[nH]1 ZINC001279403162 828320322 /nfs/dbraw/zinc/32/03/22/828320322.db2.gz XVPPKWYALNINNU-UHFFFAOYSA-N 1 0 280.328 -0.443 20 30 CBEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)NC(=O)CC)C[C@H]2C1 ZINC001279362822 828321007 /nfs/dbraw/zinc/32/10/07/828321007.db2.gz LBLAAKXIBOMIEX-RWMBFGLXSA-N 1 0 277.368 -0.076 20 30 CBEDRO C[C@H](O)C[NH2+]CCOCCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001279401743 828321246 /nfs/dbraw/zinc/32/12/46/828321246.db2.gz FQYYLXFGXLCJOO-NSHDSACASA-N 1 0 294.355 -0.055 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001279393387 828321404 /nfs/dbraw/zinc/32/14/04/828321404.db2.gz 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C=C(C)C[NH+]1CCC(N2C(=O)N[C@H](CO)C2=O)CC1 ZINC001350943416 891070580 /nfs/dbraw/zinc/07/05/80/891070580.db2.gz CIZASVITAHWKMX-LLVKDONJSA-N 1 0 267.329 -0.060 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001351571231 891156804 /nfs/dbraw/zinc/15/68/04/891156804.db2.gz YIPLWSIIOCHHQF-MNOVXSKESA-N 1 0 251.330 -0.111 20 30 CBEDRO C#CC[NH2+]C1CCN(C(=O)CNS(=O)(=O)CC)CC1 ZINC001200858603 884741947 /nfs/dbraw/zinc/74/19/47/884741947.db2.gz BHXQIZRJMYLCHH-UHFFFAOYSA-N 1 0 287.385 -0.861 20 30 CBEDRO C#CC[NH2+]CC1CCN(C(=O)[C@]2(C)CCNC2=O)CC1 ZINC001206261346 884756130 /nfs/dbraw/zinc/75/61/30/884756130.db2.gz PZXMOKPRVYCJSJ-OAHLLOKOSA-N 1 0 277.368 -0.026 20 30 CBEDRO C=CCCOCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001211355610 884772161 /nfs/dbraw/zinc/77/21/61/884772161.db2.gz VFZAAJBWURPEOK-LLVKDONJSA-N 1 0 269.345 -0.355 20 30 CBEDRO C#CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370841 884777781 /nfs/dbraw/zinc/77/77/81/884777781.db2.gz NLFPJKDMWIOLCJ-VXGBXAGGSA-N 1 0 253.346 -0.613 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cn(C)nc1CC ZINC001326041344 884882816 /nfs/dbraw/zinc/88/28/16/884882816.db2.gz HNYUNOLGJLGSCN-UHFFFAOYSA-N 1 0 278.356 -0.360 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)Cc1cncs1 ZINC001326042041 884884318 /nfs/dbraw/zinc/88/43/18/884884318.db2.gz PIPDEMYCNPGTHM-UHFFFAOYSA-N 1 0 267.354 -0.271 20 30 CBEDRO C=C[C@@H](COC)[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001326156550 884923923 /nfs/dbraw/zinc/92/39/23/884923923.db2.gz PVJGBBZZQXXGIL-JTQLQIEISA-N 1 0 263.359 -0.283 20 30 CBEDRO CCNC(NCc1nnc2n1CCOC2)=[NH+]CC ZINC001326907355 885188179 /nfs/dbraw/zinc/18/81/79/885188179.db2.gz VIYUVUOAAOKTTC-UHFFFAOYSA-N 1 0 252.322 -0.117 20 30 CBEDRO C#CCOCC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC001327554996 885405469 /nfs/dbraw/zinc/40/54/69/885405469.db2.gz POENHDSWUUCYSH-HNNXBMFYSA-N 1 0 276.336 -0.059 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001328299801 885627704 /nfs/dbraw/zinc/62/77/04/885627704.db2.gz FDJAIPPSXUJEKC-UWVGGRQHSA-N 1 0 257.334 -0.453 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001328403253 885671982 /nfs/dbraw/zinc/67/19/82/885671982.db2.gz SITNDPCWEAXYOL-NSHDSACASA-N 1 0 281.356 -0.614 20 30 CBEDRO CNC(=O)[C@H](O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001328413038 885678819 /nfs/dbraw/zinc/67/88/19/885678819.db2.gz NUUCJPDLQLVEAV-NWDGAFQWSA-N 1 0 263.297 -0.712 20 30 CBEDRO C[C@H](C(=O)N1CC(C[NH+](C)C)C1)n1cnc(C#N)n1 ZINC001328722688 885791534 /nfs/dbraw/zinc/79/15/34/885791534.db2.gz QLWBHQLKWZPQFI-SECBINFHSA-N 1 0 262.317 -0.269 20 30 CBEDRO C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001328764714 885806747 /nfs/dbraw/zinc/80/67/47/885806747.db2.gz MZWZCJGWZBYVAA-GHMZBOCLSA-N 1 0 264.329 -0.776 20 30 CBEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCNC(=O)COC ZINC001329051507 885903442 /nfs/dbraw/zinc/90/34/42/885903442.db2.gz XSGLUXFNKGTNSM-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC#Cc1ccccc1 ZINC001329068578 885913982 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C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001330595762 886495982 /nfs/dbraw/zinc/49/59/82/886495982.db2.gz YRQNBXMTALYZRX-GUBZILKMSA-N 1 0 251.286 -0.788 20 30 CBEDRO CC#CC[NH2+]CCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001330978092 886638361 /nfs/dbraw/zinc/63/83/61/886638361.db2.gz VIKADZFUCIXKNH-LLVKDONJSA-N 1 0 294.355 -0.564 20 30 CBEDRO C=CCNC(=O)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331330966 886777652 /nfs/dbraw/zinc/77/76/52/886777652.db2.gz UDZVSFCUQQWGBT-IQLKVPPVSA-N 1 0 276.340 -0.456 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)OC ZINC001331407533 886795434 /nfs/dbraw/zinc/79/54/34/886795434.db2.gz RXDNVJAEYDQRAS-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001331489500 886822506 /nfs/dbraw/zinc/82/25/06/886822506.db2.gz LTQIMTBFSPDKPE-QWRGUYRKSA-N 1 0 274.386 -0.121 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001331528333 886833257 /nfs/dbraw/zinc/83/32/57/886833257.db2.gz CTSSYKCPLBOBOJ-SMDDNHRTSA-N 1 0 299.346 -0.699 20 30 CBEDRO O=C1[C@@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)CCCN1O ZINC001331582894 886855159 /nfs/dbraw/zinc/85/51/59/886855159.db2.gz KVSYEXWDMUTUGE-UWVGGRQHSA-N 1 0 276.358 -0.077 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]CCOC1CCC1 ZINC001331682428 886903916 /nfs/dbraw/zinc/90/39/16/886903916.db2.gz IICOGQTYBKUFIT-QWRGUYRKSA-N 1 0 269.345 -0.218 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1ncoc1CC ZINC001331683678 886905414 /nfs/dbraw/zinc/90/54/14/886905414.db2.gz MAUUHEYSCHYSBV-SNVBAGLBSA-N 1 0 265.313 -0.059 20 30 CBEDRO CC#CCCCC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001331771150 886966218 /nfs/dbraw/zinc/96/62/18/886966218.db2.gz JNKVQDHDIWSMNC-RYUDHWBXSA-N 1 0 256.346 -0.373 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001331786316 886977316 /nfs/dbraw/zinc/97/73/16/886977316.db2.gz BPZOIEHANMZUJK-GXFFZTMASA-N 1 0 269.345 -0.845 20 30 CBEDRO CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001331850276 887011262 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C#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001332548039 887349293 /nfs/dbraw/zinc/34/92/93/887349293.db2.gz WMACQQREQNOUKN-LBPRGKRZSA-N 1 0 264.329 -0.766 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1coc(OCC)n1 ZINC001332536740 887346583 /nfs/dbraw/zinc/34/65/83/887346583.db2.gz LEYFFTJGUYHPFE-JTQLQIEISA-N 1 0 281.312 -0.271 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001332634352 887385577 /nfs/dbraw/zinc/38/55/77/887385577.db2.gz RAVKXFPUBLPYDH-LBPRGKRZSA-N 1 0 278.356 -0.192 20 30 CBEDRO CC1CC[NH+](CC(=O)N(C)C[C@H](O)CN(C)CC#N)CC1 ZINC001332663177 887397368 /nfs/dbraw/zinc/39/73/68/887397368.db2.gz BHIAXQCFOKTYNJ-CQSZACIVSA-N 1 0 296.415 -0.007 20 30 CBEDRO C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C(C)(C)C ZINC001332677070 887401227 /nfs/dbraw/zinc/40/12/27/887401227.db2.gz HKPAZSQQHGCPPJ-GFCCVEGCSA-N 1 0 297.399 -0.467 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1COCCO1 ZINC001333207953 887560184 /nfs/dbraw/zinc/56/01/84/887560184.db2.gz ZIXMSDJABZFGHN-GFCCVEGCSA-N 1 0 270.329 -0.900 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001333267773 887576939 /nfs/dbraw/zinc/57/69/39/887576939.db2.gz OGCHTFSWVWDTEV-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO N#CCNC(=O)CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001333585704 887704089 /nfs/dbraw/zinc/70/40/89/887704089.db2.gz FIIXLMVPGYKAGQ-UWVGGRQHSA-N 1 0 265.317 -0.838 20 30 CBEDRO CC[C@H]([NH2+]C)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001333628687 887723976 /nfs/dbraw/zinc/72/39/76/887723976.db2.gz BEHMNMPMQCQFLI-QYARFRDLSA-N 1 0 280.328 -0.373 20 30 CBEDRO C=CCN(C(=O)[C@H]([NH3+])CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001333630997 887726050 /nfs/dbraw/zinc/72/60/50/887726050.db2.gz LPDOJDGGOHHAER-WDEREUQCSA-N 1 0 290.385 -0.448 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC001333638950 887731377 /nfs/dbraw/zinc/73/13/77/887731377.db2.gz IKNZVQBBBWZTEJ-LLVKDONJSA-N 1 0 283.372 -0.014 20 30 CBEDRO C[NH+]1CCC(OCC(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001333740232 887755878 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C[C@]1(C#N)CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC001342112027 889715184 /nfs/dbraw/zinc/71/51/84/889715184.db2.gz ORUIVGXTMRCNPD-FOGDFJRCSA-N 1 0 253.302 -0.509 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC001343298294 889885416 /nfs/dbraw/zinc/88/54/16/889885416.db2.gz GITNKOBEUVFXLK-CHWSQXEVSA-N 1 0 280.368 -0.012 20 30 CBEDRO CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001444300408 912415254 /nfs/dbraw/zinc/41/52/54/912415254.db2.gz IAXWRNMYCUEIPY-GHMZBOCLSA-N 1 0 284.360 -0.920 20 30 CBEDRO CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H](C)C#N ZINC001444296858 912415690 /nfs/dbraw/zinc/41/56/90/912415690.db2.gz BZHCDDSQNKUCMS-GHMZBOCLSA-N 1 0 284.360 -0.919 20 30 CBEDRO CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@H](C)C#N ZINC001444300409 912416219 /nfs/dbraw/zinc/41/62/19/912416219.db2.gz IAXWRNMYCUEIPY-MNOVXSKESA-N 1 0 284.360 -0.920 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC001343725981 889956194 /nfs/dbraw/zinc/95/61/94/889956194.db2.gz 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280.368 -0.011 20 30 CBEDRO CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001328154656 885586833 /nfs/dbraw/zinc/58/68/33/885586833.db2.gz NZTSHUBKYAQPAW-NSHDSACASA-N 1 0 295.339 -0.939 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001328170512 885590032 /nfs/dbraw/zinc/59/00/32/885590032.db2.gz HUKKULZROCJMQN-UHFFFAOYSA-N 1 0 290.323 -0.628 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001328187669 885595119 /nfs/dbraw/zinc/59/51/19/885595119.db2.gz YZSLCASMCZDEKC-NSHDSACASA-N 1 0 296.371 -0.861 20 30 CBEDRO C=CCCC(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001328312470 885630820 /nfs/dbraw/zinc/63/08/20/885630820.db2.gz HYYYSWKPVBZROB-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001328354977 885651466 /nfs/dbraw/zinc/65/14/66/885651466.db2.gz WQKSVJWEOCGKAS-UHFFFAOYSA-N 1 0 271.361 -0.109 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC001328380465 885663947 /nfs/dbraw/zinc/66/39/47/885663947.db2.gz 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C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](C)OC)C1 ZINC001328836133 885826119 /nfs/dbraw/zinc/82/61/19/885826119.db2.gz SFGZVRSXXTWAMG-VOMCLLRMSA-N 1 0 281.356 -0.745 20 30 CBEDRO C#CC[NH2+]CC1CC(NC(=O)[C@H](COC)OC)C1 ZINC001328912031 885846204 /nfs/dbraw/zinc/84/62/04/885846204.db2.gz PRTAVUZTRDHKBC-MCIGGMRASA-N 1 0 254.330 -0.235 20 30 CBEDRO C#CCC[NH2+]CC1CC(NC(=O)C2(C(N)=O)CC2)C1 ZINC001328911528 885846893 /nfs/dbraw/zinc/84/68/93/885846893.db2.gz JWVWHEYUJVWYKV-UHFFFAOYSA-N 1 0 263.341 -0.240 20 30 CBEDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC#N)C[NH2+]1 ZINC001329013215 885881475 /nfs/dbraw/zinc/88/14/75/885881475.db2.gz GILXXLZUTQEEKS-NXEZZACHSA-N 1 0 252.318 -0.337 20 30 CBEDRO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)[NH2+]CCO ZINC001329014137 885882440 /nfs/dbraw/zinc/88/24/40/885882440.db2.gz JEBAMKJNZPPXBP-DTWKUNHWSA-N 1 0 250.302 -0.025 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(C)O ZINC001329028624 885889723 /nfs/dbraw/zinc/88/97/23/885889723.db2.gz SSXQOEHOCQTWNK-WDEREUQCSA-N 1 0 283.372 -0.620 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001329076272 885916299 /nfs/dbraw/zinc/91/62/99/885916299.db2.gz REPZKUGWFLJUGJ-GHMZBOCLSA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001329076275 885917353 /nfs/dbraw/zinc/91/73/53/885917353.db2.gz REPZKUGWFLJUGJ-WDEREUQCSA-N 1 0 266.345 -0.482 20 30 CBEDRO COCC#CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001329094619 885926241 /nfs/dbraw/zinc/92/62/41/885926241.db2.gz KBEQSOHYILHXJW-UHFFFAOYSA-N 1 0 267.373 -0.222 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC001329128289 885942628 /nfs/dbraw/zinc/94/26/28/885942628.db2.gz UZKKNTYOLXGBRT-VOAKCMCISA-N 1 0 295.383 -0.111 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC001329128293 885943299 /nfs/dbraw/zinc/94/32/99/885943299.db2.gz UZKKNTYOLXGBRT-XQHKEYJVSA-N 1 0 295.383 -0.111 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCNC(=O)C1N=CC=CC1=O 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20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001329203566 885967973 /nfs/dbraw/zinc/96/79/73/885967973.db2.gz VKGQOGVEJUZXAV-GHMZBOCLSA-N 1 0 278.356 -0.157 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC001329231234 885973846 /nfs/dbraw/zinc/97/38/46/885973846.db2.gz RFDDLBBLIMADMQ-HIFPTAJRSA-N 1 0 295.383 -0.131 20 30 CBEDRO N#CCNC(=O)CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001329234166 885976392 /nfs/dbraw/zinc/97/63/92/885976392.db2.gz KUBYBXPFHLVSKU-QWRGUYRKSA-N 1 0 279.344 -0.448 20 30 CBEDRO COCC#CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001329242649 885979726 /nfs/dbraw/zinc/97/97/26/885979726.db2.gz NLGWWZGHZNOJIY-ZDUSSCGKSA-N 1 0 297.399 -0.155 20 30 CBEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001329252539 885985473 /nfs/dbraw/zinc/98/54/73/885985473.db2.gz LCWDDBOZNJCSND-NWDGAFQWSA-N 1 0 294.355 -0.806 20 30 CBEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C#CCOC ZINC001329275348 885992391 /nfs/dbraw/zinc/99/23/91/885992391.db2.gz 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CBEDRO CC#CCN1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001329707371 886182616 /nfs/dbraw/zinc/18/26/16/886182616.db2.gz HHXHJHRFEKVGSL-CQSZACIVSA-N 1 0 293.411 -0.096 20 30 CBEDRO N#Cc1ncn(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC001329760943 886198460 /nfs/dbraw/zinc/19/84/60/886198460.db2.gz WBCYHKCXMXLPFL-LBPRGKRZSA-N 1 0 260.301 -0.638 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001329767964 886202040 /nfs/dbraw/zinc/20/20/40/886202040.db2.gz KRGFVKGYZDQXRC-PHIMTYICSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001329768895 886205712 /nfs/dbraw/zinc/20/57/12/886205712.db2.gz VTQOEQAAHIBPKA-VXGBXAGGSA-N 1 0 283.372 -0.061 20 30 CBEDRO COC(=O)[C@@H]1CC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)O1 ZINC001329792927 886212725 /nfs/dbraw/zinc/21/27/25/886212725.db2.gz NFOVUOIYOFHMNS-MNOVXSKESA-N 1 0 295.339 -0.189 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC001329836628 886231754 /nfs/dbraw/zinc/23/17/54/886231754.db2.gz 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IOMHCBXLXJPOJF-LLVKDONJSA-N 1 0 253.350 -0.165 20 30 CBEDRO CC(C)OCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331395097 886793917 /nfs/dbraw/zinc/79/39/17/886793917.db2.gz ZPWCBZXROCYHIB-NSHDSACASA-N 1 0 284.360 -0.512 20 30 CBEDRO C[C@@H](CN(C)C(=O)CC1(O)CCC1)[NH2+]CC(=O)NCC#N ZINC001331438542 886808102 /nfs/dbraw/zinc/80/81/02/886808102.db2.gz HUEZDDXENKHTFS-NSHDSACASA-N 1 0 296.371 -0.632 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C#CC1CC1 ZINC001331437555 886808670 /nfs/dbraw/zinc/80/86/70/886808670.db2.gz BDSAKAXRBQKPJJ-STQMWFEESA-N 1 0 289.379 -0.026 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001331487431 886821987 /nfs/dbraw/zinc/82/19/87/886821987.db2.gz GSSXQQCJCWHDGK-JTQLQIEISA-N 1 0 271.386 -0.559 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cnco1 ZINC001331515670 886829761 /nfs/dbraw/zinc/82/97/61/886829761.db2.gz HMRQSMKXNHDWBH-JTQLQIEISA-N 1 0 278.312 -0.526 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001331532293 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C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC001331627915 886872985 /nfs/dbraw/zinc/87/29/85/886872985.db2.gz FJTCQZVOLZOHPU-WOPDTQHZSA-N 1 0 269.345 -0.720 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1nonc1C ZINC001331645775 886878216 /nfs/dbraw/zinc/87/82/16/886878216.db2.gz CJTIIJKQKMXEFR-VIFPVBQESA-N 1 0 295.343 -0.270 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001331652099 886882383 /nfs/dbraw/zinc/88/23/83/886882383.db2.gz YZTKKSLPGACUIO-MNOVXSKESA-N 1 0 274.386 -0.263 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccncc1 ZINC001331665342 886890873 /nfs/dbraw/zinc/89/08/73/886890873.db2.gz OVFPVPAYZBCKED-GFCCVEGCSA-N 1 0 292.339 -0.936 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(C)c1C ZINC001331665802 886891430 /nfs/dbraw/zinc/89/14/30/886891430.db2.gz LMQKVJGOLRQZSL-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cnccn1 ZINC001331667243 886895256 /nfs/dbraw/zinc/89/52/56/886895256.db2.gz 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C#CCC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001331742312 886952058 /nfs/dbraw/zinc/95/20/58/886952058.db2.gz ZBFGQSFDOBQPPU-GFCCVEGCSA-N 1 0 291.351 -0.603 20 30 CBEDRO CN(CCOCC[NH3+])C(=O)C(=O)NCCCCC#N ZINC001331746218 886953329 /nfs/dbraw/zinc/95/33/29/886953329.db2.gz VGBOLJAIGQKKCC-UHFFFAOYSA-N 1 0 270.333 -0.770 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](OC)C1CCC1 ZINC001331759863 886961602 /nfs/dbraw/zinc/96/16/02/886961602.db2.gz WPFGZDLDMRTFRM-OLZOCXBDSA-N 1 0 268.357 -0.109 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)COC ZINC001331759973 886961942 /nfs/dbraw/zinc/96/19/42/886961942.db2.gz QWDCOERLVWJESY-LLVKDONJSA-N 1 0 256.346 -0.251 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cnco1 ZINC001331759056 886962485 /nfs/dbraw/zinc/96/24/85/886962485.db2.gz SXWQQMBHQHIEIU-SNVBAGLBSA-N 1 0 267.285 -0.995 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001331770046 886966676 /nfs/dbraw/zinc/96/66/76/886966676.db2.gz FSEARVPQNWCXJC-SMDDNHRTSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001331771151 886967743 /nfs/dbraw/zinc/96/77/43/886967743.db2.gz JNKVQDHDIWSMNC-VXGBXAGGSA-N 1 0 256.346 -0.373 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001331770043 886968319 /nfs/dbraw/zinc/96/83/19/886968319.db2.gz FSEARVPQNWCXJC-FZMZJTMJSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001331773052 886971605 /nfs/dbraw/zinc/97/16/05/886971605.db2.gz SOYHKYVPRAAASD-MRVPVSSYSA-N 1 0 269.326 -0.448 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001331789446 886980949 /nfs/dbraw/zinc/98/09/49/886980949.db2.gz JADAYBNEVGOLOI-SNVBAGLBSA-N 1 0 288.307 -0.017 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001331789991 886981629 /nfs/dbraw/zinc/98/16/29/886981629.db2.gz LXZPBBJGWPKZJD-MELADBBJSA-N 1 0 273.336 -0.115 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001331791148 886985082 /nfs/dbraw/zinc/98/50/82/886985082.db2.gz UGYSCVWDNDOBSE-MJBXVCDLSA-N 1 0 296.367 -0.706 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1ccnc1 ZINC001331791968 886985445 /nfs/dbraw/zinc/98/54/45/886985445.db2.gz XUIBNBTYFFQMHX-STQMWFEESA-N 1 0 278.356 -0.076 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001331803355 886987631 /nfs/dbraw/zinc/98/76/31/886987631.db2.gz HIDFOQLCBMRDFV-CYBMUJFWSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001331817865 886996498 /nfs/dbraw/zinc/99/64/98/886996498.db2.gz AYJJQMTZEBDXGK-LLVKDONJSA-N 1 0 283.372 -0.455 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cn(C)nc1Cl ZINC001331822596 886998892 /nfs/dbraw/zinc/99/88/92/886998892.db2.gz BNZFWLHLEWOGHA-QMMMGPOBSA-N 1 0 272.736 -0.060 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001331825226 887002467 /nfs/dbraw/zinc/00/24/67/887002467.db2.gz NNDSBWFQELLNRT-QWHCGFSZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001331839097 887008076 /nfs/dbraw/zinc/00/80/76/887008076.db2.gz BBMCBICUWDWWMD-QWRGUYRKSA-N 1 0 292.401 -0.690 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cc(C)cn1 ZINC001331839887 887008469 /nfs/dbraw/zinc/00/84/69/887008469.db2.gz GTCWTEGFWHILCR-CYBMUJFWSA-N 1 0 278.356 -0.328 20 30 CBEDRO N#CC1(C[C@H](O)C[NH2+]CCN2CC[C@@H](O)C2)CCOCC1 ZINC001331846824 887011325 /nfs/dbraw/zinc/01/13/25/887011325.db2.gz HGWVLGJIWLWOCJ-KGLIPLIRSA-N 1 0 297.399 -0.286 20 30 CBEDRO C=CCNC(=O)[C@@H](C)n1cc(C[C@@H]([NH3+])COC)nn1 ZINC001331875931 887026431 /nfs/dbraw/zinc/02/64/31/887026431.db2.gz YCOLOUTXIHDQSH-NXEZZACHSA-N 1 0 267.333 -0.343 20 30 CBEDRO C[NH+]1CCN(CCCS(=O)(=O)NCCC#N)CC1 ZINC001331929986 887048991 /nfs/dbraw/zinc/04/89/91/887048991.db2.gz RXGNZPPJHRPPMF-UHFFFAOYSA-N 1 0 274.390 -0.543 20 30 CBEDRO N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001331941124 887054147 /nfs/dbraw/zinc/05/41/47/887054147.db2.gz 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C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001332529600 887340701 /nfs/dbraw/zinc/34/07/01/887340701.db2.gz PBXAQSSCCIDJGA-LLVKDONJSA-N 1 0 290.385 -0.984 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001332536088 887343222 /nfs/dbraw/zinc/34/32/22/887343222.db2.gz BPMTUXJILZLERB-NSHDSACASA-N 1 0 264.329 -0.534 20 30 CBEDRO CN(C[C@H](O)C[NH2+]CC(=O)NCC#N)C(=O)CC1(C)CC1 ZINC001332545444 887348876 /nfs/dbraw/zinc/34/88/76/887348876.db2.gz DWGAFASJXJPBDL-LLVKDONJSA-N 1 0 296.371 -0.775 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001332562393 887354456 /nfs/dbraw/zinc/35/44/56/887354456.db2.gz VGBUSSLSEBWSDR-CYBMUJFWSA-N 1 0 291.351 -0.238 20 30 CBEDRO C#Cc1cncc(C(=O)N(C)C[C@H](O)C[NH2+]CCO)c1 ZINC001332565749 887359365 /nfs/dbraw/zinc/35/93/65/887359365.db2.gz HMTHDVNDGZJZIW-CYBMUJFWSA-N 1 0 277.324 -0.922 20 30 CBEDRO CC(C)[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001332579779 887364707 /nfs/dbraw/zinc/36/47/07/887364707.db2.gz UYMMNAYNOFIHBW-NEPJUHHUSA-N 1 0 298.387 -0.673 20 30 CBEDRO CC(C)[C@H](C)C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001332579780 887365033 /nfs/dbraw/zinc/36/50/33/887365033.db2.gz UYMMNAYNOFIHBW-NWDGAFQWSA-N 1 0 298.387 -0.673 20 30 CBEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001332618841 887377569 /nfs/dbraw/zinc/37/75/69/887377569.db2.gz MTVOYECUQRSEDM-JTQLQIEISA-N 1 0 257.334 -0.811 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001332615919 887377941 /nfs/dbraw/zinc/37/79/41/887377941.db2.gz HOGDUCQDMFIEOU-LLVKDONJSA-N 1 0 264.329 -0.236 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001332616259 887378971 /nfs/dbraw/zinc/37/89/71/887378971.db2.gz KBTMZJKEQTWTJQ-AAEUAGOBSA-N 1 0 285.388 -0.162 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001332632708 887383365 /nfs/dbraw/zinc/38/33/65/887383365.db2.gz OUGALKHBTOUBMB-CHWSQXEVSA-N 1 0 297.399 -0.208 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001332632884 887383791 /nfs/dbraw/zinc/38/37/91/887383791.db2.gz KKOXUQUZGMMONT-STQMWFEESA-N 1 0 295.383 -0.571 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001332630893 887384303 /nfs/dbraw/zinc/38/43/03/887384303.db2.gz CDVBDIXSAIGPHR-OLZOCXBDSA-N 1 0 297.399 -0.160 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCNC(=O)NC ZINC001332635144 887384639 /nfs/dbraw/zinc/38/46/39/887384639.db2.gz WFVCUPZRADSAAL-GFCCVEGCSA-N 1 0 298.387 -0.920 20 30 CBEDRO C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnn(CC)n1 ZINC001332634415 887384787 /nfs/dbraw/zinc/38/47/87/887384787.db2.gz ROAXALYEQOVBCE-LBPRGKRZSA-N 1 0 293.371 -0.314 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O ZINC001332632882 887385355 /nfs/dbraw/zinc/38/53/55/887385355.db2.gz KKOXUQUZGMMONT-OLZOCXBDSA-N 1 0 295.383 -0.571 20 30 CBEDRO C#CCCCC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O ZINC001332632881 887386674 /nfs/dbraw/zinc/38/66/74/887386674.db2.gz KKOXUQUZGMMONT-CHWSQXEVSA-N 1 0 295.383 -0.571 20 30 CBEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001332646034 887391009 /nfs/dbraw/zinc/39/10/09/887391009.db2.gz BZJDXPFFDIBATA-OLZOCXBDSA-N 1 0 297.399 -0.208 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)cn1 ZINC001332678108 887404288 /nfs/dbraw/zinc/40/42/88/887404288.db2.gz NDQCKCKOFJOZRW-CQSZACIVSA-N 1 0 291.351 -0.580 20 30 CBEDRO C#CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC001332697780 887409217 /nfs/dbraw/zinc/40/92/17/887409217.db2.gz MEMRULWZWJYTAB-ZDUSSCGKSA-N 1 0 294.399 -0.781 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)COCc1cc[nH]c(=O)c1 ZINC001332706522 887411647 /nfs/dbraw/zinc/41/16/47/887411647.db2.gz HOHYLCHMXBJNNF-UHFFFAOYSA-N 1 0 277.324 -0.015 20 30 CBEDRO CNC(=O)c1cccc(C(=O)NCC#CC[NH+](C)C)n1 ZINC001332707966 887412340 /nfs/dbraw/zinc/41/23/40/887412340.db2.gz RKDUVLIJNVLLGD-UHFFFAOYSA-N 1 0 274.324 -0.264 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[C@H]1C[NH3+] ZINC001332896044 887464749 /nfs/dbraw/zinc/46/47/49/887464749.db2.gz ZDJITDKRCYJOEW-GIPNMCIBSA-N 1 0 282.319 -0.496 20 30 CBEDRO C=CC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)CCOC ZINC001332910867 887472744 /nfs/dbraw/zinc/47/27/44/887472744.db2.gz ZVEWPBRVQBSTFC-ZDUSSCGKSA-N 1 0 285.388 -0.432 20 30 CBEDRO C=CCn1nnnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001332939452 887481520 /nfs/dbraw/zinc/48/15/20/887481520.db2.gz LNLJOJFIWLRSFN-LBPRGKRZSA-N 1 0 278.360 -0.106 20 30 CBEDRO C#CCSCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001332957651 887486490 /nfs/dbraw/zinc/48/64/90/887486490.db2.gz OFNVOEGXLDKORY-NSHDSACASA-N 1 0 271.386 -0.281 20 30 CBEDRO C[NH+]=C(NC[C@H](O)CN1CCCC1=O)NC1CC1 ZINC001333040751 887507676 /nfs/dbraw/zinc/50/76/76/887507676.db2.gz RXSBLCQQJYDWBE-JTQLQIEISA-N 1 0 254.334 -0.703 20 30 CBEDRO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CSCC#N)C1 ZINC001333037167 887507769 /nfs/dbraw/zinc/50/77/69/887507769.db2.gz VNOYLSSYAXTBSG-UHFFFAOYSA-N 1 0 284.385 -0.432 20 30 CBEDRO C[NH+]=C(NC[C@@H](O)CN1CCCC1=O)NC1CC1 ZINC001333040752 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C#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C)C1 ZINC001333270887 887579589 /nfs/dbraw/zinc/57/95/89/887579589.db2.gz NNTMHRPQBAZKQX-NEPJUHHUSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CCCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001333406601 887625171 /nfs/dbraw/zinc/62/51/71/887625171.db2.gz XCBNFSBPBCTGHI-SNVBAGLBSA-N 1 0 287.310 -0.123 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001333426097 887633583 /nfs/dbraw/zinc/63/35/83/887633583.db2.gz RLJDZUBOEHPWRO-NSHDSACASA-N 1 0 272.370 -0.508 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001333449362 887645872 /nfs/dbraw/zinc/64/58/72/887645872.db2.gz XNEDMZICQPWAHY-HAQNSBGRSA-N 1 0 295.383 -0.231 20 30 CBEDRO CCNC(NCc1nnc2n1CCNC2=O)=[NH+]CC ZINC001333479371 887653731 /nfs/dbraw/zinc/65/37/31/887653731.db2.gz XUPGVKMCYRFGLH-UHFFFAOYSA-N 1 0 265.321 -0.904 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])[C@H](C)COC ZINC001333544615 887687767 /nfs/dbraw/zinc/68/77/67/887687767.db2.gz XCDLUEYQRORTQK-GHMZBOCLSA-N 1 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C[NH2+]Cc1cn(CC(=O)N[C@@](C)(C#N)C2CC2)nn1 ZINC001336878726 888906913 /nfs/dbraw/zinc/90/69/13/888906913.db2.gz ACKGYXNXJKKAKJ-LBPRGKRZSA-N 1 0 262.317 -0.194 20 30 CBEDRO C=CCNC(=O)CNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001336937916 888927938 /nfs/dbraw/zinc/92/79/38/888927938.db2.gz KDSYRPLRLJVKLU-GHMZBOCLSA-N 1 0 268.361 -0.167 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337355596 888997212 /nfs/dbraw/zinc/99/72/12/888997212.db2.gz IEIVHLYJIKVIBF-TXEJJXNPSA-N 1 0 281.356 -0.342 20 30 CBEDRO CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001337540737 889033403 /nfs/dbraw/zinc/03/34/03/889033403.db2.gz WTBNSMASIOCLRO-LBPRGKRZSA-N 1 0 270.308 -0.306 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC001337821415 889082794 /nfs/dbraw/zinc/08/27/94/889082794.db2.gz MZTQRQBSXMBIIT-JZYVYDRUSA-N 1 0 264.310 -0.551 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001338263869 889131063 /nfs/dbraw/zinc/13/10/63/889131063.db2.gz QCNPFVJAVXFKKQ-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCN(CCOC)c1nnc(C2=[NH+]O[C@H](CO)C2)n1C ZINC001338289960 889134707 /nfs/dbraw/zinc/13/47/07/889134707.db2.gz WZKNKRZUHYHHQJ-JTQLQIEISA-N 1 0 295.343 -0.061 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC001338280209 889135974 /nfs/dbraw/zinc/13/59/74/889135974.db2.gz RNNXUIKXFXVKLZ-UHFFFAOYSA-N 1 0 255.318 -0.697 20 30 CBEDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001338326210 889143752 /nfs/dbraw/zinc/14/37/52/889143752.db2.gz AQIHGBDBMXHJLK-JTNHKYCSSA-N 1 0 296.346 -0.188 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC001338485311 889163961 /nfs/dbraw/zinc/16/39/61/889163961.db2.gz ZRPPAMCTDCYKHX-QWHCGFSZSA-N 1 0 255.362 -0.057 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001338661261 889189405 /nfs/dbraw/zinc/18/94/05/889189405.db2.gz YDEMZYDYYJTRLJ-QWRGUYRKSA-N 1 0 252.318 -0.080 20 30 CBEDRO C#CCN(C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001338672804 889189856 /nfs/dbraw/zinc/18/98/56/889189856.db2.gz CDOWPVMTBQPHDT-IJLUTSLNSA-N 1 0 299.396 -0.574 20 30 CBEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC001339226928 889253404 /nfs/dbraw/zinc/25/34/04/889253404.db2.gz XXOLTBUHJXMYBD-QJPTWQEYSA-N 1 0 294.355 -0.677 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001339224396 889253697 /nfs/dbraw/zinc/25/36/97/889253697.db2.gz MUFBJVSBCPBHJJ-SDDRHHMPSA-N 1 0 276.340 -0.574 20 30 CBEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CCO1 ZINC001339226931 889254295 /nfs/dbraw/zinc/25/42/95/889254295.db2.gz XXOLTBUHJXMYBD-TUAOUCFPSA-N 1 0 294.355 -0.677 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC001339872139 889336906 /nfs/dbraw/zinc/33/69/06/889336906.db2.gz YRIAOBZFKRPLJE-LBPRGKRZSA-N 1 0 280.299 -0.096 20 30 CBEDRO C#CC[NH2+]CC(=O)NCCS(=O)(=O)CC1CC1 ZINC001340012183 889367022 /nfs/dbraw/zinc/36/70/22/889367022.db2.gz ORRMEQAAXBXKBE-UHFFFAOYSA-N 1 0 258.343 -0.850 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)NC1CCN(CC(=O)NC)CC1 ZINC001340041935 889369970 /nfs/dbraw/zinc/36/99/70/889369970.db2.gz PQGOHSQHUJDRSB-ZDUSSCGKSA-N 1 0 296.415 -0.003 20 30 CBEDRO C[C@@H](C#N)OCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC001340049805 889374156 /nfs/dbraw/zinc/37/41/56/889374156.db2.gz GNTKQRIZZTZVRC-VIFPVBQESA-N 1 0 261.347 -0.332 20 30 CBEDRO C#CC[C@H]1NC(=O)N(C[C@@H]2CN(C)CCN2C)C1=O ZINC001340146093 889395579 /nfs/dbraw/zinc/39/55/79/889395579.db2.gz MNCYXOHJBMZDGV-WDEREUQCSA-N 1 0 264.329 -0.824 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001340266675 889416865 /nfs/dbraw/zinc/41/68/65/889416865.db2.gz OWQSWDXAPACWNN-HLUHBDAQSA-N 1 0 259.313 -0.258 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C[NH3+])CC(O)C1 ZINC001340386844 889427965 /nfs/dbraw/zinc/42/79/65/889427965.db2.gz SRYSFDAQJCHBDS-URAGZPLESA-N 1 0 254.330 -0.207 20 30 CBEDRO C=CCn1c(C(N)=O)nnc1N1CC[NH+](CC)CC1 ZINC001340376663 889428504 /nfs/dbraw/zinc/42/85/04/889428504.db2.gz XDVHINXUUQZNFY-UHFFFAOYSA-N 1 0 264.333 -0.295 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC(Cn2ccnn2)CC1 ZINC001340432055 889430877 /nfs/dbraw/zinc/43/08/77/889430877.db2.gz RDQTWXXSIBHCLM-UHFFFAOYSA-N 1 0 261.329 -0.261 20 30 CBEDRO C#CC[NH2+]CC(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001340434155 889434592 /nfs/dbraw/zinc/43/45/92/889434592.db2.gz XXUDEQVUCAZQSE-GFCCVEGCSA-N 1 0 251.330 -0.464 20 30 CBEDRO C=CCn1c(-c2nn[nH]n2)nnc1N1CC[NH+](CC)CC1 ZINC001340729583 889474018 /nfs/dbraw/zinc/47/40/18/889474018.db2.gz NXEDFXVRICDXOG-UHFFFAOYSA-N 1 0 289.347 -0.214 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC001340865116 889501541 /nfs/dbraw/zinc/50/15/41/889501541.db2.gz NKYDFHKWOFDWLI-UONOGXRCSA-N 1 0 279.384 -0.031 20 30 CBEDRO C=C(Cl)C[C@H](NC(=O)CNCC[NH3+])C(=O)OCC ZINC001340876511 889503375 /nfs/dbraw/zinc/50/33/75/889503375.db2.gz NJTXOBUAWGADDD-VIFPVBQESA-N 1 0 277.752 -0.275 20 30 CBEDRO C=CCn1cc(CNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)nn1 ZINC001341148430 889550812 /nfs/dbraw/zinc/55/08/12/889550812.db2.gz XICKDLRIAMGGKR-GXSJLCMTSA-N 1 0 267.333 -0.703 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001341407934 889591854 /nfs/dbraw/zinc/59/18/54/889591854.db2.gz CVFOEECQFQUXIH-NXEZZACHSA-N 1 0 255.318 -0.617 20 30 CBEDRO C[C@@]1(C(=O)NCc2nc(C#N)cs2)C[C@H](O)C[NH2+]1 ZINC001341483395 889607455 /nfs/dbraw/zinc/60/74/55/889607455.db2.gz RGORIDWUGNONQJ-KWQFWETISA-N 1 0 266.326 -0.256 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)OC)C[C@H]21 ZINC001341496133 889609607 /nfs/dbraw/zinc/60/96/07/889609607.db2.gz FPBPNAKRVMIEOC-KKOKHZNYSA-N 1 0 264.325 -0.087 20 30 CBEDRO C#CC[NH2+]CC(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC001341553130 889620102 /nfs/dbraw/zinc/62/01/02/889620102.db2.gz RWCXYXWYEKCNNM-JTQLQIEISA-N 1 0 272.370 -0.367 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001341629963 889637119 /nfs/dbraw/zinc/63/71/19/889637119.db2.gz NQPLKVCNWFRXAY-ZDUSSCGKSA-N 1 0 296.415 -0.098 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCNC[C@H]1c1cccnc1 ZINC001341762770 889659964 /nfs/dbraw/zinc/65/99/64/889659964.db2.gz BIEQQTKXLCZGDE-ZDUSSCGKSA-N 1 0 258.325 -0.223 20 30 CBEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)[C@H](O)C[NH2+]C ZINC001341806471 889666075 /nfs/dbraw/zinc/66/60/75/889666075.db2.gz UEYVVOOTBCVCDU-WDEREUQCSA-N 1 0 272.345 -0.220 20 30 CBEDRO NS(=O)(=O)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001341939849 889686288 /nfs/dbraw/zinc/68/62/88/889686288.db2.gz STUWDLJCPBGFAW-LBPRGKRZSA-N 1 0 299.396 -0.874 20 30 CBEDRO CCOC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC001342071012 889708087 /nfs/dbraw/zinc/70/80/87/889708087.db2.gz YGQAAEWHFSOVPA-GHMZBOCLSA-N 1 0 283.328 -0.202 20 30 CBEDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC001342112050 889715302 /nfs/dbraw/zinc/71/53/02/889715302.db2.gz PHUYXDWPMXJLPX-CYZMBNFOSA-N 1 0 267.329 -0.106 20 30 CBEDRO C=CCn1cc(C(=O)N(C)C[C@H](O)C[NH2+]C)nn1 ZINC001342268036 889745534 /nfs/dbraw/zinc/74/55/34/889745534.db2.gz ZEWNOYBDHKWJHP-SECBINFHSA-N 1 0 253.306 -0.884 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1CNC(=O)NC ZINC001342289678 889748002 /nfs/dbraw/zinc/74/80/02/889748002.db2.gz HSRUTXVPHQUPPV-VXGBXAGGSA-N 1 0 298.387 -0.174 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC001342376011 889764913 /nfs/dbraw/zinc/76/49/13/889764913.db2.gz GPNVUHYXEXEVDD-CBAPKCEASA-N 1 0 260.240 -0.620 20 30 CBEDRO C=CCCC[C@@H](NC(=O)CN1CC[NH2+]CC1)C(=O)OC ZINC001342596635 889798044 /nfs/dbraw/zinc/79/80/44/889798044.db2.gz CNEFLAMPIWYFRP-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO Cc1nc(C(=O)N2CCNCC[NH2+]CC2)ccc1C#N ZINC001342622215 889803456 /nfs/dbraw/zinc/80/34/56/889803456.db2.gz LVWLEPCXOGHBJF-UHFFFAOYSA-N 1 0 273.340 -0.103 20 30 CBEDRO COCCNC(=O)[C@H](C#N)C(=O)COC1CC[NH+](C)CC1 ZINC001342705860 889818569 /nfs/dbraw/zinc/81/85/69/889818569.db2.gz ASZFIMQFFWFXDV-GFCCVEGCSA-N 1 0 297.355 -0.431 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCCS(=O)(=O)C[C@H]1C ZINC001342789434 889829338 /nfs/dbraw/zinc/82/93/38/889829338.db2.gz XHENHMFJLIBAPL-SNVBAGLBSA-N 1 0 258.343 -0.755 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001342870087 889838051 /nfs/dbraw/zinc/83/80/51/889838051.db2.gz UFMQFWCDZLXAMG-RISCZKNCSA-N 1 0 294.355 -0.675 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001342870086 889839610 /nfs/dbraw/zinc/83/96/10/889839610.db2.gz UFMQFWCDZLXAMG-FZMZJTMJSA-N 1 0 294.355 -0.675 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC001342987864 889852056 /nfs/dbraw/zinc/85/20/56/889852056.db2.gz DXPCFZYXBFUJBL-JQWIXIFHSA-N 1 0 253.302 -0.494 20 30 CBEDRO C=CCCC(=O)N[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC001343242538 889880047 /nfs/dbraw/zinc/88/00/47/889880047.db2.gz AILVRZYZDPTRPL-OLZOCXBDSA-N 1 0 297.399 -0.019 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC001343298296 889885680 /nfs/dbraw/zinc/88/56/80/889885680.db2.gz GITNKOBEUVFXLK-QWHCGFSZSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC001343298295 889885955 /nfs/dbraw/zinc/88/59/55/889885955.db2.gz GITNKOBEUVFXLK-OLZOCXBDSA-N 1 0 280.368 -0.012 20 30 CBEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1CO ZINC001343490163 889922110 /nfs/dbraw/zinc/92/21/10/889922110.db2.gz MLZCSYFLFCLMHN-NWDGAFQWSA-N 1 0 255.362 -0.195 20 30 CBEDRO CCC(C)(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N ZINC001448822224 913407956 /nfs/dbraw/zinc/40/79/56/913407956.db2.gz IDDBFXWROFQKAA-MNOVXSKESA-N 1 0 298.387 -0.482 20 30 CBEDRO C=CCN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@H](C)COC ZINC001343987813 889986286 /nfs/dbraw/zinc/98/62/86/889986286.db2.gz WYUOCGCEEMBVBG-VXGBXAGGSA-N 1 0 295.383 -0.144 20 30 CBEDRO C#CC[NH2+]CC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001344058143 889996615 /nfs/dbraw/zinc/99/66/15/889996615.db2.gz OGYVTQRGMNARMX-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CN1CCNC(=O)C1 ZINC001344464778 890028925 /nfs/dbraw/zinc/02/89/25/890028925.db2.gz PYRDJDPJQAVNFT-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO C=C(C)C[C@@H](NC(=O)CNCC[NH3+])C(=O)OCC ZINC001344546938 890039860 /nfs/dbraw/zinc/03/98/60/890039860.db2.gz HDXGXKMLYPLUMV-SNVBAGLBSA-N 1 0 257.334 -0.451 20 30 CBEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)C[C@@H]21 ZINC001344945762 890085245 /nfs/dbraw/zinc/08/52/45/890085245.db2.gz CFVHPXYANDNMHZ-SUNKGSAMSA-N 1 0 294.330 -0.387 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001345013426 890091432 /nfs/dbraw/zinc/09/14/32/890091432.db2.gz PUJFLJWYKXPHGZ-CYBMUJFWSA-N 1 0 293.367 -0.599 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001345168047 890105541 /nfs/dbraw/zinc/10/55/41/890105541.db2.gz IVEABQMVBUEYOB-NWDGAFQWSA-N 1 0 281.356 -0.614 20 30 CBEDRO C[C@]1(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCC[NH2+]C1 ZINC001345198306 890111464 /nfs/dbraw/zinc/11/14/64/890111464.db2.gz RBRALEMFXYVCMV-UONOGXRCSA-N 1 0 296.346 -0.044 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC001345360479 890121220 /nfs/dbraw/zinc/12/12/20/890121220.db2.gz 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C[C@H](CNC(=O)Cn1cnnn1)[NH2+]Cc1cccc(C#N)c1 ZINC001441768118 911790683 /nfs/dbraw/zinc/79/06/83/911790683.db2.gz CLFIAIDWRAIDNB-LLVKDONJSA-N 1 0 299.338 -0.161 20 30 CBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001441781047 911797928 /nfs/dbraw/zinc/79/79/28/911797928.db2.gz CHDFCVGHHARWBE-DTWKUNHWSA-N 1 0 295.343 -0.771 20 30 CBEDRO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(=O)N1CCC1 ZINC001441787636 911801456 /nfs/dbraw/zinc/80/14/56/911801456.db2.gz CIJOCKYVDSWXBG-JTQLQIEISA-N 1 0 289.339 -0.173 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001507151863 921692501 /nfs/dbraw/zinc/69/25/01/921692501.db2.gz KPPLQMZWYHSWIM-QWRGUYRKSA-N 1 0 251.330 -0.275 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001441783818 911802297 /nfs/dbraw/zinc/80/22/97/911802297.db2.gz IAMDPIMKBNRWBP-IUCAKERBSA-N 1 0 283.332 -0.914 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001507163079 921693155 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C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC(C)(C)C ZINC001507174789 921709932 /nfs/dbraw/zinc/70/99/32/921709932.db2.gz NLCPDOJHRQJRME-RYUDHWBXSA-N 1 0 297.399 -0.373 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)CNC(=O)OC ZINC001507181828 921719925 /nfs/dbraw/zinc/71/99/25/921719925.db2.gz YPEYNFVFVFJAOH-JTQLQIEISA-N 1 0 273.333 -0.625 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001442762463 912100096 /nfs/dbraw/zinc/10/00/96/912100096.db2.gz YBNMCDLLRWPBCZ-OLZOCXBDSA-N 1 0 295.383 -0.272 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001443040526 912143881 /nfs/dbraw/zinc/14/38/81/912143881.db2.gz BECUDHOUFAGXOK-NSHDSACASA-N 1 0 296.371 -0.823 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001443113424 912161602 /nfs/dbraw/zinc/16/16/02/912161602.db2.gz XSBZGCMFURLGCN-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(CC)n[nH]1 ZINC001507586824 921872706 /nfs/dbraw/zinc/87/27/06/921872706.db2.gz GMPPSWMTFZXQPF-LBPRGKRZSA-N 1 0 278.356 -0.030 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001443310094 912184794 /nfs/dbraw/zinc/18/47/94/912184794.db2.gz LFIJPQCYMBWVAT-NXEZZACHSA-N 1 0 295.343 -0.879 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001443462978 912202471 /nfs/dbraw/zinc/20/24/71/912202471.db2.gz NLWMTTCBHNYHDC-STQMWFEESA-N 1 0 267.373 -0.223 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001463795389 914926285 /nfs/dbraw/zinc/92/62/85/914926285.db2.gz LQHKISXHMQCMSK-UHFFFAOYSA-N 1 0 275.374 -0.792 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001507200148 921735968 /nfs/dbraw/zinc/73/59/68/921735968.db2.gz BPHXGNYCBRPXKV-VIFPVBQESA-N 1 0 288.311 -0.944 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001507201630 921736447 /nfs/dbraw/zinc/73/64/47/921736447.db2.gz IMELKKGMRSIMJU-NWDGAFQWSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001507203813 921740797 /nfs/dbraw/zinc/74/07/97/921740797.db2.gz UJXRJNAJNHKNCC-QWRGUYRKSA-N 1 0 269.345 -0.893 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001507203811 921741665 /nfs/dbraw/zinc/74/16/65/921741665.db2.gz UJXRJNAJNHKNCC-GHMZBOCLSA-N 1 0 269.345 -0.893 20 30 CBEDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC#N ZINC001507210466 921746054 /nfs/dbraw/zinc/74/60/54/921746054.db2.gz AOLJBVYMKNQQKV-STQMWFEESA-N 1 0 282.388 -0.303 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C(=O)Nc1ccccc1 ZINC001507212690 921746973 /nfs/dbraw/zinc/74/69/73/921746973.db2.gz XEPKCLUQVHRCMV-CYBMUJFWSA-N 1 0 289.335 -0.285 20 30 CBEDRO N#CCC1(O)CN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C1 ZINC001467236590 915191541 /nfs/dbraw/zinc/19/15/41/915191541.db2.gz LIQUGLKODPECNB-SNVBAGLBSA-N 1 0 255.293 -0.093 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(=O)oc1C ZINC001507218483 921751944 /nfs/dbraw/zinc/75/19/44/921751944.db2.gz YFFIDNZHYTXSHR-GFCCVEGCSA-N 1 0 292.335 -0.040 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(C)nn(C)c1C ZINC001507219148 921753071 /nfs/dbraw/zinc/75/30/71/921753071.db2.gz AUGJECHDTXENLD-NSHDSACASA-N 1 0 264.329 -0.650 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1coc(OC)n1 ZINC001507222931 921755395 /nfs/dbraw/zinc/75/53/95/921755395.db2.gz ONYZHUFUJLJSTI-SECBINFHSA-N 1 0 267.285 -0.613 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1(C)CCC1 ZINC001507222196 921756283 /nfs/dbraw/zinc/75/62/83/921756283.db2.gz NGGWQGBQSKPVOL-VXGBXAGGSA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)C=CCC1 ZINC001507223976 921756570 /nfs/dbraw/zinc/75/65/70/921756570.db2.gz AVZZZNNWRBWZEQ-IUODEOHRSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)CC ZINC001507223078 921757130 /nfs/dbraw/zinc/75/71/30/921757130.db2.gz VFUVWAXKANMZSS-LLVKDONJSA-N 1 0 285.388 -0.256 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)nn(C)c1C ZINC001507223221 921757734 /nfs/dbraw/zinc/75/77/34/921757734.db2.gz QWNNVCGAFRXRIX-CYBMUJFWSA-N 1 0 292.383 -0.331 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001507361598 921812291 /nfs/dbraw/zinc/81/22/91/921812291.db2.gz MSEIRDXFDFFSEQ-QJPTWQEYSA-N 1 0 263.341 -0.288 20 30 CBEDRO Cc1nnc(CNC(=O)NCC#CC[NH+](C)C)n1C ZINC001468365107 915293407 /nfs/dbraw/zinc/29/34/07/915293407.db2.gz KJKABECNJUMSSO-UHFFFAOYSA-N 1 0 264.333 -0.512 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)Cn2ccnn2)CC1 ZINC001468818421 915331175 /nfs/dbraw/zinc/33/11/75/915331175.db2.gz BGFNXIIXAWUSSC-ZDUSSCGKSA-N 1 0 291.355 -0.900 20 30 CBEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1c[nH]c(=O)cn1 ZINC001507229644 921764103 /nfs/dbraw/zinc/76/41/03/921764103.db2.gz PITZWFUIUPCRFJ-WDEREUQCSA-N 1 0 294.355 -0.195 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ocnc1CC ZINC001507234372 921767324 /nfs/dbraw/zinc/76/73/24/921767324.db2.gz VVXOPEYYELWDTO-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001507234080 921768084 /nfs/dbraw/zinc/76/80/84/921768084.db2.gz WBIKYWJBTOYURO-GRYCIOLGSA-N 1 0 283.372 -0.469 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1nn(C)c(C)c1Cl ZINC001507236204 921768161 /nfs/dbraw/zinc/76/81/61/921768161.db2.gz JDFNQWKDVRUZOP-VIFPVBQESA-N 1 0 284.747 -0.305 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCc1ccc(C(N)=O)nc1 ZINC001469328910 915398286 /nfs/dbraw/zinc/39/82/86/915398286.db2.gz GOHXNSZHVOJPMA-UHFFFAOYSA-N 1 0 289.339 -0.455 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NCCn1cnc(C#N)n1 ZINC001470105748 915446038 /nfs/dbraw/zinc/44/60/38/915446038.db2.gz ZARPBKMAGYELKB-UHFFFAOYSA-N 1 0 289.343 -0.596 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NC[C@@H]1CCCS1(=O)=O ZINC001470169090 915456512 /nfs/dbraw/zinc/45/65/12/915456512.db2.gz MKWXNDCOKNSLQW-NSHDSACASA-N 1 0 287.385 -0.572 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001507236316 921772930 /nfs/dbraw/zinc/77/29/30/921772930.db2.gz KWGZYUUSKASFQW-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc2ncccn2n1 ZINC001507241742 921776311 /nfs/dbraw/zinc/77/63/11/921776311.db2.gz DCDPYCFLYQOJOD-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001507241342 921777486 /nfs/dbraw/zinc/77/74/86/921777486.db2.gz DPUUPYKJOFQOHO-WDEREUQCSA-N 1 0 269.345 -0.702 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)C1=C2CCCN=C2NN1 ZINC001471037180 915548071 /nfs/dbraw/zinc/54/80/71/915548071.db2.gz UKEDEXCGALKJLD-UHFFFAOYSA-N 1 0 261.329 -0.778 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001471183804 915563245 /nfs/dbraw/zinc/56/32/45/915563245.db2.gz NCDOVWNKKDSJFY-ZDUSSCGKSA-N 1 0 292.383 -0.139 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccnnc1 ZINC001507245051 921781120 /nfs/dbraw/zinc/78/11/20/921781120.db2.gz VXDSOSQOPSPGPA-NSHDSACASA-N 1 0 250.302 -0.267 20 30 CBEDRO CNC(=O)CCN(C)C(=O)NCC#CC[NH+](C)C ZINC001471630048 915603128 /nfs/dbraw/zinc/60/31/28/915603128.db2.gz PXMIAPQQBCOOFV-UHFFFAOYSA-N 1 0 254.334 -0.671 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001507255035 921788528 /nfs/dbraw/zinc/78/85/28/921788528.db2.gz YBJGXWHAGKDOAO-NSHDSACASA-N 1 0 279.340 -0.358 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)Cn1ccnc1C ZINC001507261661 921790329 /nfs/dbraw/zinc/79/03/29/921790329.db2.gz SYQLBCPIGRHXTM-LBPRGKRZSA-N 1 0 266.345 -0.166 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001507261660 921793318 /nfs/dbraw/zinc/79/33/18/921793318.db2.gz SYQLBCPIGRHXTM-GFCCVEGCSA-N 1 0 266.345 -0.166 20 30 CBEDRO C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(C)(C)F ZINC001507269686 921795932 /nfs/dbraw/zinc/79/59/32/921795932.db2.gz ODPWBCCNGKCQTR-NXEZZACHSA-N 1 0 284.335 -0.047 20 30 CBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccc[nH]1 ZINC001507267798 921796646 /nfs/dbraw/zinc/79/66/46/921796646.db2.gz CJBXLEMBYDFQHU-MNOVXSKESA-N 1 0 289.339 -0.153 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC001507273683 921798845 /nfs/dbraw/zinc/79/88/45/921798845.db2.gz QARXZRWBZQROSU-MNOVXSKESA-N 1 0 290.323 -0.383 20 30 CBEDRO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1ccon1 ZINC001507274985 921799432 /nfs/dbraw/zinc/79/94/32/921799432.db2.gz WPRBJDYGMGETDE-ZJUUUORDSA-N 1 0 291.311 -0.493 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOCC)[C@H]1C ZINC001507273884 921800364 /nfs/dbraw/zinc/80/03/64/921800364.db2.gz NBLBJDCWWVSLPS-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO N#CC[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001473851401 915868984 /nfs/dbraw/zinc/86/89/84/915868984.db2.gz GKGZFTPGBRDKEO-MNOVXSKESA-N 1 0 267.329 -0.776 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC)C1 ZINC001507296948 921803288 /nfs/dbraw/zinc/80/32/88/921803288.db2.gz AAILJIACSSTUGU-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001507295532 921803547 /nfs/dbraw/zinc/80/35/47/921803547.db2.gz CCGCDPSAURLYGM-WDEREUQCSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCOCC2)C1 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/nfs/dbraw/zinc/05/32/59/917053259.db2.gz DGBHDIZOVZHGFK-VHSXEESVSA-N 1 0 253.302 -0.540 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001482110770 917055173 /nfs/dbraw/zinc/05/51/73/917055173.db2.gz VOVYLNVHZFAWSA-LLVKDONJSA-N 1 0 276.340 -0.241 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001482137427 917063891 /nfs/dbraw/zinc/06/38/91/917063891.db2.gz CYSCPFCJEMDZOC-SNVBAGLBSA-N 1 0 251.330 -0.383 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001482171513 917075340 /nfs/dbraw/zinc/07/53/40/917075340.db2.gz XLEDJEOCZVMTHW-WDEREUQCSA-N 1 0 287.385 -0.957 20 30 CBEDRO C#CCN1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001482203769 917089701 /nfs/dbraw/zinc/08/97/01/917089701.db2.gz VQAPJBPUOUXQEW-OLZOCXBDSA-N 1 0 267.373 -0.223 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001482244390 917095447 /nfs/dbraw/zinc/09/54/47/917095447.db2.gz UGKCCMVWULKQGG-CYBMUJFWSA-N 1 0 280.368 -0.059 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCOC ZINC001482248731 917096359 /nfs/dbraw/zinc/09/63/59/917096359.db2.gz VHSGWWTXGJEPCA-NEPJUHHUSA-N 1 0 283.372 -0.403 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001482253786 917099685 /nfs/dbraw/zinc/09/96/85/917099685.db2.gz MLHWRXWRIHYBHB-QWRGUYRKSA-N 1 0 298.387 -0.750 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001482253784 917101785 /nfs/dbraw/zinc/10/17/85/917101785.db2.gz MLHWRXWRIHYBHB-MNOVXSKESA-N 1 0 298.387 -0.750 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CSCC#N ZINC001482257470 917102024 /nfs/dbraw/zinc/10/20/24/917102024.db2.gz OXIXLABAKSJITP-SNVBAGLBSA-N 1 0 298.412 -0.042 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccnn1C ZINC001482259109 917103324 /nfs/dbraw/zinc/10/33/24/917103324.db2.gz JFDYMRUZUWYCGE-JTQLQIEISA-N 1 0 292.343 -0.890 20 30 CBEDRO CO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482259555 917105693 /nfs/dbraw/zinc/10/56/93/917105693.db2.gz LJCSZKMKKQCLOX-NXEZZACHSA-N 1 0 270.333 -0.902 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CCOC1 ZINC001482264252 917105840 /nfs/dbraw/zinc/10/58/40/917105840.db2.gz DBPWZNNPZRBKGZ-OLZOCXBDSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC(=O)NCC ZINC001482273865 917108521 /nfs/dbraw/zinc/10/85/21/917108521.db2.gz QELPUSJNXJCVFR-NSHDSACASA-N 1 0 253.346 -0.028 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CCOC1 ZINC001482267080 917109531 /nfs/dbraw/zinc/10/95/31/917109531.db2.gz VWRZYRJBRDARGB-NEPJUHHUSA-N 1 0 296.371 -0.511 20 30 CBEDRO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001482269422 917110758 /nfs/dbraw/zinc/11/07/58/917110758.db2.gz PZBLQGDNPSTXNL-SECBINFHSA-N 1 0 277.328 -0.318 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1ccon1 ZINC001482267560 917110825 /nfs/dbraw/zinc/11/08/25/917110825.db2.gz XPTRIDCNXPMYFC-NSHDSACASA-N 1 0 292.339 -0.597 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCNC(=O)NC ZINC001482279272 917112603 /nfs/dbraw/zinc/11/26/03/917112603.db2.gz BCUXBHYVXRHHCT-SNVBAGLBSA-N 1 0 256.350 -0.072 20 30 CBEDRO C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)C#CC1CC1 ZINC001482280905 917114619 /nfs/dbraw/zinc/11/46/19/917114619.db2.gz KMUZMWRSCGWNSK-LLVKDONJSA-N 1 0 286.397 -0.119 20 30 CBEDRO C[C@@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)C#CC1CC1 ZINC001482280909 917114859 /nfs/dbraw/zinc/11/48/59/917114859.db2.gz KMUZMWRSCGWNSK-NSHDSACASA-N 1 0 286.397 -0.119 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001482316929 917120328 /nfs/dbraw/zinc/12/03/28/917120328.db2.gz MOTGGAHLEUDKSR-VXGBXAGGSA-N 1 0 298.387 -0.351 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cn[nH]n1 ZINC001482303501 917122016 /nfs/dbraw/zinc/12/20/16/917122016.db2.gz DBPUGJHYEOTBSZ-SECBINFHSA-N 1 0 280.332 -0.843 20 30 CBEDRO COCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482308040 917123336 /nfs/dbraw/zinc/12/33/36/917123336.db2.gz DENZHZMJDOHIIB-NSHDSACASA-N 1 0 298.387 -0.265 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482317887 917127869 /nfs/dbraw/zinc/12/78/69/917127869.db2.gz SOOOSAQJFGZZHE-RYUDHWBXSA-N 1 0 296.371 -0.904 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001482342067 917131232 /nfs/dbraw/zinc/13/12/32/917131232.db2.gz CYHROJDGHKTJOR-SNVBAGLBSA-N 1 0 265.317 -0.495 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C ZINC001482425864 917147913 /nfs/dbraw/zinc/14/79/13/917147913.db2.gz XUYLHRZWWWTXRJ-STQMWFEESA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)COC)C[C@@H]1C ZINC001482425862 917148002 /nfs/dbraw/zinc/14/80/02/917148002.db2.gz XUYLHRZWWWTXRJ-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO CC(C)[C@H](CNC(=O)CSCC#N)[NH2+]CC(N)=O ZINC001482518826 917154666 /nfs/dbraw/zinc/15/46/66/917154666.db2.gz SBSOFTOPESIYSM-VIFPVBQESA-N 1 0 272.374 -0.541 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC(=O)N1C)C(C)C ZINC001482551051 917157558 /nfs/dbraw/zinc/15/75/58/917157558.db2.gz WGNWFLNEYSIRMD-VXGBXAGGSA-N 1 0 265.357 -0.029 20 30 CBEDRO C=CCC[NH2+][C@H](CNC(=O)Cn1ncn(C)c1=O)C(C)C ZINC001482537348 917159851 /nfs/dbraw/zinc/15/98/51/917159851.db2.gz BQZADMHCEWXGQO-GFCCVEGCSA-N 1 0 295.387 -0.112 20 30 CBEDRO C=CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482585445 917166984 /nfs/dbraw/zinc/16/69/84/917166984.db2.gz TXQFXJXXIVGXMW-CYBMUJFWSA-N 1 0 296.415 -0.227 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001482621036 917187244 /nfs/dbraw/zinc/18/72/44/917187244.db2.gz BKCYQLANGAELAJ-GFCCVEGCSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1nc2ncccn2n1 ZINC001482636484 917190242 /nfs/dbraw/zinc/19/02/42/917190242.db2.gz XOMWJZWKUSRECF-UHFFFAOYSA-N 1 0 272.312 -0.239 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001482648561 917196489 /nfs/dbraw/zinc/19/64/89/917196489.db2.gz NKIPYOPWDBJWLR-UHFFFAOYSA-N 1 0 278.312 -0.877 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)C)C1=O ZINC001482710129 917208595 /nfs/dbraw/zinc/20/85/95/917208595.db2.gz ZJTKBJLDVAHTEK-NWDGAFQWSA-N 1 0 283.372 -0.504 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001482710779 917211971 /nfs/dbraw/zinc/21/19/71/917211971.db2.gz GBCVOERSMFJIDY-VXGBXAGGSA-N 1 0 254.330 -0.355 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001482710777 917213314 /nfs/dbraw/zinc/21/33/14/917213314.db2.gz GBCVOERSMFJIDY-NWDGAFQWSA-N 1 0 254.330 -0.355 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001482713733 917216763 /nfs/dbraw/zinc/21/67/63/917216763.db2.gz ABZAEYSSYYVNIP-LLVKDONJSA-N 1 0 252.318 -0.405 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)CC1CC1 ZINC001482715470 917223687 /nfs/dbraw/zinc/22/36/87/917223687.db2.gz HIPSDNUJSBWDCW-PWSUYJOCSA-N 1 0 296.371 -0.919 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC1(C)C ZINC001482722174 917228437 /nfs/dbraw/zinc/22/84/37/917228437.db2.gz KLJGDBAJVDXXSJ-GHMZBOCLSA-N 1 0 283.372 -0.599 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001482725396 917232689 /nfs/dbraw/zinc/23/26/89/917232689.db2.gz IUEXYJLIJOSEFY-TZMCWYRMSA-N 1 0 296.371 -0.686 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001482725395 917232816 /nfs/dbraw/zinc/23/28/16/917232816.db2.gz IUEXYJLIJOSEFY-OCCSQVGLSA-N 1 0 296.371 -0.686 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001482727558 917234541 /nfs/dbraw/zinc/23/45/41/917234541.db2.gz BMTSNUKUXDZLTJ-CYBMUJFWSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726204 917236141 /nfs/dbraw/zinc/23/61/41/917236141.db2.gz QPFDUKGPZLTHPM-LBPRGKRZSA-N 1 0 262.313 -0.511 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726203 917236239 /nfs/dbraw/zinc/23/62/39/917236239.db2.gz QPFDUKGPZLTHPM-GFCCVEGCSA-N 1 0 262.313 -0.511 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnnn1CC ZINC001482726989 917236311 /nfs/dbraw/zinc/23/63/11/917236311.db2.gz IPGLNAQTFWWZFH-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C(C)C ZINC001482735368 917242222 /nfs/dbraw/zinc/24/22/22/917242222.db2.gz WVHFHVVUGZEDSJ-LBPRGKRZSA-N 1 0 297.399 -0.515 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482736121 917243860 /nfs/dbraw/zinc/24/38/60/917243860.db2.gz RHDYQWROMHXOHE-VIFPVBQESA-N 1 0 288.311 -0.944 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001482733628 917244063 /nfs/dbraw/zinc/24/40/63/917244063.db2.gz MSXVAZXOSSSYPD-AAEUAGOBSA-N 1 0 278.356 -0.472 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1CC ZINC001482744882 917246115 /nfs/dbraw/zinc/24/61/15/917246115.db2.gz DZRWERJYQDVJNF-SECBINFHSA-N 1 0 250.302 -0.714 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001482744342 917248524 /nfs/dbraw/zinc/24/85/24/917248524.db2.gz SXUFDTTVOMVZQF-GHMZBOCLSA-N 1 0 269.345 -0.893 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001482743953 917248698 /nfs/dbraw/zinc/24/86/98/917248698.db2.gz MRRVWNJTRPMXDW-OLZOCXBDSA-N 1 0 290.367 -0.465 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482752773 917250213 /nfs/dbraw/zinc/25/02/13/917250213.db2.gz NKUVURTZZXHUDY-ZDEQEGDKSA-N 1 0 284.356 -0.709 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001482752614 917250485 /nfs/dbraw/zinc/25/04/85/917250485.db2.gz AYTGDFBPNZGTDK-GHMZBOCLSA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482752772 917251457 /nfs/dbraw/zinc/25/14/57/917251457.db2.gz NKUVURTZZXHUDY-QNWHQSFQSA-N 1 0 284.356 -0.709 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ccn(C(C)C)n1 ZINC001482753345 917252473 /nfs/dbraw/zinc/25/24/73/917252473.db2.gz STRHDCWLHAKSEP-CYBMUJFWSA-N 1 0 278.356 -0.294 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccn(C(C)C)n1 ZINC001482753347 917252715 /nfs/dbraw/zinc/25/27/15/917252715.db2.gz STRHDCWLHAKSEP-ZDUSSCGKSA-N 1 0 278.356 -0.294 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482756699 917255226 /nfs/dbraw/zinc/25/52/26/917255226.db2.gz UKYHRTXVFVURDV-LBPRGKRZSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC)CCC1 ZINC001482763797 917258646 /nfs/dbraw/zinc/25/86/46/917258646.db2.gz BJSHYMNBRWTRKC-VXGBXAGGSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)nc[nH]c1=O ZINC001482761100 917259452 /nfs/dbraw/zinc/25/94/52/917259452.db2.gz SIHPIANSYGNRPZ-JTQLQIEISA-N 1 0 280.328 -0.253 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001482759897 917259944 /nfs/dbraw/zinc/25/99/44/917259944.db2.gz DGNKGEXFJQZRAF-MNOVXSKESA-N 1 0 269.345 -0.893 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c1C ZINC001482767213 917264228 /nfs/dbraw/zinc/26/42/28/917264228.db2.gz RBFLTCWZLWTYHI-ZDUSSCGKSA-N 1 0 293.367 -0.336 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nc(CC)oc1C ZINC001482775068 917270713 /nfs/dbraw/zinc/27/07/13/917270713.db2.gz KEFLXFUIHMPWMQ-JTQLQIEISA-N 1 0 265.313 -0.141 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001482776296 917271121 /nfs/dbraw/zinc/27/11/21/917271121.db2.gz VQSXLSCZIPPDSE-AGIUHOORSA-N 1 0 286.372 -0.583 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1(C)CCOCC1 ZINC001482777891 917271338 /nfs/dbraw/zinc/27/13/38/917271338.db2.gz HCVDWSDOESUTGL-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C1(C(=O)NC)CC1 ZINC001482774774 917273023 /nfs/dbraw/zinc/27/30/23/917273023.db2.gz GKSIACYAAVDEDG-SNVBAGLBSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nc(CC)oc1C ZINC001482775070 917273054 /nfs/dbraw/zinc/27/30/54/917273054.db2.gz KEFLXFUIHMPWMQ-SNVBAGLBSA-N 1 0 265.313 -0.141 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C(C)C)c1C ZINC001482781092 917278787 /nfs/dbraw/zinc/27/87/87/917278787.db2.gz MKNOLNZQWGQVPI-GFCCVEGCSA-N 1 0 293.371 -0.129 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ncccc1F ZINC001482781009 917278810 /nfs/dbraw/zinc/27/88/10/917278810.db2.gz FPFTWBLYWGSIGT-NSHDSACASA-N 1 0 295.314 -0.449 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001482780463 917280078 /nfs/dbraw/zinc/28/00/78/917280078.db2.gz AVPGVGURTRMCDC-TZMCWYRMSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001482782463 917280603 /nfs/dbraw/zinc/28/06/03/917280603.db2.gz PSEZJYPSFHBLFO-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Oc1ccccn1 ZINC001482788498 917282904 /nfs/dbraw/zinc/28/29/04/917282904.db2.gz ZNAGVZOGSPJINM-QWHCGFSZSA-N 1 0 291.351 -0.061 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482786930 917284667 /nfs/dbraw/zinc/28/46/67/917284667.db2.gz CJVVENBPCXJMAU-IUCAKERBSA-N 1 0 275.736 -0.916 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)N1CCCC1=O ZINC001482796890 917285443 /nfs/dbraw/zinc/28/54/43/917285443.db2.gz GGBUBLUWWLQKAI-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)nn2cccnc12 ZINC001482794454 917286983 /nfs/dbraw/zinc/28/69/83/917286983.db2.gz XCFHXSMURGFVPA-LLVKDONJSA-N 1 0 289.339 -0.096 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001482791341 917287205 /nfs/dbraw/zinc/28/72/05/917287205.db2.gz RVCHWZHBWNTHFR-JTQLQIEISA-N 1 0 250.302 -0.876 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(=O)NC)c1 ZINC001482796745 917287826 /nfs/dbraw/zinc/28/78/26/917287826.db2.gz CMWKDSWUJCZUMM-ZDUSSCGKSA-N 1 0 289.335 -0.640 20 30 CBEDRO C=C[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c1ccccc1 ZINC001482796805 917288376 /nfs/dbraw/zinc/28/83/76/917288376.db2.gz DRHSFNIFCLPPHY-OLZOCXBDSA-N 1 0 291.351 -0.492 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001482795115 917288536 /nfs/dbraw/zinc/28/85/36/917288536.db2.gz QDHABEGTKNKZLA-LBPRGKRZSA-N 1 0 279.340 -0.509 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(OCC)cn1 ZINC001482798577 917290060 /nfs/dbraw/zinc/29/00/60/917290060.db2.gz FIEDMWDXGQRPOY-NSHDSACASA-N 1 0 292.339 -0.421 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482799088 917290205 /nfs/dbraw/zinc/29/02/05/917290205.db2.gz MRQCJJATJCRFRH-CYBMUJFWSA-N 1 0 278.356 -0.557 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001482801336 917291879 /nfs/dbraw/zinc/29/18/79/917291879.db2.gz ITPPWFJEHRSLPB-CHWSQXEVSA-N 1 0 281.356 -0.913 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1nonc1C ZINC001482798999 917292765 /nfs/dbraw/zinc/29/27/65/917292765.db2.gz JZSAMYXCTBRAEA-QMMMGPOBSA-N 1 0 274.708 -0.189 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001482811828 917299174 /nfs/dbraw/zinc/29/91/74/917299174.db2.gz CNSOELPBOXFQAO-NWDGAFQWSA-N 1 0 254.330 -0.091 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001482822139 917302361 /nfs/dbraw/zinc/30/23/61/917302361.db2.gz XVWMEYXBQXHIQD-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO CC(C)C#CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482829911 917305160 /nfs/dbraw/zinc/30/51/60/917305160.db2.gz ICTBTBUQAHXZOR-VXGBXAGGSA-N 1 0 293.367 -0.065 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001482831361 917305650 /nfs/dbraw/zinc/30/56/50/917305650.db2.gz KZCAXITVULDPAA-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001482831719 917307244 /nfs/dbraw/zinc/30/72/44/917307244.db2.gz PTEBOCFHOAOJAP-ZJUUUORDSA-N 1 0 294.355 -0.532 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001482860984 917314559 /nfs/dbraw/zinc/31/45/59/917314559.db2.gz QNNJFPXFXCZEOS-JTQLQIEISA-N 1 0 272.312 -0.145 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cncn1C ZINC001482849148 917314974 /nfs/dbraw/zinc/31/49/74/917314974.db2.gz BNGDBGZASYDKMF-JTQLQIEISA-N 1 0 292.343 -0.842 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)nn1 ZINC001482878733 917320210 /nfs/dbraw/zinc/32/02/10/917320210.db2.gz RTZQAYWADXMIHC-VIFPVBQESA-N 1 0 280.332 -0.953 20 30 CBEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)COCc1nncn1C ZINC001482882761 917321362 /nfs/dbraw/zinc/32/13/62/917321362.db2.gz LLEUGACGFKVSBR-LBPRGKRZSA-N 1 0 293.371 -0.161 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)Cc1nc2ncccn2n1 ZINC001482899474 917324980 /nfs/dbraw/zinc/32/49/80/917324980.db2.gz PYOJNFJVRNGWRB-LLVKDONJSA-N 1 0 286.339 -0.216 20 30 CBEDRO CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@H](C)C#N ZINC001482914253 917335129 /nfs/dbraw/zinc/33/51/29/917335129.db2.gz KFTYLSDGWUPZPI-LLVKDONJSA-N 1 0 266.345 -0.184 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCOC1 ZINC001482912576 917335265 /nfs/dbraw/zinc/33/52/65/917335265.db2.gz KBBNJMNYWJEPNH-LLVKDONJSA-N 1 0 282.344 -0.899 20 30 CBEDRO C#CCOCCC(=O)N(CC)CC[NH2+][C@H]1CCCNC1=O ZINC001482923772 917336169 /nfs/dbraw/zinc/33/61/69/917336169.db2.gz FJYWZNMAUKVPQQ-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1cn(CCOC)nn1 ZINC001482924251 917336556 /nfs/dbraw/zinc/33/65/56/917336556.db2.gz NKTRAFFGLXLVSY-UHFFFAOYSA-N 1 0 279.344 -0.391 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N(CC)CC[NH2+]CC(N)=O ZINC001482921953 917336848 /nfs/dbraw/zinc/33/68/48/917336848.db2.gz ULXOJJAHHIEGKM-LBPRGKRZSA-N 1 0 257.334 -0.763 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O ZINC001482923730 917339693 /nfs/dbraw/zinc/33/96/93/917339693.db2.gz DDRIMRPVPSDLGV-GHMZBOCLSA-N 1 0 269.345 -0.663 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)CCn1ncn(C)c1=O ZINC001482941437 917341099 /nfs/dbraw/zinc/34/10/99/917341099.db2.gz GHUNBRGLJONVBV-UHFFFAOYSA-N 1 0 295.387 -0.014 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001482936560 917341175 /nfs/dbraw/zinc/34/11/75/917341175.db2.gz DQBNOLSSNJGXNL-UHFFFAOYSA-N 1 0 278.312 -0.980 20 30 CBEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001482929813 917341836 /nfs/dbraw/zinc/34/18/36/917341836.db2.gz KZSOEWXKTYYLRH-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CN1CCCS1(=O)=O ZINC001482927930 917342212 /nfs/dbraw/zinc/34/22/12/917342212.db2.gz PPGOSBRUBKGGDM-UHFFFAOYSA-N 1 0 289.401 -0.354 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)C[C@@H]1CCNC1=O ZINC001482930041 917343863 /nfs/dbraw/zinc/34/38/63/917343863.db2.gz BSWPNRXNTXNXLA-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cnco1 ZINC001482940903 917343892 /nfs/dbraw/zinc/34/38/92/917343892.db2.gz KMWLSBYRFRXEIC-UHFFFAOYSA-N 1 0 279.300 -0.634 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)COC ZINC001482972727 917350067 /nfs/dbraw/zinc/35/00/67/917350067.db2.gz ZRVOAAFDBHLMOP-GZTOBOFZSA-N 1 0 267.329 -0.967 20 30 CBEDRO CN1CC[C@H]([NH2+]C/C=C\CNC(=O)CSCC#N)C1=O ZINC001482979671 917354862 /nfs/dbraw/zinc/35/48/62/917354862.db2.gz FGEGNYJPYPDLMC-QUCGXOGASA-N 1 0 296.396 -0.264 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001482981664 917355906 /nfs/dbraw/zinc/35/59/06/917355906.db2.gz SRPZOSOVVGTALY-ITKZLYELSA-N 1 0 252.314 -0.313 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cnccn1 ZINC001482978366 917356623 /nfs/dbraw/zinc/35/66/23/917356623.db2.gz KNFNONOUIWKAAR-ONEGZZNKSA-N 1 0 289.339 -0.346 20 30 CBEDRO CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)CSCC#N)C1=O ZINC001482979670 917357044 /nfs/dbraw/zinc/35/70/44/917357044.db2.gz FGEGNYJPYPDLMC-OTDNITJGSA-N 1 0 296.396 -0.264 20 30 CBEDRO COC[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H](C)C#N ZINC001482990759 917365111 /nfs/dbraw/zinc/36/51/11/917365111.db2.gz HIFCSHMBGFIEHO-ANDSXOESSA-N 1 0 255.318 -0.585 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001483003672 917370372 /nfs/dbraw/zinc/37/03/72/917370372.db2.gz OWIKRZGDZUIKPT-ZYSUWKAZSA-N 1 0 295.383 -0.146 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]C[C@@H](C)O ZINC001483002303 917370759 /nfs/dbraw/zinc/37/07/59/917370759.db2.gz JEUWBEZIVXTNJT-ANCZFUFASA-N 1 0 256.346 -0.044 20 30 CBEDRO CS(=O)(=O)NCC[NH2+]C/C=C\CNC(=O)C#CC1CC1 ZINC001483008497 917371451 /nfs/dbraw/zinc/37/14/51/917371451.db2.gz XGSYOSXAWUVXTI-IHWYPQMZSA-N 1 0 299.396 -0.789 20 30 CBEDRO 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C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001485776554 918186166 /nfs/dbraw/zinc/18/61/66/918186166.db2.gz HGRXGBPEINAIRX-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCNC1=O ZINC001485773016 918186622 /nfs/dbraw/zinc/18/66/22/918186622.db2.gz SZJWTLGDENHIFJ-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)c1coc(OC)n1 ZINC001485774331 918188116 /nfs/dbraw/zinc/18/81/16/918188116.db2.gz IHASTLNZUOIJKF-UHFFFAOYSA-N 1 0 281.312 -0.005 20 30 CBEDRO C=CC[N@@H+](C)CCOCCNC(=O)c1nnn(C)n1 ZINC001485775149 918188164 /nfs/dbraw/zinc/18/81/64/918188164.db2.gz XJPBEGVDKASGCA-UHFFFAOYSA-N 1 0 268.321 -0.926 20 30 CBEDRO C#CCC[N@H+](C)CCOCCNC(=O)c1cn[nH]c(=O)c1 ZINC001485771942 918188561 /nfs/dbraw/zinc/18/85/61/918188561.db2.gz HZOVEQHCYGBQSC-UHFFFAOYSA-N 1 0 292.339 -0.116 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1cnc[nH]c1=O ZINC001485795077 918190081 /nfs/dbraw/zinc/19/00/81/918190081.db2.gz WWCGUWZURDGMJH-UHFFFAOYSA-N 1 0 292.339 -0.068 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC ZINC001485795653 918190386 /nfs/dbraw/zinc/19/03/86/918190386.db2.gz HLSMNOAILBXRJZ-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)c1ccn(C)c(=O)c1 ZINC001485794856 918192266 /nfs/dbraw/zinc/19/22/66/918192266.db2.gz UJSPBQZTSCUPKB-UHFFFAOYSA-N 1 0 291.351 -0.255 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCNC1=O ZINC001485819382 918194029 /nfs/dbraw/zinc/19/40/29/918194029.db2.gz GFAZUJMNWGGRTL-RYUDHWBXSA-N 1 0 263.341 -0.418 20 30 CBEDRO C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001485811604 918196831 /nfs/dbraw/zinc/19/68/31/918196831.db2.gz PHSITQBAOUVZLV-JQWIXIFHSA-N 1 0 280.372 -0.107 20 30 CBEDRO C[C@H](CN(C)C(=O)[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001485843704 918202556 /nfs/dbraw/zinc/20/25/56/918202556.db2.gz XLULNDDTTZONEJ-MNOVXSKESA-N 1 0 282.344 -0.758 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)COC(C)C ZINC001485856338 918208660 /nfs/dbraw/zinc/20/86/60/918208660.db2.gz VLTFAVCREOBSTM-QWHCGFSZSA-N 1 0 297.399 -0.014 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001485855255 918209718 /nfs/dbraw/zinc/20/97/18/918209718.db2.gz KPPLQMZWYHSWIM-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001485860468 918211859 /nfs/dbraw/zinc/21/18/59/918211859.db2.gz AYHHTKSDKPSPFC-NWDGAFQWSA-N 1 0 255.362 -0.061 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cncnc1 ZINC001485864561 918213532 /nfs/dbraw/zinc/21/35/32/918213532.db2.gz GMDRZPLHJNKNTQ-LLVKDONJSA-N 1 0 291.355 -0.171 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCNC1=O ZINC001485885713 918215857 /nfs/dbraw/zinc/21/58/57/918215857.db2.gz PKZCHOKZHRZKSB-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC(OC)C1 ZINC001485888384 918216498 /nfs/dbraw/zinc/21/64/98/918216498.db2.gz MSSVHQOBJHGRNR-PNESKVBLSA-N 1 0 295.383 -0.403 20 30 CBEDRO COC1CC(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001485888039 918217657 /nfs/dbraw/zinc/21/76/57/918217657.db2.gz KUIFAFUWPOECCF-UNXYVOJBSA-N 1 0 296.371 -0.512 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001485894781 918221750 /nfs/dbraw/zinc/22/17/50/918221750.db2.gz VMCJMHJQKKYRFW-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001485915299 918226027 /nfs/dbraw/zinc/22/60/27/918226027.db2.gz VUWCCNLSEHIQJD-RYUDHWBXSA-N 1 0 289.383 -0.010 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001485916225 918226708 /nfs/dbraw/zinc/22/67/08/918226708.db2.gz MEUTXKNQIBKFGO-JTQLQIEISA-N 1 0 262.313 -0.157 20 30 CBEDRO C[C@H](CN(C)C(=O)Cc1cnoc1)[NH2+]CC(=O)NCC#N ZINC001485914329 918227569 /nfs/dbraw/zinc/22/75/69/918227569.db2.gz YEIDYLQFNAEAAL-SNVBAGLBSA-N 1 0 293.327 -0.707 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001485915300 918228000 /nfs/dbraw/zinc/22/80/00/918228000.db2.gz VUWCCNLSEHIQJD-VXGBXAGGSA-N 1 0 289.383 -0.010 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485921911 918229411 /nfs/dbraw/zinc/22/94/11/918229411.db2.gz DTWXKROHRDKHSP-TUAOUCFPSA-N 1 0 281.356 -0.806 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CCc1cn[nH]n1 ZINC001485923396 918229748 /nfs/dbraw/zinc/22/97/48/918229748.db2.gz DTBZZESEKNCSJS-LBPRGKRZSA-N 1 0 293.371 -0.176 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001485928612 918232662 /nfs/dbraw/zinc/23/26/62/918232662.db2.gz XSKRSZQAZRMXII-QWRGUYRKSA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1nnnc1C(C)C ZINC001485931384 918235843 /nfs/dbraw/zinc/23/58/43/918235843.db2.gz HNSYGAJXURJXRX-NSHDSACASA-N 1 0 278.360 -0.134 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001485950842 918240320 /nfs/dbraw/zinc/24/03/20/918240320.db2.gz RFASPJQSFULPFH-NSHDSACASA-N 1 0 293.371 -0.650 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCOC(C)C ZINC001485974959 918262152 /nfs/dbraw/zinc/26/21/52/918262152.db2.gz AXCIGWJIMSJCCP-GFCCVEGCSA-N 1 0 256.346 -0.109 20 30 CBEDRO CC/C=C(/C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001485980509 918271475 /nfs/dbraw/zinc/27/14/75/918271475.db2.gz QUTKVDPUQXJQOO-FGUAACIASA-N 1 0 282.344 -0.951 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1n[nH]c(C)c1C ZINC001485983190 918276820 /nfs/dbraw/zinc/27/68/20/918276820.db2.gz UDIKKRMJXSJMBL-LBPRGKRZSA-N 1 0 294.355 -0.643 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCOC1 ZINC001485986957 918280540 /nfs/dbraw/zinc/28/05/40/918280540.db2.gz XRJHBFUKUOLGGT-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1CC(OCC)C1 ZINC001485992580 918291135 /nfs/dbraw/zinc/29/11/35/918291135.db2.gz PEXGIULSVRRZML-OTTFEQOBSA-N 1 0 268.357 -0.109 20 30 CBEDRO C=C(C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001485999892 918294080 /nfs/dbraw/zinc/29/40/80/918294080.db2.gz HLOBIBUOSHTROU-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(C)nnc1C ZINC001486000126 918294257 /nfs/dbraw/zinc/29/42/57/918294257.db2.gz LTCZSGLUQLUCTK-LBPRGKRZSA-N 1 0 276.340 -0.203 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C)C1=O ZINC001486000682 918294400 /nfs/dbraw/zinc/29/44/00/918294400.db2.gz VOFFLSHKWWVVRU-NWDGAFQWSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001486001317 918294447 /nfs/dbraw/zinc/29/44/47/918294447.db2.gz FHCXVOITXRVWEZ-STQMWFEESA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CC(C)(C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001486000683 918295831 /nfs/dbraw/zinc/29/58/31/918295831.db2.gz VOFFLSHKWWVVRU-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001486005967 918298385 /nfs/dbraw/zinc/29/83/85/918298385.db2.gz BOQNOWASFKKRLO-GFCCVEGCSA-N 1 0 291.351 -0.603 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1(COC)CCOCC1 ZINC001486003672 918299039 /nfs/dbraw/zinc/29/90/39/918299039.db2.gz YPKNEOSKAPBTIT-GFCCVEGCSA-N 1 0 286.372 -0.318 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)c(C)cc1=O ZINC001486006519 918299928 /nfs/dbraw/zinc/29/99/28/918299928.db2.gz MUDOTSNEZIODRG-LLVKDONJSA-N 1 0 279.340 -0.440 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccnc2ccnn21 ZINC001486002530 918300132 /nfs/dbraw/zinc/30/01/32/918300132.db2.gz RZQLDBSVCDYDLI-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)Cc1cnccc1OC ZINC001486008696 918300828 /nfs/dbraw/zinc/30/08/28/918300828.db2.gz RLBFWXDALQJXJU-ZDUSSCGKSA-N 1 0 291.351 -0.277 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)CN1CCCCC1=O ZINC001486010747 918302166 /nfs/dbraw/zinc/30/21/66/918302166.db2.gz FSQIULRDRWVRGE-LBPRGKRZSA-N 1 0 283.372 -0.358 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001486009894 918303374 /nfs/dbraw/zinc/30/33/74/918303374.db2.gz DTELELUSKDREBG-CHWSQXEVSA-N 1 0 290.367 -0.465 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(C2CC2)on1 ZINC001486021397 918309517 /nfs/dbraw/zinc/30/95/17/918309517.db2.gz VYRKBMTUYJBULP-SNVBAGLBSA-N 1 0 263.297 -0.135 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC1(C)C ZINC001486024997 918318130 /nfs/dbraw/zinc/31/81/30/918318130.db2.gz FJLCDMZIBZANQY-VXGBXAGGSA-N 1 0 297.399 -0.209 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001486024878 918318665 /nfs/dbraw/zinc/31/86/65/918318665.db2.gz VAXCQLVQHMFZRL-NSHDSACASA-N 1 0 283.372 -0.456 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccoc1CC(N)=O ZINC001486026995 918320068 /nfs/dbraw/zinc/32/00/68/918320068.db2.gz JFGGHDODDIAGJM-JTQLQIEISA-N 1 0 293.323 -0.989 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC)CC1 ZINC001486032716 918329799 /nfs/dbraw/zinc/32/97/99/918329799.db2.gz SYNWOPJZFMLHLK-ZDUSSCGKSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)[NH2+]CC ZINC001486041277 918337073 /nfs/dbraw/zinc/33/70/73/918337073.db2.gz NUWXAXFECJTBPT-NEPJUHHUSA-N 1 0 271.361 -0.456 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)COC ZINC001486047907 918339868 /nfs/dbraw/zinc/33/98/68/918339868.db2.gz NZLVCRZEXYLRFF-VXGBXAGGSA-N 1 0 256.346 -0.251 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001486047019 918341484 /nfs/dbraw/zinc/34/14/84/918341484.db2.gz CPLUXVNGMJSKGL-JTQLQIEISA-N 1 0 280.328 -0.630 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(C(F)F)c1 ZINC001486047805 918341527 /nfs/dbraw/zinc/34/15/27/918341527.db2.gz MZQRIDBQOCBACG-SNVBAGLBSA-N 1 0 286.282 -0.018 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001486055926 918349267 /nfs/dbraw/zinc/34/92/67/918349267.db2.gz QKWJUOBWPYUIPN-SNVBAGLBSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001486066672 918355239 /nfs/dbraw/zinc/35/52/39/918355239.db2.gz UWVUNNXTOLLKRC-NSHDSACASA-N 1 0 292.339 -0.563 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCCn1ccnc1 ZINC001486066259 918355272 /nfs/dbraw/zinc/35/52/72/918355272.db2.gz QJBIMAPLGDIRML-CYBMUJFWSA-N 1 0 278.356 -0.247 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1C ZINC001486084931 918358367 /nfs/dbraw/zinc/35/83/67/918358367.db2.gz MSALQSJJMJZDCO-MNOVXSKESA-N 1 0 274.324 -0.014 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001486084932 918360121 /nfs/dbraw/zinc/36/01/21/918360121.db2.gz MSALQSJJMJZDCO-WDEREUQCSA-N 1 0 274.324 -0.014 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC)C1 ZINC001486098837 918361524 /nfs/dbraw/zinc/36/15/24/918361524.db2.gz SQGQEGYTKBFGJS-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H]1C ZINC001486094868 918365071 /nfs/dbraw/zinc/36/50/71/918365071.db2.gz FIFJOSGVLWBQDM-VXGBXAGGSA-N 1 0 288.351 -0.004 20 30 CBEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCNS(C)(=O)=O)C1 ZINC001486112578 918366339 /nfs/dbraw/zinc/36/63/39/918366339.db2.gz QTRFLRHGVRVRRM-GHMZBOCLSA-N 1 0 289.401 -0.309 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001486105379 918366948 /nfs/dbraw/zinc/36/69/48/918366948.db2.gz PMAOLACCPBECKD-KOLCDFICSA-N 1 0 289.339 -0.175 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COCCC)C1 ZINC001486109861 918368849 /nfs/dbraw/zinc/36/88/49/918368849.db2.gz XXRVQSWIUWQREF-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)NC(N)=O)CCC[C@H]12 ZINC001486152528 918375048 /nfs/dbraw/zinc/37/50/48/918375048.db2.gz UDOFFGZAODZILH-COPLHBTASA-N 1 0 278.356 -0.210 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)F ZINC001486257330 918394517 /nfs/dbraw/zinc/39/45/17/918394517.db2.gz JWPAFWVNOXCHDE-LLVKDONJSA-N 1 0 274.336 -0.207 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001486189647 918377621 /nfs/dbraw/zinc/37/76/21/918377621.db2.gz AADZOWQOPWQZOS-ZIAGYGMSSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001486202833 918381362 /nfs/dbraw/zinc/38/13/62/918381362.db2.gz PZWPKVKWINVETH-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001486216411 918385082 /nfs/dbraw/zinc/38/50/82/918385082.db2.gz SEQIAAVXZYJRHN-GHMZBOCLSA-N 1 0 261.329 -0.064 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C(F)F)CC1(C)C ZINC001486223091 918385243 /nfs/dbraw/zinc/38/52/43/918385243.db2.gz XULBDKJWDSJLES-VIFPVBQESA-N 1 0 287.310 -0.173 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001486258438 918394293 /nfs/dbraw/zinc/39/42/93/918394293.db2.gz WBQYMIZVKJUOBI-JTQLQIEISA-N 1 0 278.299 -0.300 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486260241 918394808 /nfs/dbraw/zinc/39/48/08/918394808.db2.gz KJJBCPBIAHGWNI-VIFPVBQESA-N 1 0 266.301 -0.609 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001486258439 918394846 /nfs/dbraw/zinc/39/48/46/918394846.db2.gz WBQYMIZVKJUOBI-SNVBAGLBSA-N 1 0 278.299 -0.300 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OC)no1 ZINC001486272125 918400807 /nfs/dbraw/zinc/40/08/07/918400807.db2.gz 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DKZRWQBZYYIBSB-QWRGUYRKSA-N 1 0 282.344 -0.710 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001491431868 919157130 /nfs/dbraw/zinc/15/71/30/919157130.db2.gz OEPUTIQFPSKJNT-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001491433831 919157246 /nfs/dbraw/zinc/15/72/46/919157246.db2.gz GCHWZCAQFAZVNE-WDEREUQCSA-N 1 0 294.359 -0.764 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1ccc(C)o1 ZINC001491432606 919157906 /nfs/dbraw/zinc/15/79/06/919157906.db2.gz UJBJILAUSCRABL-LLVKDONJSA-N 1 0 291.351 -0.026 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001491443081 919166525 /nfs/dbraw/zinc/16/65/25/919166525.db2.gz ISLPZJUIJXZXSE-SFYZADRCSA-N 1 0 261.709 -0.058 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001491456173 919169056 /nfs/dbraw/zinc/16/90/56/919169056.db2.gz WTNSXRDEEOXLQU-LBPRGKRZSA-N 1 0 280.372 -0.091 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001491454532 919169110 /nfs/dbraw/zinc/16/91/10/919169110.db2.gz KISWOIRZJITWOC-NWDGAFQWSA-N 1 0 296.371 -0.856 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001491454529 919169932 /nfs/dbraw/zinc/16/99/32/919169932.db2.gz KISWOIRZJITWOC-NEPJUHHUSA-N 1 0 296.371 -0.856 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)CN1CCCS1(=O)=O ZINC001491473668 919177438 /nfs/dbraw/zinc/17/74/38/919177438.db2.gz MCEJWFDGQIKCRO-JTQLQIEISA-N 1 0 275.374 -0.698 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cnco1 ZINC001491543901 919199237 /nfs/dbraw/zinc/19/92/37/919199237.db2.gz WYKSBEIZWCBDLU-UWVGGRQHSA-N 1 0 278.312 -0.480 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC001491546032 919199600 /nfs/dbraw/zinc/19/96/00/919199600.db2.gz AUDZZNVKMGYPOX-GMTAPVOTSA-N 1 0 251.330 -0.514 20 30 CBEDRO CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001491558396 919202973 /nfs/dbraw/zinc/20/29/73/919202973.db2.gz JLCCBPWLELTJIK-GHMZBOCLSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001491556904 919204215 /nfs/dbraw/zinc/20/42/15/919204215.db2.gz GGXMDJSFZHFZST-KVSVUVNWSA-N 1 0 293.367 -0.889 20 30 CBEDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(N)=O)cc1C#N ZINC001491569555 919213190 /nfs/dbraw/zinc/21/31/90/919213190.db2.gz YOMWOKACSBQVFF-SECBINFHSA-N 1 0 290.323 -0.354 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001491604017 919222550 /nfs/dbraw/zinc/22/25/50/919222550.db2.gz ONGPEMHGLMOSSV-SNVBAGLBSA-N 1 0 291.417 -0.015 20 30 CBEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001491590495 919219167 /nfs/dbraw/zinc/21/91/67/919219167.db2.gz PEPQUIVROWQSAK-RKDXNWHRSA-N 1 0 297.808 -0.229 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1nccc1C ZINC001491595651 919223645 /nfs/dbraw/zinc/22/36/45/919223645.db2.gz PSNPPLQPESZQHH-LLVKDONJSA-N 1 0 293.371 -0.412 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CNC(=O)CCn1cnnn1 ZINC001491616967 919231999 /nfs/dbraw/zinc/23/19/99/919231999.db2.gz BLEOTFYKQVKOBP-JTQLQIEISA-N 1 0 250.306 -0.819 20 30 CBEDRO C=CCOCC(=O)NCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001491629674 919240809 /nfs/dbraw/zinc/24/08/09/919240809.db2.gz FTBUVLOZCOUHEX-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CC[NH2+][C@H](C)CNC(=O)CS(=O)(=O)NC(C)(C)C ZINC001491675603 919251924 /nfs/dbraw/zinc/25/19/24/919251924.db2.gz DVBVSUQCKXOIKY-SNVBAGLBSA-N 1 0 291.417 -0.015 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CCOC)C1 ZINC001491706031 919260817 /nfs/dbraw/zinc/26/08/17/919260817.db2.gz PALWSONUHASVDT-LBPRGKRZSA-N 1 0 254.330 -0.137 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC)C1 ZINC001491706707 919260938 /nfs/dbraw/zinc/26/09/38/919260938.db2.gz ZUMGGTJRZPSACW-JTQLQIEISA-N 1 0 255.318 -0.875 20 30 CBEDRO CC[C@H](C)OCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491721080 919264756 /nfs/dbraw/zinc/26/47/56/919264756.db2.gz GFIUSMNTQLOFPX-RYUDHWBXSA-N 1 0 296.371 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001491717695 919266090 /nfs/dbraw/zinc/26/60/90/919266090.db2.gz GEZQUWNHOVUTCX-QWRGUYRKSA-N 1 0 262.313 -0.914 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001491764462 919273425 /nfs/dbraw/zinc/27/34/25/919273425.db2.gz ZKOOKTDXJFDGDL-NSHDSACASA-N 1 0 294.355 -0.353 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001491781660 919275157 /nfs/dbraw/zinc/27/51/57/919275157.db2.gz DEFHOKYYQQGRKZ-JTQLQIEISA-N 1 0 284.751 -0.136 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)COCC=C)C1 ZINC001491791052 919279424 /nfs/dbraw/zinc/27/94/24/919279424.db2.gz KFZFEJVTVHAYPA-ZDUSSCGKSA-N 1 0 293.367 -0.624 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001491792494 919279806 /nfs/dbraw/zinc/27/98/06/919279806.db2.gz VEWQYANCBSGYCP-VXGBXAGGSA-N 1 0 276.340 -0.666 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001491812806 919285468 /nfs/dbraw/zinc/28/54/68/919285468.db2.gz TZGNQIMBYDIPOQ-LLVKDONJSA-N 1 0 274.324 -0.040 20 30 CBEDRO C#CCCCC(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001491803277 919286159 /nfs/dbraw/zinc/28/61/59/919286159.db2.gz QZHXSRUNZSQRMH-GFCCVEGCSA-N 1 0 290.371 -0.048 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001491837338 919287326 /nfs/dbraw/zinc/28/73/26/919287326.db2.gz ALMFWNWTFOEYII-SNVBAGLBSA-N 1 0 279.340 -0.337 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001491837252 919289507 /nfs/dbraw/zinc/28/95/07/919289507.db2.gz JCLQSKNGGFJVCD-VXGBXAGGSA-N 1 0 290.367 -0.136 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001491866127 919290614 /nfs/dbraw/zinc/29/06/14/919290614.db2.gz RVFKRNNKUNHJGG-GHMZBOCLSA-N 1 0 267.329 -0.007 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(C)=O)C1 ZINC001491860549 919291935 /nfs/dbraw/zinc/29/19/35/919291935.db2.gz FVXUZDYPADTRIJ-VXGBXAGGSA-N 1 0 251.330 -0.227 20 30 CBEDRO CCOCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491863387 919293324 /nfs/dbraw/zinc/29/33/24/919293324.db2.gz MKKVXHAXOHATRJ-RYUDHWBXSA-N 1 0 296.371 -0.320 20 30 CBEDRO C=CCOCC(=O)N1CCC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001491915455 919299753 /nfs/dbraw/zinc/29/97/53/919299753.db2.gz CXXOGAYWLYJTNK-NWDGAFQWSA-N 1 0 283.372 -0.014 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)=O ZINC001491984321 919306249 /nfs/dbraw/zinc/30/62/49/919306249.db2.gz CSZUDNKNPGBAMF-LBPRGKRZSA-N 1 0 283.372 -0.401 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[C@H](C)[NH2+]Cc1nncn1C ZINC001491995457 919308424 /nfs/dbraw/zinc/30/84/24/919308424.db2.gz FMOSVMDYENMLHV-ZJUUUORDSA-N 1 0 264.333 -0.041 20 30 CBEDRO C#CCC[NH2+][C@H](C)CCNC(=O)Cn1ncnn1 ZINC001492024700 919312242 /nfs/dbraw/zinc/31/22/42/919312242.db2.gz VRZGGEZBBHSZBN-SNVBAGLBSA-N 1 0 250.306 -0.819 20 30 CBEDRO C[C@@H](CCNC(=O)C#CC1CC1)[NH2+]Cc1nnnn1C ZINC001492022213 919312980 /nfs/dbraw/zinc/31/29/80/919312980.db2.gz PDAKWVLDRJPSGG-JTQLQIEISA-N 1 0 276.344 -0.392 20 30 CBEDRO C[C@H](CCNC(=O)C[C@H]1CCOC1)[NH2+]CC(=O)NCC#N ZINC001492078723 919319202 /nfs/dbraw/zinc/31/92/02/919319202.db2.gz VWTQQDOITSSDMN-VXGBXAGGSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCC[NH2+][C@H](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001492075376 919319669 /nfs/dbraw/zinc/31/96/69/919319669.db2.gz KVKKLDWXDDIZIG-SNVBAGLBSA-N 1 0 262.313 -0.109 20 30 CBEDRO CC#CC[NH2+][C@H](C)CCNC(=O)C1(C(N)=O)CC1 ZINC001492078906 919322110 /nfs/dbraw/zinc/32/21/10/919322110.db2.gz PZCSDUNGILIGNI-SNVBAGLBSA-N 1 0 251.330 -0.240 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001492078954 919323956 /nfs/dbraw/zinc/32/39/56/919323956.db2.gz RCCANVPFLXZWCD-ZJUUUORDSA-N 1 0 254.334 -0.272 20 30 CBEDRO CC#CC[N@H+](C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001492251722 919377177 /nfs/dbraw/zinc/37/71/77/919377177.db2.gz VSNQHMLNKKRXES-JTQLQIEISA-N 1 0 254.334 -0.495 20 30 CBEDRO COCC#CC[N@H+](C)CCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001492297879 919385823 /nfs/dbraw/zinc/38/58/23/919385823.db2.gz XOFAKFROAUAHER-ZDUSSCGKSA-N 1 0 295.383 -0.447 20 30 CBEDRO C=CCNC(=O)CN(C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001492310662 919386333 /nfs/dbraw/zinc/38/63/33/919386333.db2.gz IFSIXRINCBKQBH-RYUDHWBXSA-N 1 0 283.372 -0.238 20 30 CBEDRO C=CCNC(=O)CN(C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001492310661 919386985 /nfs/dbraw/zinc/38/69/85/919386985.db2.gz IFSIXRINCBKQBH-NWDGAFQWSA-N 1 0 283.372 -0.238 20 30 CBEDRO CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001492328526 919392699 /nfs/dbraw/zinc/39/26/99/919392699.db2.gz MFLGZWHYZUEISI-GFCCVEGCSA-N 1 0 280.372 -0.152 20 30 CBEDRO C#CCC[N@H+](C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001492328871 919395031 /nfs/dbraw/zinc/39/50/31/919395031.db2.gz YVVHCGPBRGOATK-UHFFFAOYSA-N 1 0 279.340 -0.403 20 30 CBEDRO C#CC[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001492381836 919405724 /nfs/dbraw/zinc/40/57/24/919405724.db2.gz TZIWKYMVRPANQB-CYBMUJFWSA-N 1 0 251.330 -0.416 20 30 CBEDRO C[C@@H]1COCC[C@H]1C(=O)NCCN(C)CC(=O)NCC#N ZINC001492407742 919407175 /nfs/dbraw/zinc/40/71/75/919407175.db2.gz ZNAIYMQZSMJTIU-VXGBXAGGSA-N 1 0 296.371 -0.653 20 30 CBEDRO C=CCNC(=O)CN(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492423122 919413503 /nfs/dbraw/zinc/41/35/03/919413503.db2.gz MGVSVUHROISFLU-ZDUSSCGKSA-N 1 0 296.415 -0.322 20 30 CBEDRO C=CC[N@@H+](C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001492431992 919413774 /nfs/dbraw/zinc/41/37/74/919413774.db2.gz XENIWUGAENNKHV-VIFPVBQESA-N 1 0 263.363 -0.842 20 30 CBEDRO C=CCNC(=O)CN(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492423103 919414809 /nfs/dbraw/zinc/41/48/09/919414809.db2.gz MGVSVUHROISFLU-CYBMUJFWSA-N 1 0 296.415 -0.322 20 30 CBEDRO C=CC[N@H+](C)CCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001492466721 919426451 /nfs/dbraw/zinc/42/64/51/919426451.db2.gz NXINNKTUDZNIRV-UHFFFAOYSA-N 1 0 280.328 -0.027 20 30 CBEDRO CC#CC[N@H+](CC)CCNC(=O)[C@@H](C)NC(C)=O ZINC001492909207 919445459 /nfs/dbraw/zinc/44/54/59/919445459.db2.gz VIHZUQYTWUDSQW-LLVKDONJSA-N 1 0 253.346 -0.028 20 30 CBEDRO C#CCC[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001492894549 919442905 /nfs/dbraw/zinc/44/29/05/919442905.db2.gz 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C#CCO[C@H](C)C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001495247414 919879901 /nfs/dbraw/zinc/87/99/01/919879901.db2.gz CAMPHBLWIPWLFR-YGRLFVJLSA-N 1 0 281.356 -0.616 20 30 CBEDRO C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001495275829 919883702 /nfs/dbraw/zinc/88/37/02/919883702.db2.gz CQPZJFJBKQJEBK-ZOWXZIJZSA-N 1 0 293.367 -0.473 20 30 CBEDRO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001495377396 919887172 /nfs/dbraw/zinc/88/71/72/919887172.db2.gz DNDYZWXFQKKZJY-NSHDSACASA-N 1 0 251.330 -0.287 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001495374154 919887434 /nfs/dbraw/zinc/88/74/34/919887434.db2.gz MILKTEHCGQSINN-NSHDSACASA-N 1 0 276.344 -0.325 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)COCCC ZINC001495546492 919900846 /nfs/dbraw/zinc/90/08/46/919900846.db2.gz QPNXKNPJQDVLRA-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(F)F ZINC001495568209 919904898 /nfs/dbraw/zinc/90/48/98/919904898.db2.gz AQXZSQWFZMHPBP-SNVBAGLBSA-N 1 0 287.310 -0.028 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001495578146 919905266 /nfs/dbraw/zinc/90/52/66/919905266.db2.gz KQVKJBWJNMQKLQ-MXWKQRLJSA-N 1 0 251.330 -0.126 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495573407 919907001 /nfs/dbraw/zinc/90/70/01/919907001.db2.gz MISBTFJLCCNOKR-NEPJUHHUSA-N 1 0 278.356 -0.386 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC1 ZINC001495609928 919908256 /nfs/dbraw/zinc/90/82/56/919908256.db2.gz ZCWWSRDIYUURKM-GHMZBOCLSA-N 1 0 265.357 -0.124 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)F ZINC001495608173 919908709 /nfs/dbraw/zinc/90/87/09/919908709.db2.gz LUJAPUIOPIGXEZ-JTQLQIEISA-N 1 0 271.336 -0.174 20 30 CBEDRO C[C@@H](CNC(=O)CSCC#N)C[NH2+]CC(N)=O ZINC001495620524 919909471 /nfs/dbraw/zinc/90/94/71/919909471.db2.gz CBIJQGKSGIGVNP-MRVPVSSYSA-N 1 0 258.347 -0.930 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)CC(=O)NCC ZINC001495646698 919915514 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CC#CC[NH2+]C[C@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001495670573 919923425 /nfs/dbraw/zinc/92/34/25/919923425.db2.gz ZMEQOPJHVFGDSW-QWRGUYRKSA-N 1 0 268.361 -0.202 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001495670575 919923779 /nfs/dbraw/zinc/92/37/79/919923779.db2.gz ZMEQOPJHVFGDSW-WDEREUQCSA-N 1 0 268.361 -0.202 20 30 CBEDRO COC[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)C#CC1CC1 ZINC001495660980 919923806 /nfs/dbraw/zinc/92/38/06/919923806.db2.gz JUUJJFQDTZJCJB-AAEUAGOBSA-N 1 0 268.357 -0.251 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C#CC1CC1 ZINC001495662115 919924083 /nfs/dbraw/zinc/92/40/83/919924083.db2.gz WLKCNHABBBVQAK-LLVKDONJSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)CC ZINC001495669579 919924282 /nfs/dbraw/zinc/92/42/82/919924282.db2.gz BSPCQAQSSJCIGM-QWRGUYRKSA-N 1 0 289.401 -0.711 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001495682427 919926490 /nfs/dbraw/zinc/92/64/90/919926490.db2.gz CGXOUIJWGPYSMH-NSHDSACASA-N 1 0 292.339 -0.213 20 30 CBEDRO C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001495704150 919930551 /nfs/dbraw/zinc/93/05/51/919930551.db2.gz JOCGFLVRULYNSF-QWRGUYRKSA-N 1 0 274.386 -0.051 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cnon1 ZINC001495770334 919940720 /nfs/dbraw/zinc/94/07/20/919940720.db2.gz NNMWXYBBUFNCHC-ZJUUUORDSA-N 1 0 295.343 -0.284 20 30 CBEDRO C[C@@H](CNCC#N)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001495809376 919948598 /nfs/dbraw/zinc/94/85/98/919948598.db2.gz RBQALOLZPZYCHH-STQMWFEESA-N 1 0 282.388 -0.180 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CN(C)CCO2)CCCC1 ZINC001495906958 919985215 /nfs/dbraw/zinc/98/52/15/919985215.db2.gz MQFWIYPZHBTGPZ-ZDUSSCGKSA-N 1 0 279.384 -0.031 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(F)F ZINC001495986596 919995608 /nfs/dbraw/zinc/99/56/08/919995608.db2.gz ZUNJCLJBSRXWSD-QMMMGPOBSA-N 1 0 261.272 -0.563 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)COC(C)C ZINC001496016002 920006108 /nfs/dbraw/zinc/00/61/08/920006108.db2.gz COHHPJAQOUCZQO-GFCCVEGCSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001496090142 920025708 /nfs/dbraw/zinc/02/57/08/920025708.db2.gz GZDVXRJBORHURR-RYUDHWBXSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001496152885 920033842 /nfs/dbraw/zinc/03/38/42/920033842.db2.gz XULXQKJJALOOPY-VIFPVBQESA-N 1 0 250.302 -0.191 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001496158153 920034313 /nfs/dbraw/zinc/03/43/13/920034313.db2.gz PUHBCBDRJHKTBF-SWLSCSKDSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1cnn(C)n1 ZINC001496156447 920034429 /nfs/dbraw/zinc/03/44/29/920034429.db2.gz YNQUHFOEZFQYKX-LLVKDONJSA-N 1 0 263.345 -0.183 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1conc1C ZINC001496148189 920035219 /nfs/dbraw/zinc/03/52/19/920035219.db2.gz BVJZVWCIGRJSLT-JTQLQIEISA-N 1 0 292.339 -0.217 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001496168045 920036754 /nfs/dbraw/zinc/03/67/54/920036754.db2.gz DILPLFRLWUKRAS-SNVBAGLBSA-N 1 0 294.355 -0.680 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cnon1 ZINC001496187564 920039039 /nfs/dbraw/zinc/03/90/39/920039039.db2.gz ZKMKBVOCYKETKM-SNVBAGLBSA-N 1 0 266.301 -0.231 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001496172886 920040274 /nfs/dbraw/zinc/04/02/74/920040274.db2.gz QPZJOKXEGDQHJV-JTQLQIEISA-N 1 0 292.405 -0.995 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001496224463 920047682 /nfs/dbraw/zinc/04/76/82/920047682.db2.gz BDQAVQZQNACQCY-ZJUUUORDSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC)C[C@H]1C ZINC001496331994 920060183 /nfs/dbraw/zinc/06/01/83/920060183.db2.gz HGJPFEMMZMKDOO-NEPJUHHUSA-N 1 0 281.356 -0.791 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001496357106 920062932 /nfs/dbraw/zinc/06/29/32/920062932.db2.gz CYNLWKXPWOCRBA-QWHCGFSZSA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001496426882 920071328 /nfs/dbraw/zinc/07/13/28/920071328.db2.gz DAFXGJOBURIXJW-NWDGAFQWSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCNC(N)=O ZINC001496489640 920075284 /nfs/dbraw/zinc/07/52/84/920075284.db2.gz FHMWGNQLWIDTCC-NWDGAFQWSA-N 1 0 280.372 -0.105 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C)OC)C(C)C ZINC001496529963 920084308 /nfs/dbraw/zinc/08/43/08/920084308.db2.gz BLUQSKSTPVFEEE-VXGBXAGGSA-N 1 0 283.372 -0.499 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001496550713 920086316 /nfs/dbraw/zinc/08/63/16/920086316.db2.gz PCFQSNHFYGSXCM-MFKMUULPSA-N 1 0 271.361 -0.471 20 30 CBEDRO CC(C)[C@H](CNC(=O)c1cc[nH]c1)[NH2+]CC(=O)NCC#N ZINC001496558968 920088440 /nfs/dbraw/zinc/08/84/40/920088440.db2.gz UESRAXHWTXLQMB-LBPRGKRZSA-N 1 0 291.355 -0.002 20 30 CBEDRO CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001496590482 920091318 /nfs/dbraw/zinc/09/13/18/920091318.db2.gz PTROYGHEZPYUEV-RYUDHWBXSA-N 1 0 265.357 -0.124 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001496590483 920091354 /nfs/dbraw/zinc/09/13/54/920091354.db2.gz PTROYGHEZPYUEV-VXGBXAGGSA-N 1 0 265.357 -0.124 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001496748793 920123928 /nfs/dbraw/zinc/12/39/28/920123928.db2.gz SNGXWBVIYRKTFS-LBPRGKRZSA-N 1 0 289.339 -0.611 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001496824951 920136618 /nfs/dbraw/zinc/13/66/18/920136618.db2.gz NSZAZZYFDLGROD-NSHDSACASA-N 1 0 251.330 -0.322 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001496827069 920139516 /nfs/dbraw/zinc/13/95/16/920139516.db2.gz HQCWKCJGZYOQML-UHFFFAOYSA-N 1 0 293.371 -0.696 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CNC(=O)NC ZINC001496885360 920146939 /nfs/dbraw/zinc/14/69/39/920146939.db2.gz BZJKVINVUKSNKB-VXGBXAGGSA-N 1 0 280.372 -0.187 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001496934205 920158287 /nfs/dbraw/zinc/15/82/87/920158287.db2.gz STIABOKXVKSHEU-LBPRGKRZSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cnns1 ZINC001496944230 920164785 /nfs/dbraw/zinc/16/47/85/920164785.db2.gz NBXXMRRKHGQWNL-QMMMGPOBSA-N 1 0 256.331 -0.206 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001496947932 920169873 /nfs/dbraw/zinc/16/98/73/920169873.db2.gz BPVUAEDQKZBBHC-CHWSQXEVSA-N 1 0 284.356 -0.871 20 30 CBEDRO CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001496956224 920175418 /nfs/dbraw/zinc/17/54/18/920175418.db2.gz YWTVPEMFSVMCCW-MWLCHTKSSA-N 1 0 280.332 -0.976 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001496955748 920178019 /nfs/dbraw/zinc/17/80/19/920178019.db2.gz UQCNPOBQIXKNJS-IUCAKERBSA-N 1 0 268.342 -0.131 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CCF)[nH]1 ZINC001496964418 920180482 /nfs/dbraw/zinc/18/04/82/920180482.db2.gz IPHDQOZPDSTDOJ-VIFPVBQESA-N 1 0 254.265 -0.464 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCOC2)[nH]1 ZINC001496964820 920180658 /nfs/dbraw/zinc/18/06/58/920180658.db2.gz LAOGIHRZDLYKLT-CMPLNLGQSA-N 1 0 292.339 -0.397 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)[nH]1 ZINC001496964824 920181871 /nfs/dbraw/zinc/18/18/71/920181871.db2.gz LAOGIHRZDLYKLT-ZYHUDNBSSA-N 1 0 292.339 -0.397 20 30 CBEDRO CCC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001496967822 920184412 /nfs/dbraw/zinc/18/44/12/920184412.db2.gz CHKSULSNELMXEB-LLVKDONJSA-N 1 0 250.302 -0.023 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001496966703 920185056 /nfs/dbraw/zinc/18/50/56/920185056.db2.gz VVGOBDGIDNXKKQ-CYBMUJFWSA-N 1 0 285.388 -0.649 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001496968993 920187227 /nfs/dbraw/zinc/18/72/27/920187227.db2.gz CYEYTTBGFGFOSK-CYBMUJFWSA-N 1 0 278.356 -0.210 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1conc1C ZINC001496979711 920189397 /nfs/dbraw/zinc/18/93/97/920189397.db2.gz BOHQNBKYMCFILW-DGCLKSJQSA-N 1 0 295.339 -0.412 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnnn1C ZINC001496977690 920190691 /nfs/dbraw/zinc/19/06/91/920190691.db2.gz YXOGGESFFMNVOJ-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001496976707 920191200 /nfs/dbraw/zinc/19/12/00/920191200.db2.gz FQZDDMCVIWIVDP-MRVPVSSYSA-N 1 0 273.724 -0.752 20 30 CBEDRO COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C#CC(C)(C)C ZINC001496979054 920191228 /nfs/dbraw/zinc/19/12/28/920191228.db2.gz DAVMGZKZQHPAJX-NEPJUHHUSA-N 1 0 286.372 -0.890 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001496976832 920191737 /nfs/dbraw/zinc/19/17/37/920191737.db2.gz HAZNLMNLOYIFIP-GFCCVEGCSA-N 1 0 297.399 -0.373 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001496991164 920195432 /nfs/dbraw/zinc/19/54/32/920195432.db2.gz LIWBJQIGTNTBSC-GHMZBOCLSA-N 1 0 297.355 -0.833 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(OCC)nc1 ZINC001496993725 920196943 /nfs/dbraw/zinc/19/69/43/920196943.db2.gz RMRISFRHQKSBHN-GFCCVEGCSA-N 1 0 277.324 -0.206 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CCS(C)(=O)=O ZINC001497000391 920201893 /nfs/dbraw/zinc/20/18/93/920201893.db2.gz AXAMSIWKFXKGMK-VIFPVBQESA-N 1 0 298.792 -0.760 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001496999158 920201931 /nfs/dbraw/zinc/20/19/31/920201931.db2.gz SMDGBFMPQBZLMD-JTQLQIEISA-N 1 0 263.297 -0.135 20 30 CBEDRO N#CCNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497005088 920206080 /nfs/dbraw/zinc/20/60/80/920206080.db2.gz ZMMMXLSTXGBOLK-GFCCVEGCSA-N 1 0 280.372 -0.547 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001497013443 920207448 /nfs/dbraw/zinc/20/74/48/920207448.db2.gz XZTYTHIHEYDVBI-DGCLKSJQSA-N 1 0 278.356 -0.302 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001497017740 920207808 /nfs/dbraw/zinc/20/78/08/920207808.db2.gz MXVRBGOMLUGPST-SNVBAGLBSA-N 1 0 278.312 -0.811 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2nccn21 ZINC001497018007 920208404 /nfs/dbraw/zinc/20/84/04/920208404.db2.gz PTYXAOIYNXSWPQ-LLVKDONJSA-N 1 0 272.308 -0.352 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1c(C)nn(C)c1C ZINC001497030985 920215197 /nfs/dbraw/zinc/21/51/97/920215197.db2.gz VXOCZAKFXMMZRD-CYBMUJFWSA-N 1 0 292.383 -0.331 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001497031983 920215282 /nfs/dbraw/zinc/21/52/82/920215282.db2.gz GLAWMZGEXBRHCS-SNVBAGLBSA-N 1 0 280.328 -0.868 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497048723 920226992 /nfs/dbraw/zinc/22/69/92/920226992.db2.gz SDJOXWCSDYABRW-DOMZBBRYSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497048726 920228560 /nfs/dbraw/zinc/22/85/60/920228560.db2.gz SDJOXWCSDYABRW-WFASDCNBSA-N 1 0 297.399 -0.112 20 30 CBEDRO C=CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001497051336 920229019 /nfs/dbraw/zinc/22/90/19/920229019.db2.gz QNQYNWTYWKZIFT-QWRGUYRKSA-N 1 0 297.355 -0.785 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C)c1CC ZINC001497052508 920231173 /nfs/dbraw/zinc/23/11/73/920231173.db2.gz DLEUUNJXFGUFKG-LLVKDONJSA-N 1 0 263.341 -0.099 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001497057459 920231926 /nfs/dbraw/zinc/23/19/26/920231926.db2.gz IOVWZJDOMYPCEC-NSHDSACASA-N 1 0 267.333 -1.000 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001497062759 920233793 /nfs/dbraw/zinc/23/37/93/920233793.db2.gz FSAAOLUTRHYDDE-LLVKDONJSA-N 1 0 284.747 -0.374 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001497075454 920240304 /nfs/dbraw/zinc/24/03/04/920240304.db2.gz IUTZDJFAFOGLOI-LLVKDONJSA-N 1 0 271.361 -0.456 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497079873 920243101 /nfs/dbraw/zinc/24/31/01/920243101.db2.gz HCHXNZYGMCHKOV-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001497081200 920243568 /nfs/dbraw/zinc/24/35/68/920243568.db2.gz QMDQJEBQROSBOW-TZMCWYRMSA-N 1 0 284.356 -0.871 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497079872 920244308 /nfs/dbraw/zinc/24/43/08/920244308.db2.gz HCHXNZYGMCHKOV-JTQLQIEISA-N 1 0 250.302 -0.958 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001497109023 920248260 /nfs/dbraw/zinc/24/82/60/920248260.db2.gz DCYVYNCKJSJVOU-OLZOCXBDSA-N 1 0 268.357 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001497112724 920250944 /nfs/dbraw/zinc/25/09/44/920250944.db2.gz FHNPFCVYNYEQEW-ZDUSSCGKSA-N 1 0 289.335 -0.511 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)SC ZINC001497147516 920261285 /nfs/dbraw/zinc/26/12/85/920261285.db2.gz UWEVGJIAHKJNHD-QWRGUYRKSA-N 1 0 285.413 -0.028 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC001497214680 920271670 /nfs/dbraw/zinc/27/16/70/920271670.db2.gz IWVINWDJOTUITA-NSHDSACASA-N 1 0 288.351 -0.159 20 30 CBEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001497210167 920272134 /nfs/dbraw/zinc/27/21/34/920272134.db2.gz YYWARECUZIJNHY-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001497240947 920275038 /nfs/dbraw/zinc/27/50/38/920275038.db2.gz JRYVBMXIISFYHP-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001497311575 920282186 /nfs/dbraw/zinc/28/21/86/920282186.db2.gz IIWHWGVUVSEQSB-LLVKDONJSA-N 1 0 289.401 -0.615 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC)nc1 ZINC001497307590 920282935 /nfs/dbraw/zinc/28/29/35/920282935.db2.gz NZHXEWVYIJBNDQ-NSHDSACASA-N 1 0 288.351 -0.093 20 30 CBEDRO CC#CC[NH2+]CC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001497325450 920286123 /nfs/dbraw/zinc/28/61/23/920286123.db2.gz QBZNYANKLGOFIY-SNVBAGLBSA-N 1 0 292.339 -0.393 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H](C)C#N ZINC001497361305 920294764 /nfs/dbraw/zinc/29/47/64/920294764.db2.gz BQRXRUKEMVHKJP-VIFPVBQESA-N 1 0 283.332 -0.960 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)CNC(=O)N1CCCC1 ZINC001497393441 920302271 /nfs/dbraw/zinc/30/22/71/920302271.db2.gz DJCCZDLLJUHMHL-UHFFFAOYSA-N 1 0 280.372 -0.137 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001497416780 920306929 /nfs/dbraw/zinc/30/69/29/920306929.db2.gz IGMHAOYNFKNZHJ-LLVKDONJSA-N 1 0 272.370 -0.508 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CC1CS(=O)(=O)C1 ZINC001497417455 920308768 /nfs/dbraw/zinc/30/87/68/920308768.db2.gz WMTSPXAKRXQIEX-UHFFFAOYSA-N 1 0 286.397 -0.118 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CN1C(=O)CN(C)C1=O ZINC001497493691 920310507 /nfs/dbraw/zinc/31/05/07/920310507.db2.gz FKYZQSLRMHEBBZ-UHFFFAOYSA-N 1 0 294.355 -0.658 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)COC)C1=O ZINC001497512979 920315055 /nfs/dbraw/zinc/31/50/55/920315055.db2.gz QACWIQNSOKRDCJ-ZYOFXKKJSA-N 1 0 281.356 -0.318 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C1CC1 ZINC001497511184 920315361 /nfs/dbraw/zinc/31/53/61/920315361.db2.gz IWXLNVVYZWWOOM-ARJAWSKDSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC=CCNC(=O)c1cnc(C)[nH]1 ZINC001497539410 920324678 /nfs/dbraw/zinc/32/46/78/920324678.db2.gz ADXQRDBKGXLCEP-SNAWJCMRSA-N 1 0 291.355 -0.104 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001497559871 920335069 /nfs/dbraw/zinc/33/50/69/920335069.db2.gz ZMURWMRDOWRQIY-XOULXFPDSA-N 1 0 289.339 -0.104 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)c1cnn(C)c1N ZINC001497565660 920339491 /nfs/dbraw/zinc/33/94/91/920339491.db2.gz CBHXVAOYKUOXPS-ARJAWSKDSA-N 1 0 291.355 -0.472 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)OC ZINC001497793479 920383041 /nfs/dbraw/zinc/38/30/41/920383041.db2.gz LSLRIIQIIQGYDT-NXEZZACHSA-N 1 0 257.334 -0.582 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)CCn1cnnn1 ZINC001497715611 920374849 /nfs/dbraw/zinc/37/48/49/920374849.db2.gz VINPGLGPZIAALV-ARJAWSKDSA-N 1 0 250.306 -0.489 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001497788538 920383315 /nfs/dbraw/zinc/38/33/15/920383315.db2.gz HZKCVQAQPBHSTD-GHMZBOCLSA-N 1 0 276.340 -0.140 20 30 CBEDRO CO[C@@H](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001497794684 920390946 /nfs/dbraw/zinc/39/09/46/920390946.db2.gz PUBFHSUROGZPRS-ZJUUUORDSA-N 1 0 270.333 -0.855 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1=CCOCC1 ZINC001497805139 920394203 /nfs/dbraw/zinc/39/42/03/920394203.db2.gz DVQMPZGASHVKKN-LLVKDONJSA-N 1 0 281.356 -0.270 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC)n1 ZINC001497812021 920397598 /nfs/dbraw/zinc/39/75/98/920397598.db2.gz HAOMBZRJMFWKMC-SNVBAGLBSA-N 1 0 294.359 -0.692 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001497811588 920398859 /nfs/dbraw/zinc/39/88/59/920398859.db2.gz XTLJDJUGFNFXJZ-SNVBAGLBSA-N 1 0 265.317 -0.827 20 30 CBEDRO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001497814805 920400027 /nfs/dbraw/zinc/40/00/27/920400027.db2.gz ZKRCTGGBGZPCPX-RKDXNWHRSA-N 1 0 280.328 -0.923 20 30 CBEDRO COCCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C#CC(C)C ZINC001497813908 920400986 /nfs/dbraw/zinc/40/09/86/920400986.db2.gz HLIPUSRJMPUWHF-CYBMUJFWSA-N 1 0 297.399 -0.107 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001497829252 920402928 /nfs/dbraw/zinc/40/29/28/920402928.db2.gz ABODJRPTLRTXPT-SFYZADRCSA-N 1 0 288.735 -0.569 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)c1cn(CCOC)nn1 ZINC001497815949 920404833 /nfs/dbraw/zinc/40/48/33/920404833.db2.gz OMWNTWMVVYCKMM-LLVKDONJSA-N 1 0 279.344 -0.344 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(CF)CCC1 ZINC001497917477 920420618 /nfs/dbraw/zinc/42/06/18/920420618.db2.gz UEGNIVGUXYUFLL-LLVKDONJSA-N 1 0 283.347 -0.030 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c2cnon2)C1=O ZINC001497945582 920425756 /nfs/dbraw/zinc/42/57/56/920425756.db2.gz OAUIPYJKDNUQHK-NXEZZACHSA-N 1 0 293.327 -0.436 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C)OC ZINC001498018551 920445110 /nfs/dbraw/zinc/44/51/10/920445110.db2.gz BZXAINRXQMXTLH-GARJFASQSA-N 1 0 269.345 -0.747 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccn(C)c1 ZINC001498032593 920449456 /nfs/dbraw/zinc/44/94/56/920449456.db2.gz ZYTCNLKWTDAHEI-JTQLQIEISA-N 1 0 277.328 -0.627 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001498132123 920491716 /nfs/dbraw/zinc/49/17/16/920491716.db2.gz OFTVSNJROZJJRQ-RYUDHWBXSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001498133466 920493025 /nfs/dbraw/zinc/49/30/25/920493025.db2.gz FSYBRVKDEYIMRP-WDEREUQCSA-N 1 0 296.371 -0.948 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001498156118 920502560 /nfs/dbraw/zinc/50/25/60/920502560.db2.gz AJKVNVRUBJDJER-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO CC[NH+](CC)CC(=O)NC1CN(C(=O)[C@H](C)C#N)C1 ZINC001498195612 920515911 /nfs/dbraw/zinc/51/59/11/920515911.db2.gz VSAVYXQOFLGSJN-SNVBAGLBSA-N 1 0 266.345 -0.185 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001498239646 920528784 /nfs/dbraw/zinc/52/87/84/920528784.db2.gz GGPOBLXDDPFEOQ-JTQLQIEISA-N 1 0 278.356 -0.043 20 30 CBEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)CCN1C(=O)CNC1=O ZINC001498247495 920531734 /nfs/dbraw/zinc/53/17/34/920531734.db2.gz MWSLQYUMLAMNPA-UWVGGRQHSA-N 1 0 295.343 -0.866 20 30 CBEDRO C#CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001498276338 920534537 /nfs/dbraw/zinc/53/45/37/920534537.db2.gz MCDBXKSLJVZSJY-LLVKDONJSA-N 1 0 291.355 -0.482 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001498299458 920546070 /nfs/dbraw/zinc/54/60/70/920546070.db2.gz KFPWTLRGIIBGPW-RYUDHWBXSA-N 1 0 265.357 -0.076 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498382969 920570264 /nfs/dbraw/zinc/57/02/64/920570264.db2.gz AJIXULLIFUFKAN-HOSYDEDBSA-N 1 0 278.356 -0.187 20 30 CBEDRO C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001498434446 920583208 /nfs/dbraw/zinc/58/32/08/920583208.db2.gz PKIKAFWEDDLYRQ-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001498455458 920592819 /nfs/dbraw/zinc/59/28/19/920592819.db2.gz HOGBYSNOPCIXOU-NWDGAFQWSA-N 1 0 275.356 -0.090 20 30 CBEDRO COC[C@@H](O)C[NH2+]CCCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001498532136 920601913 /nfs/dbraw/zinc/60/19/13/920601913.db2.gz SOSNWYGHGWDLGH-LBPRGKRZSA-N 1 0 294.355 -0.055 20 30 CBEDRO C#CCCCC(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001498541736 920605365 /nfs/dbraw/zinc/60/53/65/920605365.db2.gz LIDRZCHLRYYOEL-NSHDSACASA-N 1 0 296.371 -0.189 20 30 CBEDRO COCC#CC[NH2+]CCCN(C)C(=O)CO[C@H]1CCOC1 ZINC001498551380 920610391 /nfs/dbraw/zinc/61/03/91/920610391.db2.gz IJSSZNBPOVSSTP-AWEZNQCLSA-N 1 0 298.383 -0.120 20 30 CBEDRO CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001498591685 920613083 /nfs/dbraw/zinc/61/30/83/920613083.db2.gz HIRXXZNUTCGSDD-NEPJUHHUSA-N 1 0 265.357 -0.041 20 30 CBEDRO C=C(C)C[NH2+]CCCN(C)C(=O)CCn1ncn(C)c1=O ZINC001498585678 920613565 /nfs/dbraw/zinc/61/35/65/920613565.db2.gz GUKUCGRDAIHHEF-UHFFFAOYSA-N 1 0 295.387 -0.014 20 30 CBEDRO C#CCC[NH2+]CCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001498573062 920613986 /nfs/dbraw/zinc/61/39/86/920613986.db2.gz VYAGHRPRMMCKHA-UHFFFAOYSA-N 1 0 294.399 -0.778 20 30 CBEDRO C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCNC1=O ZINC001498592304 920616071 /nfs/dbraw/zinc/61/60/71/920616071.db2.gz OXKGNCZCUFCUQN-NSHDSACASA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001498592777 920616228 /nfs/dbraw/zinc/61/62/28/920616228.db2.gz VIYFSRBMQFENIU-GHMZBOCLSA-N 1 0 251.330 -0.431 20 30 CBEDRO CC#CC[NH2+]CCCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001498650072 920622533 /nfs/dbraw/zinc/62/25/33/920622533.db2.gz KSOBQAQKYPGPFN-LLVKDONJSA-N 1 0 294.355 -0.564 20 30 CBEDRO CC#CC[NH2+]C[C@@H](NC(=O)CS(=O)(=O)CC)C1CC1 ZINC001498875748 920651527 /nfs/dbraw/zinc/65/15/27/920651527.db2.gz PDCVYOCGXLWDFN-GFCCVEGCSA-N 1 0 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C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)ncn1 ZINC000591983757 355123652 /nfs/dbraw/zinc/12/36/52/355123652.db2.gz AFIIPVIKSDWIHI-JTQLQIEISA-N 1 0 274.328 -0.096 20 30 CBEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C#N)ncn1 ZINC000591983758 355123757 /nfs/dbraw/zinc/12/37/57/355123757.db2.gz AFIIPVIKSDWIHI-SNVBAGLBSA-N 1 0 274.328 -0.096 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591448189 355095427 /nfs/dbraw/zinc/09/54/27/355095427.db2.gz GZMMSVZETBPJJZ-QWRGUYRKSA-N 1 0 266.345 -0.318 20 30 CBEDRO C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591583148 355096019 /nfs/dbraw/zinc/09/60/19/355096019.db2.gz DMLKFVBXEWEUSE-SDDRHHMPSA-N 1 0 278.356 -0.043 20 30 CBEDRO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000592151711 355134552 /nfs/dbraw/zinc/13/45/52/355134552.db2.gz MSXGDHVXYREYHZ-VXGBXAGGSA-N 1 0 280.328 -0.354 20 30 CBEDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000592196256 355138509 /nfs/dbraw/zinc/13/85/09/355138509.db2.gz 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CBEDRO CC[C@H](C#N)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593784539 355218535 /nfs/dbraw/zinc/21/85/35/355218535.db2.gz QPGULFNZFDWBFX-LLVKDONJSA-N 1 0 266.345 -0.231 20 30 CBEDRO C=CCN(CC=C)C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874182 355265767 /nfs/dbraw/zinc/26/57/67/355265767.db2.gz MJZUBNJMKCQWBU-QWHCGFSZSA-N 1 0 292.383 -0.569 20 30 CBEDRO N#Cc1cnccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876235 355266700 /nfs/dbraw/zinc/26/67/00/355266700.db2.gz KRZWLPDSKBNCSP-QWHCGFSZSA-N 1 0 271.324 -0.303 20 30 CBEDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCO1 ZINC000595108188 355271692 /nfs/dbraw/zinc/27/16/92/355271692.db2.gz IXQCCBHOMOZZKR-PSASIEDQSA-N 1 0 285.325 -0.112 20 30 CBEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595152997 355273172 /nfs/dbraw/zinc/27/31/72/355273172.db2.gz RBFMUUBEPVMPDB-UHFFFAOYSA-N 1 0 287.323 -0.088 20 30 CBEDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C)n1 ZINC000595245111 355274402 /nfs/dbraw/zinc/27/44/02/355274402.db2.gz 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C#CCNC(N[C@H]1CCc2nc(COC)nn2C1)=[NH+]C ZINC000159105084 220216118 /nfs/dbraw/zinc/21/61/18/220216118.db2.gz XDPFADLAYNTQMQ-JTQLQIEISA-N 1 0 276.344 -0.463 20 30 CBEDRO CNC(NCCNS(=O)(=O)c1cccs1)=[NH+]C ZINC000160380974 220216336 /nfs/dbraw/zinc/21/63/36/220216336.db2.gz HLVYATQFZBLZCR-UHFFFAOYSA-N 1 0 276.387 -0.179 20 30 CBEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000155730009 220216458 /nfs/dbraw/zinc/21/64/58/220216458.db2.gz YQEPTXZJORDBTP-MNOVXSKESA-N 1 0 262.375 -0.063 20 30 CBEDRO C#CCNC(N[C@@H]1CCc2nc(COC)nn2C1)=[NH+]C ZINC000159104980 220216533 /nfs/dbraw/zinc/21/65/33/220216533.db2.gz XDPFADLAYNTQMQ-SNVBAGLBSA-N 1 0 276.344 -0.463 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178346819 220222108 /nfs/dbraw/zinc/22/21/08/220222108.db2.gz AIAUULJRIKQAPN-SNVBAGLBSA-N 1 0 255.318 -0.034 20 30 CBEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CCO1 ZINC000165340183 220218051 /nfs/dbraw/zinc/21/80/51/220218051.db2.gz QYHXJSZJGQHAHB-LLVKDONJSA-N 1 0 287.385 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C[C@H](O)C[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CO ZINC000190919260 220231592 /nfs/dbraw/zinc/23/15/92/220231592.db2.gz FCEGVGMSUAFZDF-RYUDHWBXSA-N 1 0 271.361 -0.188 20 30 CBEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)NCC#N)C1(C)C ZINC000190013490 220231714 /nfs/dbraw/zinc/23/17/14/220231714.db2.gz XKAPCFDSHJYGJR-ZWNOBZJWSA-N 1 0 269.345 -0.218 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000246174468 220238829 /nfs/dbraw/zinc/23/88/29/220238829.db2.gz JLAVSOWFYQOLQX-VHSXEESVSA-N 1 0 284.360 -0.299 20 30 CBEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC#N)CC1=O ZINC000246639426 220239009 /nfs/dbraw/zinc/23/90/09/220239009.db2.gz DEMODVODPQGQLE-NWDGAFQWSA-N 1 0 278.356 -0.041 20 30 CBEDRO CN1CCN(C(=O)CCNC(=O)NCC2(C#N)CC2)CC1 ZINC000515745012 373795486 /nfs/dbraw/zinc/79/54/86/373795486.db2.gz UJQPZIKBFOLLPR-UHFFFAOYSA-N 1 0 293.371 -0.247 20 30 CBEDRO N#CC1(C[C@H](O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000528394819 373949099 /nfs/dbraw/zinc/94/90/99/373949099.db2.gz JMJUZNFAYLWYEZ-MNOVXSKESA-N 1 0 264.329 -0.249 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529339576 374006311 /nfs/dbraw/zinc/00/63/11/374006311.db2.gz FLCXRSCSTVOUDC-TUAOUCFPSA-N 1 0 269.345 -0.135 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000251845364 220242696 /nfs/dbraw/zinc/24/26/96/220242696.db2.gz QXIRYMAOICSYBZ-OUAUKWLOSA-N 1 0 252.314 -0.135 20 30 CBEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261659795 220243667 /nfs/dbraw/zinc/24/36/67/220243667.db2.gz BBACECUVVGOROB-VHSXEESVSA-N 1 0 292.405 -0.793 20 30 CBEDRO C#CCNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261616598 220244078 /nfs/dbraw/zinc/24/40/78/220244078.db2.gz AWBHPUXWTFCFDV-UHFFFAOYSA-N 1 0 274.328 -0.723 20 30 CBEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)NC[C@@]1(C)CCCO1 ZINC000261742309 220244129 /nfs/dbraw/zinc/24/41/29/220244129.db2.gz KUKNXHBOMRNAAT-CYBMUJFWSA-N 1 0 297.359 -0.728 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)N(C)C[C@@H]1CCOC1 ZINC000261643791 220244133 /nfs/dbraw/zinc/24/41/33/220244133.db2.gz LGYBOOYBRVDYJE-ZDUSSCGKSA-N 1 0 284.404 -0.138 20 30 CBEDRO CC[C@@H](C)NC(=[NH2+])NCC1(C(N)=O)CCOCC1 ZINC000261771105 220244157 /nfs/dbraw/zinc/24/41/57/220244157.db2.gz MSDONNBPQJDRMV-SECBINFHSA-N 1 0 256.350 -0.029 20 30 CBEDRO [NH2+]=C(NCCC(=O)N1CCOCC1)NC[C@@H]1CCCO1 ZINC000261724013 220244203 /nfs/dbraw/zinc/24/42/03/220244203.db2.gz GIQPREMLDGIUTQ-NSHDSACASA-N 1 0 284.360 -0.681 20 30 CBEDRO C[NH+]=C(NCCS(C)(=O)=O)N(C)Cc1ccon1 ZINC000261782815 220244340 /nfs/dbraw/zinc/24/43/40/220244340.db2.gz PNRZNAOZTNQYFS-UHFFFAOYSA-N 1 0 274.346 -0.274 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261983375 220246103 /nfs/dbraw/zinc/24/61/03/220246103.db2.gz PKFNQKGXHQKNTQ-LLVKDONJSA-N 1 0 291.355 -0.144 20 30 CBEDRO C=CCNC(=[NH+]C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261955245 220246174 /nfs/dbraw/zinc/24/61/74/220246174.db2.gz IOOVEXJWTQXCED-UHFFFAOYSA-N 1 0 281.404 -0.156 20 30 CBEDRO C=CCNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000261840710 220246223 /nfs/dbraw/zinc/24/62/23/220246223.db2.gz LOXBLQARVFAMPT-VIFPVBQESA-N 1 0 260.363 -0.642 20 30 CBEDRO CC(C)NC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261916524 220246688 /nfs/dbraw/zinc/24/66/88/220246688.db2.gz UNMOHCUYIYWCGT-SECBINFHSA-N 1 0 262.379 -0.419 20 30 CBEDRO C[C@H]1CCCN(C(=[NH2+])NCCNS(C)(=O)=O)C1 ZINC000261995628 220246711 /nfs/dbraw/zinc/24/67/11/220246711.db2.gz NPBZTNWEGHJQCT-VIFPVBQESA-N 1 0 262.379 -0.418 20 30 CBEDRO [NH2+]=C(NCc1nnc2n1CCCC2)N1CCOCC1 ZINC000261999315 220246770 /nfs/dbraw/zinc/24/67/70/220246770.db2.gz PBTVLAKIMSPECO-UHFFFAOYSA-N 1 0 264.333 -0.239 20 30 CBEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)NC[C@H]1CCCS1 ZINC000261964963 220246877 /nfs/dbraw/zinc/24/68/77/220246877.db2.gz LDSHTFDQGARYOD-SECBINFHSA-N 1 0 299.400 -0.401 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000261870978 220246939 /nfs/dbraw/zinc/24/69/39/220246939.db2.gz ZPRJWJHJKGAEJH-SNVBAGLBSA-N 1 0 298.387 -0.029 20 30 CBEDRO [NH2+]=C(NC[C@H]1CCCCS1(=O)=O)N1CCOCC1 ZINC000262205799 220247443 /nfs/dbraw/zinc/24/74/43/220247443.db2.gz IBAVHXKBUVJLMS-SNVBAGLBSA-N 1 0 275.374 -0.399 20 30 CBEDRO COc1ccc(NC(=[NH2+])NCCN2CCNC(=O)C2)cc1 ZINC000262210100 220247465 /nfs/dbraw/zinc/24/74/65/220247465.db2.gz JPTGXBNKWYFUCV-UHFFFAOYSA-N 1 0 291.355 -0.146 20 30 CBEDRO [NH2+]=C(NC[C@H]1COC2(CCOCC2)O1)NC1CC1 ZINC000262175388 220247595 /nfs/dbraw/zinc/24/75/95/220247595.db2.gz PMRQWWSBXAZNHB-JTQLQIEISA-N 1 0 255.318 -0.025 20 30 CBEDRO COc1cccc(NC(=[NH2+])NCCNS(C)(=O)=O)c1 ZINC000262025981 220247632 /nfs/dbraw/zinc/24/76/32/220247632.db2.gz ZJXNHTVMWLXGQP-UHFFFAOYSA-N 1 0 286.357 -0.029 20 30 CBEDRO CCC(=O)N1CC[C@@H](NC(NCCn2cncn2)=[NH+]C)C1 ZINC000262014502 220247668 /nfs/dbraw/zinc/24/76/68/220247668.db2.gz XLZHTOJWVJSEHG-LLVKDONJSA-N 1 0 293.375 -0.546 20 30 CBEDRO CN(C(=[NH2+])NCCNS(=O)(=O)c1cccnc1)C1CC1 ZINC000262186787 220247702 /nfs/dbraw/zinc/24/77/02/220247702.db2.gz FMJAHHJEVCVROD-UHFFFAOYSA-N 1 0 297.384 -0.231 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262009566 220247835 /nfs/dbraw/zinc/24/78/35/220247835.db2.gz HGHBBIPESNCEMO-GFCCVEGCSA-N 1 0 253.346 -0.305 20 30 CBEDRO COCCNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262246518 220248086 /nfs/dbraw/zinc/24/80/86/220248086.db2.gz OXLHLDLLWPTHIC-VIFPVBQESA-N 1 0 263.363 -0.496 20 30 CBEDRO C[NH+]=C(N[C@H]1CCc2nc(COC)nn2C1)N(C)C ZINC000262021391 220248098 /nfs/dbraw/zinc/24/80/98/220248098.db2.gz YVUDJXSKONLIBA-VIFPVBQESA-N 1 0 266.349 -0.124 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000262172007 220248476 /nfs/dbraw/zinc/24/84/76/220248476.db2.gz CQEDVOZMVURNDH-UHFFFAOYSA-N 1 0 277.415 -0.049 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)CCO1 ZINC000262304811 220249134 /nfs/dbraw/zinc/24/91/34/220249134.db2.gz AEFJGCJNHGUFBM-UTUOFQBUSA-N 1 0 298.387 -0.342 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1ccnn1C ZINC000262270903 220249168 /nfs/dbraw/zinc/24/91/68/220249168.db2.gz USQFEPAGLPZUPD-UHFFFAOYSA-N 1 0 252.322 -0.827 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC2(S(C)(=O)=O)CC2)CCO1 ZINC000262304717 220249527 /nfs/dbraw/zinc/24/95/27/220249527.db2.gz ACXOYXUMPKZIGN-VIFPVBQESA-N 1 0 275.374 -0.401 20 30 CBEDRO [NH2+]=C(NCC(=O)NCC1CC1)N1CCSCC1 ZINC000262335521 220249586 /nfs/dbraw/zinc/24/95/86/220249586.db2.gz WWDVWVHGJQZTHO-UHFFFAOYSA-N 1 0 256.375 -0.124 20 30 CBEDRO C[NH+]=C(NCc1c[nH]nc1C)NC[C@@H](O)c1cnn(C)c1 ZINC000262314067 220249936 /nfs/dbraw/zinc/24/99/36/220249936.db2.gz BVXOLCYXFZERLS-GFCCVEGCSA-N 1 0 291.359 -0.150 20 30 CBEDRO C#CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]CC ZINC000262467293 220251074 /nfs/dbraw/zinc/25/10/74/220251074.db2.gz YLTXZKVTIYMBGK-SNVBAGLBSA-N 1 0 257.359 -0.391 20 30 CBEDRO COC(=O)c1cn(CCNC2=[NH+]C[C@H](C)N2)nn1 ZINC000262481060 220251129 /nfs/dbraw/zinc/25/11/29/220251129.db2.gz CYIZYUXQXTZCDO-ZETCQYMHSA-N 1 0 252.278 -0.998 20 30 CBEDRO C[C@@H]1C[NH+]=C(NCc2ccc(S(N)(=O)=O)s2)N1 ZINC000262474337 220251184 /nfs/dbraw/zinc/25/11/84/220251184.db2.gz 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265.357 -0.733 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000667911094 544678182 /nfs/dbraw/zinc/67/81/82/544678182.db2.gz CYSAYUXKWBIKFE-IUODEOHRSA-N 1 0 295.383 -0.136 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000668233921 544689600 /nfs/dbraw/zinc/68/96/00/544689600.db2.gz RMSCBNIKUXDAOZ-OAHLLOKOSA-N 1 0 297.399 -0.064 20 30 CBEDRO C=CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649493543 419915942 /nfs/dbraw/zinc/91/59/42/419915942.db2.gz QQTWVEIJTVJRLZ-UHFFFAOYSA-N 1 0 254.334 -0.412 20 30 CBEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000668503428 544704924 /nfs/dbraw/zinc/70/49/24/544704924.db2.gz KARRXNOYTWYZHM-LBPRGKRZSA-N 1 0 283.372 -0.408 20 30 CBEDRO C=C[C@H](O)C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000668675190 544715898 /nfs/dbraw/zinc/71/58/98/544715898.db2.gz ZQBPGADOEZTYCA-RYUDHWBXSA-N 1 0 255.362 -0.325 20 30 CBEDRO C=C[C@@H](O)C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000668695162 544716572 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C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650309009 419953107 /nfs/dbraw/zinc/95/31/07/419953107.db2.gz DEMDIKCRYOSCSN-OLZOCXBDSA-N 1 0 295.383 -0.190 20 30 CBEDRO C=CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652726548 420080425 /nfs/dbraw/zinc/08/04/25/420080425.db2.gz AUHJXGVRZQWHEC-GHMZBOCLSA-N 1 0 269.345 -0.547 20 30 CBEDRO C=CCCn1cc(CN2C[C@H](O)C[C@H]2CO)nn1 ZINC000653594526 420153426 /nfs/dbraw/zinc/15/34/26/420153426.db2.gz YAEUGESZNRWBNA-NWDGAFQWSA-N 1 0 252.318 -0.218 20 30 CBEDRO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369271483 420154775 /nfs/dbraw/zinc/15/47/75/420154775.db2.gz RFXZXBXNSBBWTJ-MJBXVCDLSA-N 1 0 279.384 -0.345 20 30 CBEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000408068304 420231206 /nfs/dbraw/zinc/23/12/06/420231206.db2.gz SWQAWHSDBCNBNW-NXEZZACHSA-N 1 0 291.355 -0.516 20 30 CBEDRO C=C(C)CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000427037984 420266500 /nfs/dbraw/zinc/26/65/00/420266500.db2.gz 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QJMZQDSDERVPKZ-GFCCVEGCSA-N 1 0 259.350 -0.199 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659648357 420443043 /nfs/dbraw/zinc/44/30/43/420443043.db2.gz SFYIOQZRSQCPPC-GFCCVEGCSA-N 1 0 297.403 -0.776 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659648358 420443386 /nfs/dbraw/zinc/44/33/86/420443386.db2.gz SFYIOQZRSQCPPC-LBPRGKRZSA-N 1 0 297.403 -0.776 20 30 CBEDRO C=CCNc1ncc(C(=O)N2CCN(C)C[C@H]2C[NH3+])s1 ZINC000567829993 420449124 /nfs/dbraw/zinc/44/91/24/420449124.db2.gz BMLCOAZBKJTVGK-SNVBAGLBSA-N 1 0 295.412 0.456 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659709128 420454359 /nfs/dbraw/zinc/45/43/59/420454359.db2.gz FWOLBVVORYYONU-LLVKDONJSA-N 1 0 269.345 -0.437 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659713539 420456218 /nfs/dbraw/zinc/45/62/18/420456218.db2.gz REQZIYCBRCLUHF-LBPRGKRZSA-N 1 0 283.372 -0.189 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659722648 420459562 /nfs/dbraw/zinc/45/95/62/420459562.db2.gz FLUFIAZZBNLTNC-GFCCVEGCSA-N 1 0 299.371 -0.810 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659725906 420460034 /nfs/dbraw/zinc/46/00/34/420460034.db2.gz ANHBMBZKXOHOSR-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCNc1ncc(C(=O)NC[C@H]2C[NH2+]CCN2C)s1 ZINC000574571781 420460542 /nfs/dbraw/zinc/46/05/42/420460542.db2.gz OHKNZYQVGLRDRA-SNVBAGLBSA-N 1 0 295.412 0.374 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000659734440 420462402 /nfs/dbraw/zinc/46/24/02/420462402.db2.gz FETAOELJBPFBNV-LLVKDONJSA-N 1 0 269.345 -0.484 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659737589 420463036 /nfs/dbraw/zinc/46/30/36/420463036.db2.gz WRYVROFQWCMBKG-OLZOCXBDSA-N 1 0 295.383 -0.094 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659737390 420463614 /nfs/dbraw/zinc/46/36/14/420463614.db2.gz VCXWCSDHINRPAK-NWDGAFQWSA-N 1 0 299.371 -0.730 20 30 CBEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNc2ccc(C#N)cn2)C1 ZINC000590446142 420477831 /nfs/dbraw/zinc/47/78/31/420477831.db2.gz SAHDWNYNBYHTHW-STQMWFEESA-N 1 0 285.351 0.528 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000595229814 420486401 /nfs/dbraw/zinc/48/64/01/420486401.db2.gz OSLVLNAESKZCLS-VIFPVBQESA-N 1 0 250.306 0.526 20 30 CBEDRO C[NH2+]C[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000595276012 420486837 /nfs/dbraw/zinc/48/68/37/420486837.db2.gz VDXULLHLSPXJMR-SECBINFHSA-N 1 0 293.375 0.045 20 30 CBEDRO N#Cc1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000599130277 420490894 /nfs/dbraw/zinc/49/08/94/420490894.db2.gz QJWWMNOKRMZEDN-NSHDSACASA-N 1 0 274.328 0.100 20 30 CBEDRO CCc1nc(C#N)cc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599199424 420491851 /nfs/dbraw/zinc/49/18/51/420491851.db2.gz KJJMVBHJMDXQOA-NSHDSACASA-N 1 0 261.329 0.389 20 30 CBEDRO N#Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599201842 420491910 /nfs/dbraw/zinc/49/19/10/420491910.db2.gz KOLZNPWCROLSHR-NSHDSACASA-N 1 0 277.284 0.340 20 30 CBEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599939254 420492125 /nfs/dbraw/zinc/49/21/25/420492125.db2.gz UGCGBDZKARTYNA-SECBINFHSA-N 1 0 291.359 -0.201 20 30 CBEDRO N#Cc1nccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000517586875 260196538 /nfs/dbraw/zinc/19/65/38/260196538.db2.gz XLSZZUTWXNOKGT-NSHDSACASA-N 1 0 288.355 -0.231 20 30 CBEDRO C#CCN(C)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000394255240 260244745 /nfs/dbraw/zinc/24/47/45/260244745.db2.gz FKUSWINRMRJTIJ-AWEZNQCLSA-N 1 0 269.389 -0.776 20 30 CBEDRO CCn1cc(C#N)c(=O)n(C[C@H](O)C[N@H+](C)C(C)C)c1=O ZINC000517760085 260250212 /nfs/dbraw/zinc/25/02/12/260250212.db2.gz ZNYACVRIPGVUEO-GFCCVEGCSA-N 1 0 294.355 -0.397 20 30 CBEDRO C=CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000237881849 260711114 /nfs/dbraw/zinc/71/11/14/260711114.db2.gz XDRGOPKNBMCMIF-LLVKDONJSA-N 1 0 289.401 -0.321 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000490798957 261211459 /nfs/dbraw/zinc/21/14/59/261211459.db2.gz ACUFYXFGYSKQEG-LLVKDONJSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000490933557 261252606 /nfs/dbraw/zinc/25/26/06/261252606.db2.gz DPSMIQPAZYPEFG-UHFFFAOYSA-N 1 0 280.372 -0.993 20 30 CBEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](COC)C2CC2)CC1 ZINC000490933880 261253076 /nfs/dbraw/zinc/25/30/76/261253076.db2.gz GSMGSMGBWMVRNL-CQSZACIVSA-N 1 0 279.384 -0.222 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H](O)COC ZINC000491266082 261393398 /nfs/dbraw/zinc/39/33/98/261393398.db2.gz NMFCBZFGILJLAT-GFCCVEGCSA-N 1 0 271.361 -0.362 20 30 CBEDRO C#C[C@H]1COCCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000491779966 262041891 /nfs/dbraw/zinc/04/18/91/262041891.db2.gz DCSVZDLYIXNQSD-LBPRGKRZSA-N 1 0 272.370 -0.254 20 30 CBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000491553489 264243710 /nfs/dbraw/zinc/24/37/10/264243710.db2.gz AIRXYXCQMIVWSJ-STQMWFEESA-N 1 0 260.293 -0.118 20 30 CBEDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc(C#N)nc2)C1 ZINC000529036125 264271993 /nfs/dbraw/zinc/27/19/93/264271993.db2.gz OSPNZGAMXXXQET-AWEZNQCLSA-N 1 0 274.324 -0.321 20 30 CBEDRO N#Cc1cncc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528055967 264285573 /nfs/dbraw/zinc/28/55/73/264285573.db2.gz JOQLGCGHUNGMRL-UHFFFAOYSA-N 1 0 296.352 -0.261 20 30 CBEDRO Cn1c(C#N)ccc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000519178323 265354775 /nfs/dbraw/zinc/35/47/75/265354775.db2.gz HMRVEIXMFWSYQU-RYUDHWBXSA-N 1 0 262.313 -0.356 20 30 CBEDRO C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1[NH+](C)C ZINC000268208182 274360360 /nfs/dbraw/zinc/36/03/60/274360360.db2.gz HVGOBOTVOJLTHO-KOLCDFICSA-N 1 0 291.355 -0.658 20 30 CBEDRO C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000262773661 275405298 /nfs/dbraw/zinc/40/52/98/275405298.db2.gz INIUSMFJXZMTRY-NSHDSACASA-N 1 0 292.387 -0.019 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419945546 275425909 /nfs/dbraw/zinc/42/59/09/275425909.db2.gz JZZUBQGEDCSZEY-LLVKDONJSA-N 1 0 271.361 -0.381 20 30 CBEDRO C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262773659 275732841 /nfs/dbraw/zinc/73/28/41/275732841.db2.gz INIUSMFJXZMTRY-LLVKDONJSA-N 1 0 292.387 -0.019 20 30 CBEDRO CCN(CC)C(=[NH2+])NCCn1cc(C(=O)OC)nn1 ZINC000284085051 276316416 /nfs/dbraw/zinc/31/64/16/276316416.db2.gz RHRRRRNLZRPZFS-UHFFFAOYSA-N 1 0 268.321 -0.279 20 30 CBEDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424546261 277038156 /nfs/dbraw/zinc/03/81/56/277038156.db2.gz MNXSFBCHHWRFPR-LPEHRKFASA-N 1 0 252.318 -0.481 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184801207 277692493 /nfs/dbraw/zinc/69/24/93/277692493.db2.gz PTTJQERPRBHIGO-OUAUKWLOSA-N 1 0 251.330 -0.242 20 30 CBEDRO CNC(=O)NC1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000328698189 277754311 /nfs/dbraw/zinc/75/43/11/277754311.db2.gz UXXOYJDGJRWTAJ-SNVBAGLBSA-N 1 0 284.360 -0.701 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193564518 277866788 /nfs/dbraw/zinc/86/67/88/277866788.db2.gz 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C#Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000863323181 583838389 /nfs/dbraw/zinc/83/83/89/583838389.db2.gz FXQJJTJJFGIZHQ-GFCCVEGCSA-N 1 0 259.309 -0.141 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000863486224 583843512 /nfs/dbraw/zinc/84/35/12/583843512.db2.gz WZWUNVKXQPJKSS-SNVBAGLBSA-N 1 0 255.318 -0.793 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000863572461 583847335 /nfs/dbraw/zinc/84/73/35/583847335.db2.gz OFSSTDQAFHQKFO-NSHDSACASA-N 1 0 250.298 -0.023 20 30 CBEDRO CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000863587988 583847912 /nfs/dbraw/zinc/84/79/12/583847912.db2.gz XRYBFPIWIXBTID-QWRGUYRKSA-N 1 0 272.349 -0.809 20 30 CBEDRO C#CC[C@@H](CCOC)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000863785069 583856646 /nfs/dbraw/zinc/85/66/46/583856646.db2.gz YNUZOMQVMMAPNR-UONOGXRCSA-N 1 0 279.384 -0.079 20 30 CBEDRO C#CCN(CC)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866590814 583924945 /nfs/dbraw/zinc/92/49/45/583924945.db2.gz ZWJKBUFZBJGLTP-UHFFFAOYSA-N 1 0 287.429 -0.091 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866721415 583928831 /nfs/dbraw/zinc/92/88/31/583928831.db2.gz MGGGXOOMDHNNCX-WDEREUQCSA-N 1 0 266.345 -0.176 20 30 CBEDRO C#CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866785617 583932862 /nfs/dbraw/zinc/93/28/62/583932862.db2.gz YKPXEPWZTYIVIC-UHFFFAOYSA-N 1 0 273.402 -0.433 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(C#N)CCCOC1 ZINC000866921571 583936907 /nfs/dbraw/zinc/93/69/07/583936907.db2.gz XZJQOMDPBDXRGW-CHWSQXEVSA-N 1 0 269.345 -0.264 20 30 CBEDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(C#N)CCCOC1 ZINC000866921572 583937016 /nfs/dbraw/zinc/93/70/16/583937016.db2.gz XZJQOMDPBDXRGW-OLZOCXBDSA-N 1 0 269.345 -0.264 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCNC1=O ZINC000868582083 583982057 /nfs/dbraw/zinc/98/20/57/583982057.db2.gz RRXBPIOJYMHELA-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)OC ZINC000868845134 583987642 /nfs/dbraw/zinc/98/76/42/583987642.db2.gz 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584100163 /nfs/dbraw/zinc/10/01/63/584100163.db2.gz ZXQWOKQLZXBTKN-STQMWFEESA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000875487201 584106446 /nfs/dbraw/zinc/10/64/46/584106446.db2.gz PWECYYYTDLPQKE-LBPRGKRZSA-N 1 0 283.372 -0.219 20 30 CBEDRO C#C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCO1 ZINC000875507540 584107317 /nfs/dbraw/zinc/10/73/17/584107317.db2.gz YUMHPLCGXSFLEY-UPJWGTAASA-N 1 0 281.356 -0.467 20 30 CBEDRO C#CC[C@H](CCOC)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000875595919 584109192 /nfs/dbraw/zinc/10/91/92/584109192.db2.gz GNPSGHGTTUEMOY-CYBMUJFWSA-N 1 0 297.399 -0.059 20 30 CBEDRO C#CC[C@H](COC)NC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000875604419 584110523 /nfs/dbraw/zinc/11/05/23/584110523.db2.gz NQRBBHGXDZZJJN-CYBMUJFWSA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CC[C@@H](COC)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000875604609 584110560 /nfs/dbraw/zinc/11/05/60/584110560.db2.gz QFDRLDZFGDSPIC-LBPRGKRZSA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CC[C@H](COC)NC(=O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000875604682 584110588 /nfs/dbraw/zinc/11/05/88/584110588.db2.gz RKBVFFDOAZKHBH-CYBMUJFWSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)[C@H]1CCCO1 ZINC000875623462 584111869 /nfs/dbraw/zinc/11/18/69/584111869.db2.gz QMYNNHVISDWEFB-CHWSQXEVSA-N 1 0 283.372 -0.219 20 30 CBEDRO C#CC[C@H](CCOC)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000875916177 584119800 /nfs/dbraw/zinc/11/98/00/584119800.db2.gz CJWZJTZGTRYZJS-TZMCWYRMSA-N 1 0 283.372 -0.219 20 30 CBEDRO C=CCOCC(=O)N1CCOC[C@@]1(COC)C[NH+](C)C ZINC000876472610 584127486 /nfs/dbraw/zinc/12/74/86/584127486.db2.gz MNCNGOFMTBTLJE-AWEZNQCLSA-N 1 0 286.372 -0.005 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000876634718 584136096 /nfs/dbraw/zinc/13/60/96/584136096.db2.gz ZPFKWJCXGYLOBX-SFYZADRCSA-N 1 0 261.709 -0.831 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000876672033 584138533 /nfs/dbraw/zinc/13/85/33/584138533.db2.gz 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584146340 /nfs/dbraw/zinc/14/63/40/584146340.db2.gz NXUDZEJJYPMKCA-IONNQARKSA-N 1 0 253.693 -0.236 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c[nH]c1=O ZINC000876801842 584146432 /nfs/dbraw/zinc/14/64/32/584146432.db2.gz JQRZGKGGDIMWSF-IMTBSYHQSA-N 1 0 250.233 -0.232 20 30 CBEDRO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876802219 584146443 /nfs/dbraw/zinc/14/64/43/584146443.db2.gz NAQREHHYOWDRIU-WOPDTQHZSA-N 1 0 266.345 -0.235 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c[nH]c1=O ZINC000876801841 584146465 /nfs/dbraw/zinc/14/64/65/584146465.db2.gz JQRZGKGGDIMWSF-HZGVNTEJSA-N 1 0 250.233 -0.232 20 30 CBEDRO Cn1c(Cl)ncc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802515 584146734 /nfs/dbraw/zinc/14/67/34/584146734.db2.gz PWOZKLIPFDMBMV-BQBZGAKWSA-N 1 0 253.693 -0.085 20 30 CBEDRO COc1ccnc(OC)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876802969 584146775 /nfs/dbraw/zinc/14/67/75/584146775.db2.gz SYPGOMCIBWEJER-BDAKNGLRSA-N 1 0 276.296 -0.060 20 30 CBEDRO CC(C)C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCNC1=O ZINC000876802621 584146777 /nfs/dbraw/zinc/14/67/77/584146777.db2.gz RFYPZAAUJBMUIP-JTNHKYCSSA-N 1 0 278.356 -0.233 20 30 CBEDRO COc1ccc(COCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000876803931 584146972 /nfs/dbraw/zinc/14/69/72/584146972.db2.gz ZOXLJRIWTMCPPS-RYUDHWBXSA-N 1 0 290.323 -0.165 20 30 CBEDRO C=CCNC(=O)CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876882974 584153163 /nfs/dbraw/zinc/15/31/63/584153163.db2.gz WWFXVNKWECDZKN-ISALQUGTSA-N 1 0 251.330 -0.039 20 30 CBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000876901314 584154186 /nfs/dbraw/zinc/15/41/86/584154186.db2.gz CEUCWUUKGXULSG-AEJSXWLSSA-N 1 0 290.747 -0.019 20 30 CBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000876960980 584158324 /nfs/dbraw/zinc/15/83/24/584158324.db2.gz BTTSRCBNIKEAKD-CIUDSAMLSA-N 1 0 296.776 -0.616 20 30 CBEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000877034393 584162734 /nfs/dbraw/zinc/16/27/34/584162734.db2.gz GXJGROWYTIABRA-NXEZZACHSA-N 1 0 261.753 -0.097 20 30 CBEDRO CN1CCOC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877034739 584162755 /nfs/dbraw/zinc/16/27/55/584162755.db2.gz ORNSMEDOXKWPPV-ZDUSSCGKSA-N 1 0 265.357 -0.564 20 30 CBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC000877034396 584162784 /nfs/dbraw/zinc/16/27/84/584162784.db2.gz GXJGROWYTIABRA-ZJUUUORDSA-N 1 0 261.753 -0.097 20 30 CBEDRO CN(CCc1cccc(C#N)c1)C(=O)CNC(=O)C[NH3+] ZINC000877223325 584170936 /nfs/dbraw/zinc/17/09/36/584170936.db2.gz DVQJOWVOOSXOMT-UHFFFAOYSA-N 1 0 274.324 -0.366 20 30 CBEDRO N#Cc1ncn(CC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000877340172 584179298 /nfs/dbraw/zinc/17/92/98/584179298.db2.gz JTTCTKFRBSPQID-ZDUSSCGKSA-N 1 0 296.334 -0.020 20 30 CBEDRO C=C[C@H](CO)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877641059 584183838 /nfs/dbraw/zinc/18/38/38/584183838.db2.gz VLVYCMYDHMLIKK-SNVBAGLBSA-N 1 0 256.327 -0.030 20 30 CBEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 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278.356 -0.081 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000916882892 657792467 /nfs/dbraw/zinc/79/24/67/657792467.db2.gz MFRWTHGZDUQOGQ-AWEZNQCLSA-N 1 0 294.399 -0.286 20 30 CBEDRO C#CC[C@H](CO)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000917220927 657803371 /nfs/dbraw/zinc/80/33/71/657803371.db2.gz JWHKGYQEVCMASU-CHWSQXEVSA-N 1 0 282.388 -0.694 20 30 CBEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001018586535 657823661 /nfs/dbraw/zinc/82/36/61/657823661.db2.gz ULXIVCDJBITCLL-VIFPVBQESA-N 1 0 280.777 -0.026 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001018683342 657838527 /nfs/dbraw/zinc/83/85/27/657838527.db2.gz ZSGPKWJEJODBEW-VIFPVBQESA-N 1 0 261.285 -0.824 20 30 CBEDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1)C(N)=O ZINC001018722647 657840946 /nfs/dbraw/zinc/84/09/46/657840946.db2.gz AEEBPMWTWKJLJK-QWRGUYRKSA-N 1 0 289.339 -0.046 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001018743838 657841646 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C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001028918835 799180430 /nfs/dbraw/zinc/18/04/30/799180430.db2.gz NAFLTPLFBKGJES-OLZOCXBDSA-N 1 0 292.383 -0.009 20 30 CBEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001028990450 799183951 /nfs/dbraw/zinc/18/39/51/799183951.db2.gz JMLNJURIFUWFQS-WDEREUQCSA-N 1 0 287.385 -0.698 20 30 CBEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028993324 799184064 /nfs/dbraw/zinc/18/40/64/799184064.db2.gz BHPFKXXDLJMEDP-UONOGXRCSA-N 1 0 295.383 -0.142 20 30 CBEDRO C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001028993325 799184484 /nfs/dbraw/zinc/18/44/84/799184484.db2.gz BHPFKXXDLJMEDP-ZIAGYGMSSA-N 1 0 295.383 -0.142 20 30 CBEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001029008348 799186369 /nfs/dbraw/zinc/18/63/69/799186369.db2.gz ZFRGISYMKIUUEH-LBPRGKRZSA-N 1 0 290.367 -0.201 20 30 CBEDRO C#CCN1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030347022 799300452 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ZINC001031665158 799530424 /nfs/dbraw/zinc/53/04/24/799530424.db2.gz WNYFVGRYXPVNQM-UHFFFAOYSA-N 1 0 279.344 -0.228 20 30 CBEDRO N#CCN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675877 799531875 /nfs/dbraw/zinc/53/18/75/799531875.db2.gz VHLJWPCRWSDCLQ-CYBMUJFWSA-N 1 0 262.357 -0.100 20 30 CBEDRO CC#CCN1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689321 799533962 /nfs/dbraw/zinc/53/39/62/799533962.db2.gz SPFPWSOGSHZTEW-CABCVRRESA-N 1 0 291.395 -0.079 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031744994 799539562 /nfs/dbraw/zinc/53/95/62/799539562.db2.gz ZYYYRFKTSCWRLI-LLVKDONJSA-N 1 0 251.330 -0.253 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001031796481 799544656 /nfs/dbraw/zinc/54/46/56/799544656.db2.gz LOSAHDJDVPCCQU-ZDUSSCGKSA-N 1 0 267.373 -0.059 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001031817179 799548185 /nfs/dbraw/zinc/54/81/85/799548185.db2.gz SLOBHIDGLYEPRH-UHFFFAOYSA-N 1 0 288.351 -0.191 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001031826236 799549989 /nfs/dbraw/zinc/54/99/89/799549989.db2.gz FUKGOXBQYKFBJJ-CYBMUJFWSA-N 1 0 292.383 -0.152 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001031844789 799550969 /nfs/dbraw/zinc/55/09/69/799550969.db2.gz ZOGOKQPENWDOOU-UHFFFAOYSA-N 1 0 272.312 -0.028 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862488 799551935 /nfs/dbraw/zinc/55/19/35/799551935.db2.gz DREZUCBGXWLFJJ-UHFFFAOYSA-N 1 0 274.324 -0.535 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031899633 799557709 /nfs/dbraw/zinc/55/77/09/799557709.db2.gz DTGKXYZXNNOGGT-SNVBAGLBSA-N 1 0 252.318 -0.756 20 30 CBEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC#N)C2)C1 ZINC001031919762 799563394 /nfs/dbraw/zinc/56/33/94/799563394.db2.gz HMSCXPFUMNJMJQ-ZDUSSCGKSA-N 1 0 280.372 -0.333 20 30 CBEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031940654 799564323 /nfs/dbraw/zinc/56/43/23/799564323.db2.gz XKXKIQJKGBNYOI-JTQLQIEISA-N 1 0 252.318 -0.708 20 30 CBEDRO C#CCC[NH+]1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001031951730 799565191 /nfs/dbraw/zinc/56/51/91/799565191.db2.gz VRVSZALELZXFEG-UHFFFAOYSA-N 1 0 262.313 -0.189 20 30 CBEDRO C=CCC[NH+]1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031942818 799565273 /nfs/dbraw/zinc/56/52/73/799565273.db2.gz SOCXDKRFZOHERV-SNVBAGLBSA-N 1 0 252.318 -0.708 20 30 CBEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(CC#N)C1 ZINC001031979181 799567955 /nfs/dbraw/zinc/56/79/55/799567955.db2.gz ZIWCOFHWNQIXPE-PWSUYJOCSA-N 1 0 250.346 -0.244 20 30 CBEDRO C=CCn1cc(C(=O)NCC2C[NH+](CCOC)C2)nn1 ZINC001032035184 799573904 /nfs/dbraw/zinc/57/39/04/799573904.db2.gz PVRQOOATZRWLLR-UHFFFAOYSA-N 1 0 279.344 -0.228 20 30 CBEDRO C#CCN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043640 799575198 /nfs/dbraw/zinc/57/51/98/799575198.db2.gz KRTUSJTVLURUIE-UHFFFAOYSA-N 1 0 289.383 -0.261 20 30 CBEDRO C=CC[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032079129 799580101 /nfs/dbraw/zinc/58/01/01/799580101.db2.gz 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C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1cc(F)c[nH]1 ZINC001321588221 803787381 /nfs/dbraw/zinc/78/73/81/803787381.db2.gz HZQGPGWVEMQLKZ-MRVPVSSYSA-N 1 0 281.291 -0.499 20 30 CBEDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001321604356 803789047 /nfs/dbraw/zinc/78/90/47/803789047.db2.gz FXNZDLUMBKGHQA-UHFFFAOYSA-N 1 0 278.316 -0.635 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)[C@H]1CCCO1 ZINC001149054073 814966023 /nfs/dbraw/zinc/96/60/23/814966023.db2.gz FVKWQADTAWEVHT-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO CC[C@@H](F)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321618132 803791647 /nfs/dbraw/zinc/79/16/47/803791647.db2.gz UHIRAJGAGOAEDA-RKDXNWHRSA-N 1 0 258.297 -0.531 20 30 CBEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001321616910 803791891 /nfs/dbraw/zinc/79/18/91/803791891.db2.gz INGRWLRUVRAGRI-SECBINFHSA-N 1 0 284.360 -0.252 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCCS(C)(=O)=O ZINC001321672901 803799303 /nfs/dbraw/zinc/79/93/03/803799303.db2.gz 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CBEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001149097983 814970192 /nfs/dbraw/zinc/97/01/92/814970192.db2.gz GYVLNKRPMCCMLS-OCCSQVGLSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149105153 814970351 /nfs/dbraw/zinc/97/03/51/814970351.db2.gz UCEMSJGQKDQVNE-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)Nc1cnn(CC(N)=O)c1 ZINC001321980036 803847507 /nfs/dbraw/zinc/84/75/07/803847507.db2.gz PFMDWDBVTRUBKP-UHFFFAOYSA-N 1 0 251.290 -0.575 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)c1 ZINC001321981477 803848572 /nfs/dbraw/zinc/84/85/72/803848572.db2.gz SQKYDFMRWNDKPG-JTQLQIEISA-N 1 0 274.324 -0.483 20 30 CBEDRO C=CC[NH2+]C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001322073562 803856601 /nfs/dbraw/zinc/85/66/01/803856601.db2.gz ODTNDHDXZYDEPH-QMMMGPOBSA-N 1 0 266.301 -0.620 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)Cc1nc(C2CC2)nn1C ZINC001322082824 803857137 /nfs/dbraw/zinc/85/71/37/803857137.db2.gz 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C[C@H](C#N)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001124889105 813496662 /nfs/dbraw/zinc/49/66/62/813496662.db2.gz PJMQIIXWXJKYPP-SNVBAGLBSA-N 1 0 266.345 -0.232 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001124889849 813496783 /nfs/dbraw/zinc/49/67/83/813496783.db2.gz UPNGTPPPGKLQCS-JTQLQIEISA-N 1 0 278.312 -0.239 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124889636 813496943 /nfs/dbraw/zinc/49/69/43/813496943.db2.gz SDVQKJJJOWXPTP-LLVKDONJSA-N 1 0 279.344 -0.386 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001124895187 813497803 /nfs/dbraw/zinc/49/78/03/813497803.db2.gz FHIILRKKGLMTAN-NXEZZACHSA-N 1 0 252.318 -0.527 20 30 CBEDRO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C#N)C1=O ZINC001124902367 813497820 /nfs/dbraw/zinc/49/78/20/813497820.db2.gz IZSHOCGQCGCVQH-VHSXEESVSA-N 1 0 252.318 -0.527 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001124897695 813498757 /nfs/dbraw/zinc/49/87/57/813498757.db2.gz 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813501473 /nfs/dbraw/zinc/50/14/73/813501473.db2.gz QRTGABHBNXRNJF-SFYZADRCSA-N 1 0 294.277 -0.081 20 30 CBEDRO CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908927 813501540 /nfs/dbraw/zinc/50/15/40/813501540.db2.gz VKJQCYKEPXLKLO-NWDGAFQWSA-N 1 0 298.387 -0.217 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(F)nc1 ZINC001124930753 813503209 /nfs/dbraw/zinc/50/32/09/813503209.db2.gz OKEMYURGZMOCFX-UHFFFAOYSA-N 1 0 278.287 -0.711 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCCCC ZINC001125071635 813513285 /nfs/dbraw/zinc/51/32/85/813513285.db2.gz AEACYTKOQUZTJB-LBPRGKRZSA-N 1 0 283.372 -0.353 20 30 CBEDRO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)CC(N)=O)c1 ZINC001125080042 813515129 /nfs/dbraw/zinc/51/51/29/813515129.db2.gz MLFZPGNZHXNLFL-UHFFFAOYSA-N 1 0 278.287 -0.221 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC=CC1 ZINC001125135128 813525306 /nfs/dbraw/zinc/52/53/06/813525306.db2.gz FKBOGCUKBIYQAM-UHFFFAOYSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2cc[nH]n2)C1=O ZINC001125158378 813526215 /nfs/dbraw/zinc/52/62/15/813526215.db2.gz LQOYYFHOPOQEAQ-GFCCVEGCSA-N 1 0 291.355 -0.555 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2cc[nH]n2)C1=O ZINC001125158380 813526673 /nfs/dbraw/zinc/52/66/73/813526673.db2.gz LQOYYFHOPOQEAQ-LBPRGKRZSA-N 1 0 291.355 -0.555 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125175622 813528561 /nfs/dbraw/zinc/52/85/61/813528561.db2.gz XXVPDKBVXNQPPM-UHFFFAOYSA-N 1 0 265.317 -0.907 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cnccc1C ZINC001125195522 813530984 /nfs/dbraw/zinc/53/09/84/813530984.db2.gz VXQFAOFYCGAYEP-UHFFFAOYSA-N 1 0 274.324 -0.541 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1oc(C)nc1C ZINC001125209287 813532739 /nfs/dbraw/zinc/53/27/39/813532739.db2.gz QITLCUUDWIDPPN-UHFFFAOYSA-N 1 0 280.328 -0.087 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125219781 813533015 /nfs/dbraw/zinc/53/30/15/813533015.db2.gz BNBJJBGCESZNMP-GFCCVEGCSA-N 1 0 255.362 -0.011 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CCC(F)(F)F ZINC001125227544 813537499 /nfs/dbraw/zinc/53/74/99/813537499.db2.gz VKUMFGZERDEMPB-UHFFFAOYSA-N 1 0 280.250 -0.326 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)/C=C/C1CC1 ZINC001125236316 813538796 /nfs/dbraw/zinc/53/87/96/813538796.db2.gz FABZRYFHKYGWBD-AATRIKPKSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001125252750 813540428 /nfs/dbraw/zinc/54/04/28/813540428.db2.gz LTBFZYHWNNBPJL-LLVKDONJSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001125247690 813541127 /nfs/dbraw/zinc/54/11/27/813541127.db2.gz FTVHFRWQLHTNFN-UHFFFAOYSA-N 1 0 283.372 -0.046 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ocnc1C ZINC001125329174 813544409 /nfs/dbraw/zinc/54/44/09/813544409.db2.gz CAWXAGVVSSJGJG-JTQLQIEISA-N 1 0 278.312 -0.560 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001125360453 813546229 /nfs/dbraw/zinc/54/62/29/813546229.db2.gz FAIBRRKPDLESPN-NDBYEHHHSA-N 1 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ZINC001131508818 814036069 /nfs/dbraw/zinc/03/60/69/814036069.db2.gz OVUVWBIRPCLVKK-LBPRGKRZSA-N 1 0 275.356 -0.040 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001131509018 814038370 /nfs/dbraw/zinc/03/83/70/814038370.db2.gz SGYOMIRUMYDYQH-GFCCVEGCSA-N 1 0 275.356 -0.040 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001131536068 814041290 /nfs/dbraw/zinc/04/12/90/814041290.db2.gz DHNUHSYOSGVRFO-MNOVXSKESA-N 1 0 269.345 -0.581 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1CC ZINC001131589936 814045634 /nfs/dbraw/zinc/04/56/34/814045634.db2.gz QGKMHKPPJZULRT-XQQFMLRXSA-N 1 0 295.383 -0.355 20 30 CBEDRO CCn1cc(CC(=O)NCC[NH2+]CC#CCOC)nn1 ZINC001131621793 814047523 /nfs/dbraw/zinc/04/75/23/814047523.db2.gz GKOYYNXOUXRMIB-UHFFFAOYSA-N 1 0 279.344 -0.804 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131622097 814047534 /nfs/dbraw/zinc/04/75/34/814047534.db2.gz SRWHTLVNSDORKC-UHFFFAOYSA-N 1 0 273.296 -0.128 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001131639227 814049688 /nfs/dbraw/zinc/04/96/88/814049688.db2.gz CVDFVZCOTDFTPC-LBPRGKRZSA-N 1 0 275.356 -0.122 20 30 CBEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC(=O)NC)C[C@@H](C)O2 ZINC001131648864 814050022 /nfs/dbraw/zinc/05/00/22/814050022.db2.gz AUJZWRFUVAGMEY-DOMZBBRYSA-N 1 0 293.367 -0.553 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131675642 814050997 /nfs/dbraw/zinc/05/09/97/814050997.db2.gz BHELNOAMYNZDBQ-NSHDSACASA-N 1 0 275.312 -0.905 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131672681 814051197 /nfs/dbraw/zinc/05/11/97/814051197.db2.gz YZIRBEBIPOCOEQ-NSHDSACASA-N 1 0 277.328 -0.353 20 30 CBEDRO CC[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#CCOC)CC(=O)N1 ZINC001131672444 814051601 /nfs/dbraw/zinc/05/16/01/814051601.db2.gz SFTBBTWRJSPVBU-OLZOCXBDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@@H]1OCC[C@@]1(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131681067 814053543 /nfs/dbraw/zinc/05/35/43/814053543.db2.gz 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/nfs/dbraw/zinc/07/73/41/814077341.db2.gz RIVRNACILITOLZ-ZWNOBZJWSA-N 1 0 271.361 -0.205 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877985 814080569 /nfs/dbraw/zinc/08/05/69/814080569.db2.gz RXXLWFJFWAWFRF-CYBMUJFWSA-N 1 0 294.355 -0.537 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001131905461 814083842 /nfs/dbraw/zinc/08/38/42/814083842.db2.gz QNXGWYVHGCFOSF-QWHCGFSZSA-N 1 0 281.356 -0.649 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1coc(OC)n1 ZINC001131920984 814085380 /nfs/dbraw/zinc/08/53/80/814085380.db2.gz SYVRGUUHZUSOAR-UHFFFAOYSA-N 1 0 282.300 -0.695 20 30 CBEDRO COCC#CC[N@@H+]1C[C@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131964627 814089893 /nfs/dbraw/zinc/08/98/93/814089893.db2.gz IMFLAUCGNSHKNL-VXGBXAGGSA-N 1 0 281.356 -0.519 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CC(=O)NC)CC[C@H]1C ZINC001131972089 814090106 /nfs/dbraw/zinc/09/01/06/814090106.db2.gz PMWCOKNIINTEHP-MNOVXSKESA-N 1 0 251.330 -0.275 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2csnn2)C1=O ZINC001131976424 814091586 /nfs/dbraw/zinc/09/15/86/814091586.db2.gz NIXHVVOZAMTHQK-SECBINFHSA-N 1 0 295.368 -0.356 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2c[nH]nc2C)C1=O ZINC001132143200 814107258 /nfs/dbraw/zinc/10/72/58/814107258.db2.gz KMCWJTLVJOKHAK-GFCCVEGCSA-N 1 0 291.355 -0.176 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2[nH]nnc2C)C1=O ZINC001132212853 814112773 /nfs/dbraw/zinc/11/27/73/814112773.db2.gz OMNYZBRIVSMHHS-JTQLQIEISA-N 1 0 292.343 -0.781 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COC)cc1 ZINC001132222770 814114159 /nfs/dbraw/zinc/11/41/59/814114159.db2.gz JFXHCNURWONXII-AWEZNQCLSA-N 1 0 276.336 -0.005 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132257719 814115923 /nfs/dbraw/zinc/11/59/23/814115923.db2.gz OSUDOQWVSZVTGP-LLVKDONJSA-N 1 0 296.371 -0.995 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132261838 814118595 /nfs/dbraw/zinc/11/85/95/814118595.db2.gz SXXRLBUJMBMECS-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(C)nc1OC ZINC001132278384 814120838 /nfs/dbraw/zinc/12/08/38/814120838.db2.gz VZNAGCXQHZCPCS-UHFFFAOYSA-N 1 0 282.344 -0.049 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCNC1=O ZINC001132355594 814133135 /nfs/dbraw/zinc/13/31/35/814133135.db2.gz DWUUWFFKGLCUBY-QMMMGPOBSA-N 1 0 290.161 -0.263 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386823 814144411 /nfs/dbraw/zinc/14/44/11/814144411.db2.gz MEHBACMXLISKQA-JTQLQIEISA-N 1 0 254.334 -0.318 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132383115 814144545 /nfs/dbraw/zinc/14/45/45/814144545.db2.gz YBVXTHHETXBBBS-VIFPVBQESA-N 1 0 295.343 -0.864 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386824 814145055 /nfs/dbraw/zinc/14/50/55/814145055.db2.gz MEHBACMXLISKQA-SNVBAGLBSA-N 1 0 254.334 -0.318 20 30 CBEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001132395794 814146836 /nfs/dbraw/zinc/14/68/36/814146836.db2.gz PCWAYSSINQULEE-UHFFFAOYSA-N 1 0 296.371 -0.154 20 30 CBEDRO CC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001132451897 814150870 /nfs/dbraw/zinc/15/08/70/814150870.db2.gz QPFBKUCXQXCSBU-UHFFFAOYSA-N 1 0 252.318 -0.478 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)CC ZINC001132442697 814151055 /nfs/dbraw/zinc/15/10/55/814151055.db2.gz AHUKEJSVQVUDOB-NXEZZACHSA-N 1 0 257.309 -0.422 20 30 CBEDRO Cn1nnc(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)n1 ZINC001132523486 814156637 /nfs/dbraw/zinc/15/66/37/814156637.db2.gz LOOBYQRAMPDMHB-UHFFFAOYSA-N 1 0 291.340 -0.337 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132559118 814164854 /nfs/dbraw/zinc/16/48/54/814164854.db2.gz NEKKUKYMMWWXFB-LLVKDONJSA-N 1 0 259.325 -0.012 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001132591692 814166507 /nfs/dbraw/zinc/16/65/07/814166507.db2.gz UNGBUWFLNRLRSQ-NSHDSACASA-N 1 0 251.330 -0.226 20 30 CBEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132577749 814166655 /nfs/dbraw/zinc/16/66/55/814166655.db2.gz ZZRHQKGMASZFNC-GHMZBOCLSA-N 1 0 291.417 -0.300 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CNC(C)=O)CC[C@@H]1C ZINC001132597963 814166761 /nfs/dbraw/zinc/16/67/61/814166761.db2.gz DZCMQZWSUIEJGT-WCQYABFASA-N 1 0 265.357 -0.170 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132612907 814171102 /nfs/dbraw/zinc/17/11/02/814171102.db2.gz VNXLSZADFRMNNF-NSHDSACASA-N 1 0 269.345 -0.627 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC1(C)C ZINC001132635818 814173943 /nfs/dbraw/zinc/17/39/43/814173943.db2.gz GXNAZDATKSNGOG-NSHDSACASA-N 1 0 265.357 -0.122 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132663329 814177567 /nfs/dbraw/zinc/17/75/67/814177567.db2.gz UUFSKBHDPZNXKW-NSHDSACASA-N 1 0 296.371 -0.154 20 30 CBEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132663307 814178025 /nfs/dbraw/zinc/17/80/25/814178025.db2.gz ULECZDDWAPLTHM-NSHDSACASA-N 1 0 291.417 -0.156 20 30 CBEDRO C[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C[NH2+]CC(N)=O ZINC001132663963 814178198 /nfs/dbraw/zinc/17/81/98/814178198.db2.gz ADRZLHYYWPYKSI-GHMZBOCLSA-N 1 0 298.412 -0.197 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132718289 814181400 /nfs/dbraw/zinc/18/14/00/814181400.db2.gz KAGTYJIBEFDRHF-CQSZACIVSA-N 1 0 283.372 -0.189 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC[C@H]1C ZINC001132717669 814181587 /nfs/dbraw/zinc/18/15/87/814181587.db2.gz OHBXTFHNJRRTQB-VXGBXAGGSA-N 1 0 265.357 -0.041 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCO)C1 ZINC001132770896 814188064 /nfs/dbraw/zinc/18/80/64/814188064.db2.gz ZPQCVXYJSKKZNE-STQMWFEESA-N 1 0 295.383 -0.808 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001132780474 814189110 /nfs/dbraw/zinc/18/91/10/814189110.db2.gz ZMDSRPHBSKGWNM-CQSZACIVSA-N 1 0 279.384 -0.031 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132823617 814191757 /nfs/dbraw/zinc/19/17/57/814191757.db2.gz JFCUCSLRMGICPR-CHWSQXEVSA-N 1 0 290.371 -0.229 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1csc(C)n1 ZINC001132826077 814192120 /nfs/dbraw/zinc/19/21/20/814192120.db2.gz IVLMWXMFKVWVSF-VIFPVBQESA-N 1 0 294.380 -0.091 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(=O)NC)CC[C@H]1C ZINC001132860425 814195056 /nfs/dbraw/zinc/19/50/56/814195056.db2.gz UGBFUHMYLDMBNL-NEPJUHHUSA-N 1 0 280.372 -0.377 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1ncccc1OC ZINC001132905922 814200965 /nfs/dbraw/zinc/20/09/65/814200965.db2.gz FFGBKYKFHMTLAQ-UHFFFAOYSA-N 1 0 291.351 -0.012 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1ccnc2c1nnn2C ZINC001132949530 814202460 /nfs/dbraw/zinc/20/24/60/814202460.db2.gz BPWOHDIHIWIWPD-UHFFFAOYSA-N 1 0 272.312 -0.294 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001133000663 814206767 /nfs/dbraw/zinc/20/67/67/814206767.db2.gz GPRPFOWJLPVCSC-JTQLQIEISA-N 1 0 261.329 -0.046 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133078842 814213277 /nfs/dbraw/zinc/21/32/77/814213277.db2.gz WYDCDKQUHWTVAH-NWDGAFQWSA-N 1 0 281.356 -0.804 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133078843 814213846 /nfs/dbraw/zinc/21/38/46/814213846.db2.gz WYDCDKQUHWTVAH-RYUDHWBXSA-N 1 0 281.356 -0.804 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133078699 814214343 /nfs/dbraw/zinc/21/43/43/814214343.db2.gz WLZUXCRUUFMLRZ-QWRGUYRKSA-N 1 0 251.330 -0.431 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CNC(=O)N1 ZINC001133114996 814216919 /nfs/dbraw/zinc/21/69/19/814216919.db2.gz CRYIEQWSHQNJSI-VHSXEESVSA-N 1 0 254.334 -0.272 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1Cc2ccccc21 ZINC001133125280 814219341 /nfs/dbraw/zinc/21/93/41/814219341.db2.gz ONGGJNDEIOUOMK-CYBMUJFWSA-N 1 0 286.335 -0.328 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128594 814220111 /nfs/dbraw/zinc/22/01/11/814220111.db2.gz IEUWFKADLFSLPG-ZETCQYMHSA-N 1 0 291.149 -0.718 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001133145140 814220697 /nfs/dbraw/zinc/22/06/97/814220697.db2.gz QTCXFMOYXLGVAL-UHFFFAOYSA-N 1 0 291.417 -0.012 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCCC=C ZINC001133145169 814221189 /nfs/dbraw/zinc/22/11/89/814221189.db2.gz RXDJEWPVTPHLFM-UHFFFAOYSA-N 1 0 251.330 -0.202 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cccc(C)c1 ZINC001133182361 814222298 /nfs/dbraw/zinc/22/22/98/814222298.db2.gz AMJUDTOEMQSDIK-UHFFFAOYSA-N 1 0 287.363 -0.007 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)C(N)=O)s1 ZINC001133206394 814232227 /nfs/dbraw/zinc/23/22/27/814232227.db2.gz OPNJBOSOCGKXBR-UHFFFAOYSA-N 1 0 252.299 -0.689 20 30 CBEDRO COc1ncccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133270841 814233300 /nfs/dbraw/zinc/23/33/00/814233300.db2.gz QYOWKLWVIYJLGJ-UHFFFAOYSA-N 1 0 291.311 -0.951 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1C ZINC001133297025 814240308 /nfs/dbraw/zinc/24/03/08/814240308.db2.gz HYWYMWYQSRFZHN-CHWSQXEVSA-N 1 0 275.356 -0.015 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](OC)C(C)C ZINC001133338055 814243912 /nfs/dbraw/zinc/24/39/12/814243912.db2.gz GJQPDBISCKAJDM-VXGBXAGGSA-N 1 0 283.372 -0.499 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001133379013 814247603 /nfs/dbraw/zinc/24/76/03/814247603.db2.gz QVQQXNXIKSALRQ-ZDUSSCGKSA-N 1 0 284.360 -0.250 20 30 CBEDRO C=C1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001133362514 814247698 /nfs/dbraw/zinc/24/76/98/814247698.db2.gz JDEMCFMNGDBFES-UHFFFAOYSA-N 1 0 296.371 -0.106 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1CCC(F)CC1 ZINC001133385112 814247758 /nfs/dbraw/zinc/24/77/58/814247758.db2.gz YDJZASVCUJPQNT-UHFFFAOYSA-N 1 0 283.347 -0.030 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(C)=O ZINC001133427956 814251198 /nfs/dbraw/zinc/25/11/98/814251198.db2.gz SNRMXXKKSIWCGJ-VHSXEESVSA-N 1 0 284.360 -0.109 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133443924 814253006 /nfs/dbraw/zinc/25/30/06/814253006.db2.gz QLBCYJVGWWPGBJ-BDAKNGLRSA-N 1 0 275.299 -0.126 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133467701 814257207 /nfs/dbraw/zinc/25/72/07/814257207.db2.gz NYNKKPAHBLSEHR-UHFFFAOYSA-N 1 0 254.265 -0.482 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COC ZINC001133462192 814257660 /nfs/dbraw/zinc/25/76/60/814257660.db2.gz SSUXLNALLJCNJL-MNOVXSKESA-N 1 0 271.361 -0.192 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1n[nH]cc1F ZINC001133470954 814258029 /nfs/dbraw/zinc/25/80/29/814258029.db2.gz QBGGHKBQIHEKGL-QMMMGPOBSA-N 1 0 281.291 -0.994 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC[C@H]1C ZINC001133492443 814262485 /nfs/dbraw/zinc/26/24/85/814262485.db2.gz OHOOYRIODZRPNL-NEPJUHHUSA-N 1 0 283.372 -0.333 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCOC[C@H]1C ZINC001133496171 814263630 /nfs/dbraw/zinc/26/36/30/814263630.db2.gz HURAEGHZNCSKNC-NEPJUHHUSA-N 1 0 281.356 -0.886 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cl)[nH]1 ZINC001133500752 814264255 /nfs/dbraw/zinc/26/42/55/814264255.db2.gz KZKCSMWBNKBPKL-UHFFFAOYSA-N 1 0 282.731 -0.263 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(C)c1C ZINC001133508584 814265230 /nfs/dbraw/zinc/26/52/30/814265230.db2.gz GWSWQVSXHKZMKR-LLVKDONJSA-N 1 0 290.367 -0.209 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(C)=O ZINC001133515544 814267590 /nfs/dbraw/zinc/26/75/90/814267590.db2.gz QZAOGXDNMPMCCM-NEPJUHHUSA-N 1 0 283.372 -0.355 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@@H](COC)OC ZINC001133517879 814270170 /nfs/dbraw/zinc/27/01/70/814270170.db2.gz WMBYFKVZGVRFSQ-LLVKDONJSA-N 1 0 258.318 -0.997 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001133548149 814272183 /nfs/dbraw/zinc/27/21/83/814272183.db2.gz XKVXHRHEEGTXPI-FZMZJTMJSA-N 1 0 278.356 -0.088 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C(C)C)CC1 ZINC001133556723 814272981 /nfs/dbraw/zinc/27/29/81/814272981.db2.gz JBZHVKPKXBFBMR-UHFFFAOYSA-N 1 0 265.357 -0.122 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133564231 814273668 /nfs/dbraw/zinc/27/36/68/814273668.db2.gz KMVHBYAYIQAQTC-UHFFFAOYSA-N 1 0 268.317 -0.757 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001133565435 814274253 /nfs/dbraw/zinc/27/42/53/814274253.db2.gz BMFCICGAWQRZKE-VIFPVBQESA-N 1 0 282.344 -0.368 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](C)C(=O)NC)c1 ZINC001133597001 814277100 /nfs/dbraw/zinc/27/71/00/814277100.db2.gz HBVICLSFXZFAPJ-JTQLQIEISA-N 1 0 274.324 -0.483 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619858 814277225 /nfs/dbraw/zinc/27/72/25/814277225.db2.gz NIKYANYNUSKICW-NXEZZACHSA-N 1 0 254.334 -0.449 20 30 CBEDRO CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133622539 814278484 /nfs/dbraw/zinc/27/84/84/814278484.db2.gz HKRKZMRFODXONH-WDEREUQCSA-N 1 0 284.360 -0.464 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cccc(=O)n1C ZINC001133642914 814281351 /nfs/dbraw/zinc/28/13/51/814281351.db2.gz BGWBUDAGXCDBAI-UHFFFAOYSA-N 1 0 277.324 -0.646 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CSC ZINC001133645593 814281976 /nfs/dbraw/zinc/28/19/76/814281976.db2.gz RCCIKOFQLGIQPE-GHMZBOCLSA-N 1 0 285.413 -0.028 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133788939 814297032 /nfs/dbraw/zinc/29/70/32/814297032.db2.gz IHHSMUVPTGZIET-NWDGAFQWSA-N 1 0 299.371 -0.135 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001133849398 814306595 /nfs/dbraw/zinc/30/65/95/814306595.db2.gz WVINTODSYPXGPQ-WDEREUQCSA-N 1 0 274.386 -0.073 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133929464 814325427 /nfs/dbraw/zinc/32/54/27/814325427.db2.gz YHXNDKIJYWOOJW-WDEREUQCSA-N 1 0 253.346 -0.007 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921572 814326539 /nfs/dbraw/zinc/32/65/39/814326539.db2.gz KDRVRSNUMLHGKS-WDEREUQCSA-N 1 0 253.346 -0.007 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cocn1 ZINC001133941938 814327255 /nfs/dbraw/zinc/32/72/55/814327255.db2.gz GFXYXRYEFYLDSH-QWRGUYRKSA-N 1 0 292.339 -0.090 20 30 CBEDRO N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942850 814327831 /nfs/dbraw/zinc/32/78/31/814327831.db2.gz IFSOVEIDRMSIHQ-OLZOCXBDSA-N 1 0 286.335 -0.115 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001133997914 814334309 /nfs/dbraw/zinc/33/43/09/814334309.db2.gz KFGRNRYGVZSHED-LBPRGKRZSA-N 1 0 291.355 -0.965 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134025609 814341624 /nfs/dbraw/zinc/34/16/24/814341624.db2.gz BTZWVMATYDIOQU-GHMZBOCLSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134058483 814345766 /nfs/dbraw/zinc/34/57/66/814345766.db2.gz QBSITQXBKSYECF-NEPJUHHUSA-N 1 0 281.356 -0.415 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001134052731 814346296 /nfs/dbraw/zinc/34/62/96/814346296.db2.gz AJIZHCIDCMRBNF-WOPDTQHZSA-N 1 0 281.356 -0.438 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134080167 814349333 /nfs/dbraw/zinc/34/93/33/814349333.db2.gz MAEWQOUAAUVGQD-UHFFFAOYSA-N 1 0 274.324 -0.168 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111854 814354109 /nfs/dbraw/zinc/35/41/09/814354109.db2.gz ZRWIIGHXXIGPIZ-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001134239727 814364836 /nfs/dbraw/zinc/36/48/36/814364836.db2.gz RWCQNNANNFSOHP-UHFFFAOYSA-N 1 0 289.339 -0.644 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC(C)(C)O ZINC001134227071 814365226 /nfs/dbraw/zinc/36/52/26/814365226.db2.gz AVBGUVOBNVZRKI-QWRGUYRKSA-N 1 0 298.387 -0.340 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)(C)O ZINC001134229446 814365243 /nfs/dbraw/zinc/36/52/43/814365243.db2.gz SZXPQMDKLHXYPV-NEPJUHHUSA-N 1 0 297.399 -0.230 20 30 CBEDRO CCn1nc(C)cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134263869 814367814 /nfs/dbraw/zinc/36/78/14/814367814.db2.gz PVCLKNIPPMXARU-UHFFFAOYSA-N 1 0 292.343 -0.829 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001134271796 814367949 /nfs/dbraw/zinc/36/79/49/814367949.db2.gz XKGWPRXBDHMRRN-RYUDHWBXSA-N 1 0 293.371 -0.049 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001134326316 814375814 /nfs/dbraw/zinc/37/58/14/814375814.db2.gz PCDMTHXROQVJRD-GHMZBOCLSA-N 1 0 290.371 -0.004 20 30 CBEDRO Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(=O)[nH]1 ZINC001134365225 814375955 /nfs/dbraw/zinc/37/59/55/814375955.db2.gz ILSNURHIGHOTOS-UHFFFAOYSA-N 1 0 291.311 -0.945 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134384066 814377738 /nfs/dbraw/zinc/37/77/38/814377738.db2.gz MEBKXWMCVMHBOX-QWRGUYRKSA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380269 814378495 /nfs/dbraw/zinc/37/84/95/814378495.db2.gz PTXJNFVXPOXYMN-VHSXEESVSA-N 1 0 250.306 -0.821 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cc1c[nH]cn1 ZINC001134397848 814379794 /nfs/dbraw/zinc/37/97/94/814379794.db2.gz WFKCXLOFALIZPW-UHFFFAOYSA-N 1 0 252.318 -0.139 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CNS(=O)(=O)CC ZINC001134499679 814388963 /nfs/dbraw/zinc/38/89/63/814388963.db2.gz HDJYXAWKIHNEMN-QWRGUYRKSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001134505245 814390412 /nfs/dbraw/zinc/39/04/12/814390412.db2.gz OBXOWFRCBIQRTB-MNOVXSKESA-N 1 0 289.401 -0.568 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134514979 814392198 /nfs/dbraw/zinc/39/21/98/814392198.db2.gz QXMVCUQESPUHBB-OLZOCXBDSA-N 1 0 297.399 -0.013 20 30 CBEDRO CNC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134524844 814393449 /nfs/dbraw/zinc/39/34/49/814393449.db2.gz RSRQNNVFQGJZEQ-VXGBXAGGSA-N 1 0 298.387 -0.562 20 30 CBEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134525044 814393572 /nfs/dbraw/zinc/39/35/72/814393572.db2.gz VJCVHYQJKGCMIG-WDEREUQCSA-N 1 0 268.361 -0.188 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCCCO1 ZINC001134559937 814395846 /nfs/dbraw/zinc/39/58/46/814395846.db2.gz YCSDYBIENMFDNP-LBPRGKRZSA-N 1 0 296.371 -0.319 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COC1CCOCC1 ZINC001134636888 814400969 /nfs/dbraw/zinc/40/09/69/814400969.db2.gz XKYSROUPXCMKNA-UHFFFAOYSA-N 1 0 299.371 -0.810 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134665095 814405672 /nfs/dbraw/zinc/40/56/72/814405672.db2.gz GVBOVWGJTCPUDU-UHFFFAOYSA-N 1 0 294.355 -0.630 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001134666717 814405793 /nfs/dbraw/zinc/40/57/93/814405793.db2.gz RKNAYRCYBMZKFO-GHMZBOCLSA-N 1 0 276.340 -0.100 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134665473 814406363 /nfs/dbraw/zinc/40/63/63/814406363.db2.gz NAZQCUZHWMMXRL-UHFFFAOYSA-N 1 0 290.327 -0.827 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001134743854 814409453 /nfs/dbraw/zinc/40/94/53/814409453.db2.gz DZRAOKZKRYIHGM-GHMZBOCLSA-N 1 0 274.386 -0.073 20 30 CBEDRO C[C@@H]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001134738271 814410341 /nfs/dbraw/zinc/41/03/41/814410341.db2.gz LEMPUGDHSCUALN-GHMZBOCLSA-N 1 0 266.345 -0.232 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C(C)C)no1 ZINC001134754422 814410719 /nfs/dbraw/zinc/41/07/19/814410719.db2.gz MOQKWCSJOPVWOS-UHFFFAOYSA-N 1 0 292.339 -0.133 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001134854526 814418624 /nfs/dbraw/zinc/41/86/24/814418624.db2.gz PJFSRGVURUJYIU-VXGBXAGGSA-N 1 0 280.372 -0.092 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134877846 814420849 /nfs/dbraw/zinc/42/08/49/814420849.db2.gz KILZLUCMJIADRH-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001134899352 814421620 /nfs/dbraw/zinc/42/16/20/814421620.db2.gz WLNXUYCIMNHSFY-MNOVXSKESA-N 1 0 292.339 -0.545 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961776 814427520 /nfs/dbraw/zinc/42/75/20/814427520.db2.gz 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CBEDRO C=CC[NH2+]CCNC(=O)C(C)(C)N1CCOCC1 ZINC001135347189 814468633 /nfs/dbraw/zinc/46/86/33/814468633.db2.gz ROMOZHMETGQATN-UHFFFAOYSA-N 1 0 255.362 -0.011 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)COc1cccnc1 ZINC001135360312 814470795 /nfs/dbraw/zinc/47/07/95/814470795.db2.gz PTNYCSSEDDGFOI-UHFFFAOYSA-N 1 0 292.339 -0.532 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](CCC(N)=O)NC(C)=O ZINC001135384945 814472485 /nfs/dbraw/zinc/47/24/85/814472485.db2.gz PLCFPPRBNBWYIH-NSHDSACASA-N 1 0 284.360 -0.962 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)NC(C)=O ZINC001135381012 814472723 /nfs/dbraw/zinc/47/27/23/814472723.db2.gz JSRHMZUFRQVTGI-SNVBAGLBSA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CC[N@H+]1CC=C(CCNC(=O)CC(=O)NC)CC1 ZINC001159933982 815606880 /nfs/dbraw/zinc/60/68/80/815606880.db2.gz PQSWKLCNPQMHPJ-UHFFFAOYSA-N 1 0 263.341 -0.106 20 30 CBEDRO C=CC[NH2+]CCNC(=O)CNC(=O)C1CCOCC1 ZINC001135471610 814477888 /nfs/dbraw/zinc/47/78/88/814477888.db2.gz BUZSHPZAQUXPEC-UHFFFAOYSA-N 1 0 269.345 -0.579 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277.328 -0.776 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1nnc[nH]1 ZINC001135733563 814517147 /nfs/dbraw/zinc/51/71/47/814517147.db2.gz FYKQBOWDMWJQSX-VHSXEESVSA-N 1 0 292.343 -0.959 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135759320 814520904 /nfs/dbraw/zinc/52/09/04/814520904.db2.gz KVEUCRCBNAWQMQ-QWRGUYRKSA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cnnn1 ZINC001135759319 814521166 /nfs/dbraw/zinc/52/11/66/814521166.db2.gz KVEUCRCBNAWQMQ-MNOVXSKESA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001135781633 814523860 /nfs/dbraw/zinc/52/38/60/814523860.db2.gz RCJQNELIHCZRBV-GHMZBOCLSA-N 1 0 269.345 -0.581 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160409145 815618932 /nfs/dbraw/zinc/61/89/32/815618932.db2.gz ZMSSQYQRAVGHDS-SNVBAGLBSA-N 1 0 298.387 -0.716 20 30 CBEDRO C[C@]1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCCOC1 ZINC001135951860 814539030 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ZINC001136127032 814554954 /nfs/dbraw/zinc/55/49/54/814554954.db2.gz JVWUPOJJQXHPNS-GHMZBOCLSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127760 814556296 /nfs/dbraw/zinc/55/62/96/814556296.db2.gz VPGJBLPLZLONBC-GHMZBOCLSA-N 1 0 294.355 -0.614 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001136127722 814556906 /nfs/dbraw/zinc/55/69/06/814556906.db2.gz UZDWMTJZVCCUEW-QWRGUYRKSA-N 1 0 296.371 -0.061 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001136127778 814556928 /nfs/dbraw/zinc/55/69/28/814556928.db2.gz VSSOEOVFKYHQMZ-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001136620191 814564495 /nfs/dbraw/zinc/56/44/95/814564495.db2.gz CGWNQZASYHKECQ-UHFFFAOYSA-N 1 0 275.374 -0.616 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CCn3cnnc3C2)CC1 ZINC001136692940 814569394 /nfs/dbraw/zinc/56/93/94/814569394.db2.gz PIGWHZCHSYHBFX-UHFFFAOYSA-N 1 0 273.340 -0.035 20 30 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C=C(C)CCC(=O)NC[C@@H](O)CNCc1nnnn1C ZINC001320226200 817296793 /nfs/dbraw/zinc/29/67/93/817296793.db2.gz BJBWTZPELHGFJP-JTQLQIEISA-N 1 0 282.348 -0.867 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001320219719 817297220 /nfs/dbraw/zinc/29/72/20/817297220.db2.gz ZTELDGNNPWRVOO-WDEREUQCSA-N 1 0 297.380 -0.252 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](O)CN[C@H](C)c1nnnn1C ZINC001320226231 817297256 /nfs/dbraw/zinc/29/72/56/817297256.db2.gz BPOGTGHNAKARDD-MNOVXSKESA-N 1 0 296.375 -0.306 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001320232158 817299470 /nfs/dbraw/zinc/29/94/70/817299470.db2.gz MPDNORPSQGQWDW-CMPLNLGQSA-N 1 0 294.355 -0.614 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc2ccnn21 ZINC001320233884 817299616 /nfs/dbraw/zinc/29/96/16/817299616.db2.gz JDIVEACNFMWXBH-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001320239007 817301528 /nfs/dbraw/zinc/30/15/28/817301528.db2.gz TYKDEFWGQLGXAV-JTQLQIEISA-N 1 0 280.328 -0.171 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001320242348 817302645 /nfs/dbraw/zinc/30/26/45/817302645.db2.gz MLFFDASTDNFJEE-LBPRGKRZSA-N 1 0 279.340 -0.358 20 30 CBEDRO O=C(NC[C@H](O)C[NH2+]CC#Cc1ccccc1)c1cn[nH]n1 ZINC001320241308 817302829 /nfs/dbraw/zinc/30/28/29/817302829.db2.gz FYXWIBHCEMRZSN-CYBMUJFWSA-N 1 0 299.334 -0.463 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c(n1)OCCO2 ZINC001320240739 817303266 /nfs/dbraw/zinc/30/32/66/817303266.db2.gz CJWUQVGIAHYCGP-JTQLQIEISA-N 1 0 291.307 -0.834 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)cc1C ZINC001320243597 817303366 /nfs/dbraw/zinc/30/33/66/817303366.db2.gz AEMKHPCFXUQJQF-CYBMUJFWSA-N 1 0 278.356 -0.410 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cncn1C ZINC001320245883 817304091 /nfs/dbraw/zinc/30/40/91/817304091.db2.gz NDZHSTLZKWUTKA-JTQLQIEISA-N 1 0 252.318 -0.324 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001320257790 817305179 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C[C@@H](C(=O)NC[C@@H](O)CNCC#N)[NH+]1CCCCCC1 ZINC001320283220 817312507 /nfs/dbraw/zinc/31/25/07/817312507.db2.gz MKLWSHNIOBRFBS-STQMWFEESA-N 1 0 282.388 -0.159 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)nn(C)c1OC ZINC001320282277 817313219 /nfs/dbraw/zinc/31/32/19/817313219.db2.gz HLNFPOMBVHLYME-NSHDSACASA-N 1 0 294.355 -0.559 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001320284112 817313948 /nfs/dbraw/zinc/31/39/48/817313948.db2.gz RZNWUSOUKLJTCC-SNVBAGLBSA-N 1 0 250.302 -0.578 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001320295720 817317186 /nfs/dbraw/zinc/31/71/86/817317186.db2.gz MPGMAFNJCGAAAQ-VXGBXAGGSA-N 1 0 296.371 -0.990 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(OC)o1 ZINC001320293629 817317308 /nfs/dbraw/zinc/31/73/08/817317308.db2.gz XPCAEUMZTKZTEV-JTQLQIEISA-N 1 0 266.297 -0.008 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ncc2n1CCCC2 ZINC001320311566 817319666 /nfs/dbraw/zinc/31/96/66/817319666.db2.gz FBKFBUQIZYPHGL-CYBMUJFWSA-N 1 0 290.367 -0.077 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cncnc1C(C)C ZINC001320315029 817320853 /nfs/dbraw/zinc/32/08/53/817320853.db2.gz RFOHHVQPQLUUHW-NSHDSACASA-N 1 0 276.340 -0.087 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C1CC1 ZINC001320314617 817321678 /nfs/dbraw/zinc/32/16/78/817321678.db2.gz FAGRUQBBOGXWRO-NSHDSACASA-N 1 0 276.340 -0.389 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cncs1 ZINC001320362336 817327507 /nfs/dbraw/zinc/32/75/07/817327507.db2.gz NYWNQBKNKUNPKF-SNVBAGLBSA-N 1 0 294.380 -0.010 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCOC1 ZINC001320370864 817329579 /nfs/dbraw/zinc/32/95/79/817329579.db2.gz HSSUWHVGVIUDMV-OLZOCXBDSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001320422131 817337143 /nfs/dbraw/zinc/33/71/43/817337143.db2.gz IEIPPJRVJOJMBI-LBPRGKRZSA-N 1 0 280.372 -0.091 20 30 CBEDRO C=C[C@H](COC)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001320440297 817338844 /nfs/dbraw/zinc/33/88/44/817338844.db2.gz ZWQLIMVBDCINGW-PWSUYJOCSA-N 1 0 259.350 -0.201 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001320470803 817342010 /nfs/dbraw/zinc/34/20/10/817342010.db2.gz USABYRREYVADOX-MNOVXSKESA-N 1 0 274.386 -0.073 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001320518402 817348093 /nfs/dbraw/zinc/34/80/93/817348093.db2.gz RRJKTJCRAKKALZ-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cccnn1 ZINC001320580335 817357649 /nfs/dbraw/zinc/35/76/49/817357649.db2.gz APKUUWZYDAVYAE-LLVKDONJSA-N 1 0 289.339 -0.676 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ccncn1 ZINC001320582518 817358268 /nfs/dbraw/zinc/35/82/68/817358268.db2.gz STLCQSPMTMVLJX-SNVBAGLBSA-N 1 0 290.327 -0.786 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001320647103 817366915 /nfs/dbraw/zinc/36/69/15/817366915.db2.gz SFRWQESCZFPIBL-CHWSQXEVSA-N 1 0 267.373 -0.175 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001320647104 817368008 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ZINC001320940402 817413969 /nfs/dbraw/zinc/41/39/69/817413969.db2.gz MICOCIGGADUTOM-ARJAWSKDSA-N 1 0 263.341 -0.202 20 30 CBEDRO Cn1ccc(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)c1 ZINC001321025615 817431294 /nfs/dbraw/zinc/43/12/94/817431294.db2.gz UCXPJKDZUSBZGF-NSCUHMNNSA-N 1 0 289.339 -0.460 20 30 CBEDRO COC[C@@H](O)C[NH2+]C/C=C/CNC(=O)C#CC1CC1 ZINC001321051374 817434728 /nfs/dbraw/zinc/43/47/28/817434728.db2.gz LFAYGSYEBDNEMF-IBUXWKBASA-N 1 0 266.341 -0.331 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)C[C@H](C)NC(N)=O ZINC001321058062 817436681 /nfs/dbraw/zinc/43/66/81/817436681.db2.gz WCOZONBEXQMLEL-QRGHLMKCSA-N 1 0 266.345 -0.281 20 30 CBEDRO C=CC[NH2+]C/C=C\CNC(=O)CC1CS(=O)(=O)C1 ZINC001321126759 817445245 /nfs/dbraw/zinc/44/52/45/817445245.db2.gz QBTAFTRKCVSUOH-ARJAWSKDSA-N 1 0 272.370 -0.131 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001321153291 817450171 /nfs/dbraw/zinc/45/01/71/817450171.db2.gz XEGZLYWCXGXNNI-VSQXVHSFSA-N 1 0 263.341 -0.060 20 30 CBEDRO 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ZINC001168424793 820162238 /nfs/dbraw/zinc/16/22/38/820162238.db2.gz PJVDULCTGCFOIZ-UHFFFAOYSA-N 1 0 259.273 -0.229 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCN1CCOCC1 ZINC001168442175 820162820 /nfs/dbraw/zinc/16/28/20/820162820.db2.gz NMHJGVBDDVXSGB-UHFFFAOYSA-N 1 0 253.346 -0.562 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)COC ZINC001168609059 820166686 /nfs/dbraw/zinc/16/66/86/820166686.db2.gz RQTPKCKZOAMOMW-GFCCVEGCSA-N 1 0 283.372 -0.353 20 30 CBEDRO C/C(=N\C#N)N(C)Cc1ccc(-n2nnnc2C[NH3+])nc1 ZINC001168918826 820191291 /nfs/dbraw/zinc/19/12/91/820191291.db2.gz MKIGPCOUBTVXQY-CXUHLZMHSA-N 1 0 285.315 -0.153 20 30 CBEDRO Cc1nc(CC[NH3+])nn1-c1nc(C#N)c(C#N)nc1C ZINC001168985450 820198975 /nfs/dbraw/zinc/19/89/75/820198975.db2.gz CAEMYCCWTPYXRX-UHFFFAOYSA-N 1 0 268.284 -0.081 20 30 CBEDRO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CNC(N)=O ZINC001169018563 820201560 /nfs/dbraw/zinc/20/15/60/820201560.db2.gz YKQWKMBKAINLHV-NSHDSACASA-N 1 0 268.361 -0.057 20 30 CBEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CNC(N)=O ZINC001169028797 820201664 /nfs/dbraw/zinc/20/16/64/820201664.db2.gz QMRPUCCNKBGRHC-LLVKDONJSA-N 1 0 268.361 -0.057 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(OC)o1 ZINC001169068262 820203238 /nfs/dbraw/zinc/20/32/38/820203238.db2.gz TWFAMQLLOCDMQH-UHFFFAOYSA-N 1 0 293.323 -0.253 20 30 CBEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001169567096 820256981 /nfs/dbraw/zinc/25/69/81/820256981.db2.gz LFKKITGIKMPBJQ-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO Cc1cnc(C#N)c(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169071439 820205701 /nfs/dbraw/zinc/20/57/01/820205701.db2.gz DPYXGWLSOCNQIU-SECBINFHSA-N 1 0 258.285 -0.296 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169111246 820208545 /nfs/dbraw/zinc/20/85/45/820208545.db2.gz VBAONKOFINEONR-UHFFFAOYSA-N 1 0 282.348 -0.638 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1ncc[nH]1 ZINC001169229155 820215021 /nfs/dbraw/zinc/21/50/21/820215021.db2.gz VARSCGSGRRAYST-LLVKDONJSA-N 1 0 291.355 -0.814 20 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/nfs/dbraw/zinc/29/35/79/820293579.db2.gz JCPGTMAKLKAUOC-DOMZBBRYSA-N 1 0 295.383 -0.189 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001170497823 820294899 /nfs/dbraw/zinc/29/48/99/820294899.db2.gz AIFJZVGWVFJTMA-LBPRGKRZSA-N 1 0 291.355 -0.028 20 30 CBEDRO C[C@@H]1CN(c2ccc(N[C@@H](C#N)C(N)=O)nn2)CC[NH2+]1 ZINC001170532714 820299470 /nfs/dbraw/zinc/29/94/70/820299470.db2.gz LJDYWDCRCFIDLY-BDAKNGLRSA-N 1 0 275.316 -0.936 20 30 CBEDRO N#C[C@H](Nc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1)C(N)=O ZINC001170537520 820302657 /nfs/dbraw/zinc/30/26/57/820302657.db2.gz WHCFDEJJQVLDNK-ZJUUUORDSA-N 1 0 285.311 -0.057 20 30 CBEDRO N#Cc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170771683 820314249 /nfs/dbraw/zinc/31/42/49/820314249.db2.gz FMWFSBUENZWUGU-APPZFPTMSA-N 1 0 263.257 -0.146 20 30 CBEDRO N#Cc1ncc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170776691 820319153 /nfs/dbraw/zinc/31/91/53/820319153.db2.gz BJRQQQZFVSGALA-XCBNKYQSSA-N 1 0 263.257 -0.146 20 30 CBEDRO N#Cc1ncc(N[C@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170776692 820319303 /nfs/dbraw/zinc/31/93/03/820319303.db2.gz BJRQQQZFVSGALA-XVKPBYJWSA-N 1 0 263.257 -0.146 20 30 CBEDRO Cc1nc(C#N)c(C#N)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170779379 820320853 /nfs/dbraw/zinc/32/08/53/820320853.db2.gz PXZWJTQHJQRQQQ-KCJUWKMLSA-N 1 0 258.285 -0.479 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001171072385 820344727 /nfs/dbraw/zinc/34/47/27/820344727.db2.gz VBLXESSIFQDJTR-UHFFFAOYSA-N 1 0 294.311 -0.371 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171080636 820346341 /nfs/dbraw/zinc/34/63/41/820346341.db2.gz YTIAQEDCFQGCLL-UHFFFAOYSA-N 1 0 290.327 -0.297 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001171079868 820347543 /nfs/dbraw/zinc/34/75/43/820347543.db2.gz NGOJIQFLCKIQQJ-UHFFFAOYSA-N 1 0 276.300 -0.687 20 30 CBEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)NCC#N ZINC001171296775 820356494 /nfs/dbraw/zinc/35/64/94/820356494.db2.gz HDNYLVXQBNDAJX-WDEREUQCSA-N 1 0 254.334 -0.987 20 30 CBEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)NCC#N ZINC001171296772 820356521 /nfs/dbraw/zinc/35/65/21/820356521.db2.gz HDNYLVXQBNDAJX-GHMZBOCLSA-N 1 0 254.334 -0.987 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCCC(=O)N(C)C ZINC001171451061 820360379 /nfs/dbraw/zinc/36/03/79/820360379.db2.gz IOMXPNYHWRPGJV-UHFFFAOYSA-N 1 0 253.346 -0.026 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171621519 820364594 /nfs/dbraw/zinc/36/45/94/820364594.db2.gz XIXJMBVAJJEKSG-QWRGUYRKSA-N 1 0 296.371 -0.948 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171710058 820366971 /nfs/dbraw/zinc/36/69/71/820366971.db2.gz SQQBUFSVWKRYDA-UHFFFAOYSA-N 1 0 276.340 -0.329 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)Cn1nc(C)ccc1=O ZINC001171709932 820367237 /nfs/dbraw/zinc/36/72/37/820367237.db2.gz LRNOQDBQYHIDDN-UHFFFAOYSA-N 1 0 264.329 -0.166 20 30 CBEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172129624 820383516 /nfs/dbraw/zinc/38/35/16/820383516.db2.gz YITKGQQYFIFSEL-AZWZAMPBSA-N 1 0 269.345 -0.326 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174836051 820417544 /nfs/dbraw/zinc/41/75/44/820417544.db2.gz NSCCBRMMFVEQID-CQSZACIVSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=CCC1(C(=O)NCCC[NH2+]CC(N)=O)CCOCC1 ZINC001174828955 820417677 /nfs/dbraw/zinc/41/76/77/820417677.db2.gz YYGPIUGLKOQSDB-UHFFFAOYSA-N 1 0 283.372 -0.060 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175033309 820421770 /nfs/dbraw/zinc/42/17/70/820421770.db2.gz MLCFIURMWKBZMM-GHMZBOCLSA-N 1 0 298.387 -0.573 20 30 CBEDRO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(N)=O ZINC001175024158 820422012 /nfs/dbraw/zinc/42/20/12/820422012.db2.gz YRYXZFRJUUNSEZ-NSHDSACASA-N 1 0 271.361 -0.061 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001175259581 820424385 /nfs/dbraw/zinc/42/43/85/820424385.db2.gz BZXZXPLCYMRGBY-MFKMUULPSA-N 1 0 276.296 -0.153 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175556764 820428456 /nfs/dbraw/zinc/42/84/56/820428456.db2.gz IEFXAHJXJKJWHT-UHFFFAOYSA-N 1 0 282.344 -0.448 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175550010 820428549 /nfs/dbraw/zinc/42/85/49/820428549.db2.gz YZCALMXEVVDMTH-UHFFFAOYSA-N 1 0 268.317 -0.790 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001175549124 820428625 /nfs/dbraw/zinc/42/86/25/820428625.db2.gz DJOFLKXDVSMALR-UHFFFAOYSA-N 1 0 268.317 -0.838 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001175574838 820429452 /nfs/dbraw/zinc/42/94/52/820429452.db2.gz DEJKFZZADBQUIT-VIFPVBQESA-N 1 0 268.317 -0.744 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)CCOC ZINC001176461440 820449139 /nfs/dbraw/zinc/44/91/39/820449139.db2.gz IMEJHYGZULQZBJ-OLZOCXBDSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001176530477 820451368 /nfs/dbraw/zinc/45/13/68/820451368.db2.gz JXXHCUPPNNCQBT-ZDUSSCGKSA-N 1 0 281.356 -0.647 20 30 CBEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176487505 820451684 /nfs/dbraw/zinc/45/16/84/820451684.db2.gz SGUWCLMDMNWCJD-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001176637121 820455175 /nfs/dbraw/zinc/45/51/75/820455175.db2.gz YDZOTVFBMMESSA-CYBMUJFWSA-N 1 0 267.373 -0.174 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CCS(=O)(=O)N(C)C ZINC001176821825 820457100 /nfs/dbraw/zinc/45/71/00/820457100.db2.gz PXJVPKFOXKEYCE-UHFFFAOYSA-N 1 0 289.401 -0.613 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CCS(=O)(=O)N(C)C ZINC001176822147 820457472 /nfs/dbraw/zinc/45/74/72/820457472.db2.gz XDLYUKIILLIHPA-UHFFFAOYSA-N 1 0 291.417 -0.060 20 30 CBEDRO CNC(=O)NC(C)(C)C(=O)NCCC[NH2+]CC#CCOC ZINC001176898510 820476403 /nfs/dbraw/zinc/47/64/03/820476403.db2.gz UJCJZBKDVLZXTJ-UHFFFAOYSA-N 1 0 298.387 -0.560 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CNC(=O)Cn1cncn1 ZINC001176902990 820477868 /nfs/dbraw/zinc/47/78/68/820477868.db2.gz XNXRLEZPHDWAEV-UHFFFAOYSA-N 1 0 294.359 -0.934 20 30 CBEDRO C=C(C)CC[NH2+]CCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001176956063 820482742 /nfs/dbraw/zinc/48/27/42/820482742.db2.gz LSTSIUSDISZXEK-UHFFFAOYSA-N 1 0 294.359 -0.561 20 30 CBEDRO CCOCCOCC(=O)NCCC[NH2+]CC#CCOC ZINC001177034355 820488677 /nfs/dbraw/zinc/48/86/77/820488677.db2.gz VFMWLSCHHYLHIQ-UHFFFAOYSA-N 1 0 286.372 -0.215 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001177069416 820491095 /nfs/dbraw/zinc/49/10/95/820491095.db2.gz MOUPTAJBTIZGPK-LLVKDONJSA-N 1 0 274.386 -0.214 20 30 CBEDRO C#CCN1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177079791 820492196 /nfs/dbraw/zinc/49/21/96/820492196.db2.gz GHWZFVPLFMKGEN-UONOGXRCSA-N 1 0 279.384 -0.127 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001177269906 820500732 /nfs/dbraw/zinc/50/07/32/820500732.db2.gz YLGXSIWSBWDZCM-JTQLQIEISA-N 1 0 282.348 -0.603 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001177273659 820501218 /nfs/dbraw/zinc/50/12/18/820501218.db2.gz 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/nfs/dbraw/zinc/55/73/06/820557306.db2.gz PHEGCELMIPZHQR-JTQLQIEISA-N 1 0 254.334 -0.102 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CCCO1 ZINC001178065333 820559397 /nfs/dbraw/zinc/55/93/97/820559397.db2.gz ADOXVSRMNNJJQP-SDDRHHMPSA-N 1 0 294.355 -0.616 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC001178102006 820563428 /nfs/dbraw/zinc/56/34/28/820563428.db2.gz LUQNZENAYOMQQK-RYUDHWBXSA-N 1 0 288.351 -0.043 20 30 CBEDRO CS[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178174356 820566741 /nfs/dbraw/zinc/56/67/41/820566741.db2.gz FVHXYSAZPSZCKW-DCAQKATOSA-N 1 0 298.412 -0.043 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CSCC#N)[C@H]1C ZINC001178147412 820567524 /nfs/dbraw/zinc/56/75/24/820567524.db2.gz BESFRCJLBUEXJI-UWVGGRQHSA-N 1 0 284.385 -0.432 20 30 CBEDRO CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178179340 820567690 /nfs/dbraw/zinc/56/76/90/820567690.db2.gz PRSICMXQPDMVGS-SRVKXCTJSA-N 1 0 296.371 -0.370 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)[C@H]1C ZINC001178224636 820570289 /nfs/dbraw/zinc/57/02/89/820570289.db2.gz DRHLFTWDHHMYAS-SRVKXCTJSA-N 1 0 281.356 -0.650 20 30 CBEDRO CC[C@@H](OC)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178281929 820572287 /nfs/dbraw/zinc/57/22/87/820572287.db2.gz FJTJTMKRYRBXKP-SDDRHHMPSA-N 1 0 296.371 -0.370 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCOC1 ZINC001178282483 820573933 /nfs/dbraw/zinc/57/39/33/820573933.db2.gz OHJVKYUZGUQGQK-TUAOUCFPSA-N 1 0 294.355 -0.758 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178335917 820575421 /nfs/dbraw/zinc/57/54/21/820575421.db2.gz MELYAXMAJXWNRY-QWRGUYRKSA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CCOC)[C@@H]1C ZINC001178508460 820583118 /nfs/dbraw/zinc/58/31/18/820583118.db2.gz FGJUFQGGVRYMGB-RYUDHWBXSA-N 1 0 281.356 -0.649 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H]1C ZINC001178488803 820583242 /nfs/dbraw/zinc/58/32/42/820583242.db2.gz GFQGJOIICIKYCS-MELADBBJSA-N 1 0 279.384 -0.081 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001178499825 820583668 /nfs/dbraw/zinc/58/36/68/820583668.db2.gz DRPVYEKPTOVHHK-CABZTGNLSA-N 1 0 289.339 -0.175 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CC(=O)NCC#C)[C@H]1C ZINC001178508820 820584909 /nfs/dbraw/zinc/58/49/09/820584909.db2.gz XPOALFDILRDYQE-STQMWFEESA-N 1 0 275.352 -0.272 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178605126 820591986 /nfs/dbraw/zinc/59/19/86/820591986.db2.gz GFBNZKSXGHJTFS-GARJFASQSA-N 1 0 265.313 -0.303 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001178674889 820593136 /nfs/dbraw/zinc/59/31/36/820593136.db2.gz ARLFLZUEQWQHLW-AVGNSLFASA-N 1 0 268.357 -0.014 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)C#CC1CC1 ZINC001178648562 820593592 /nfs/dbraw/zinc/59/35/92/820593592.db2.gz GJUVQEVIKBIFLE-JSGCOSHPSA-N 1 0 280.368 -0.012 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001178675705 820593876 /nfs/dbraw/zinc/59/38/76/820593876.db2.gz YXFHOTBETZVHNP-SRVKXCTJSA-N 1 0 254.330 -0.404 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001178678422 820594203 /nfs/dbraw/zinc/59/42/03/820594203.db2.gz JFUGRGTUKBRXNL-DGAVXFQQSA-N 1 0 298.383 -0.389 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC(C)C)[C@H]1C ZINC001178645963 820594492 /nfs/dbraw/zinc/59/44/92/820594492.db2.gz WFOHIFGEJHDAGL-RYUDHWBXSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC)[C@@H]1C ZINC001178684938 820596249 /nfs/dbraw/zinc/59/62/49/820596249.db2.gz MKXZWLWULOZWAF-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715797 820598647 /nfs/dbraw/zinc/59/86/47/820598647.db2.gz IKZCQXZBMUBNJJ-RYUDHWBXSA-N 1 0 294.359 -0.545 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178767932 820599758 /nfs/dbraw/zinc/59/97/58/820599758.db2.gz JFENTHJBYOSPCV-SRVKXCTJSA-N 1 0 281.356 -0.650 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCNS(C)(=O)=O)[C@H]1C ZINC001178832376 820602252 /nfs/dbraw/zinc/60/22/52/820602252.db2.gz OIFXPEFNMWDWAA-QWRGUYRKSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178830104 820602810 /nfs/dbraw/zinc/60/28/10/820602810.db2.gz LQPMCWOAPIIUSC-RYUDHWBXSA-N 1 0 281.356 -0.697 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CCNC(=O)COC)[C@H]1C ZINC001178829657 820603233 /nfs/dbraw/zinc/60/32/33/820603233.db2.gz DNPRDGWMYYOZDL-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001178921526 820603887 /nfs/dbraw/zinc/60/38/87/820603887.db2.gz VSISWZORWWYIEZ-RYUDHWBXSA-N 1 0 288.351 -0.004 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)[C@H]1C ZINC001178921443 820604459 /nfs/dbraw/zinc/60/44/59/820604459.db2.gz PMGYRKHNRVODJJ-RYUDHWBXSA-N 1 0 288.351 -0.004 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001178916345 820604852 /nfs/dbraw/zinc/60/48/52/820604852.db2.gz UMIGIIFZGASGFO-DCAQKATOSA-N 1 0 292.339 -0.813 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1C ZINC001179010195 820614494 /nfs/dbraw/zinc/61/44/94/820614494.db2.gz UXMSNHGHBSSOBK-JQWIXIFHSA-N 1 0 296.371 -0.996 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnco2)[C@H]1C ZINC001179253566 820622406 /nfs/dbraw/zinc/62/24/06/820622406.db2.gz VKGNXAUOLPRTNV-QWRGUYRKSA-N 1 0 290.323 -0.383 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179299856 820623231 /nfs/dbraw/zinc/62/32/31/820623231.db2.gz BKCRKVINLGBBKK-SRVKXCTJSA-N 1 0 278.356 -0.388 20 30 CBEDRO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179304220 820623533 /nfs/dbraw/zinc/62/35/33/820623533.db2.gz XOMMGNZADCWIEE-KXNHARMFSA-N 1 0 278.356 -0.139 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431278 820627566 /nfs/dbraw/zinc/62/75/66/820627566.db2.gz SYQHMCRRTPQNLR-DCAQKATOSA-N 1 0 264.329 -0.730 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001179529740 820632220 /nfs/dbraw/zinc/63/22/20/820632220.db2.gz DMFHRJSDWYUACV-ZDEQEGDKSA-N 1 0 293.367 -0.378 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179706536 820637656 /nfs/dbraw/zinc/63/76/56/820637656.db2.gz CUEVPAUJMXQNQW-RYUDHWBXSA-N 1 0 291.355 -0.343 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@H]1C ZINC001179667119 820638651 /nfs/dbraw/zinc/63/86/51/820638651.db2.gz RLBQIMOYSTUFPM-DLOVCJGASA-N 1 0 296.371 -0.869 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)CCn1cnnn1 ZINC001179891852 820644257 /nfs/dbraw/zinc/64/42/57/820644257.db2.gz FLBKWVAEAPDTHL-UHFFFAOYSA-N 1 0 278.360 -0.037 20 30 CBEDRO C[C@H]1[C@@H](NCC#N)CCN1C(=O)COCC[NH+](C)C ZINC001179929143 820647241 /nfs/dbraw/zinc/64/72/41/820647241.db2.gz FBRFIIMGUGSWAN-RYUDHWBXSA-N 1 0 268.361 -0.333 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@H]1C ZINC001180069732 820650091 /nfs/dbraw/zinc/65/00/91/820650091.db2.gz FHZGAEWTZOCGEB-RYUDHWBXSA-N 1 0 288.351 -0.004 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096025 820650701 /nfs/dbraw/zinc/65/07/01/820650701.db2.gz BNQYGQXDLPKIDI-RYUDHWBXSA-N 1 0 296.371 -0.726 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CC)[C@H]1C ZINC001180217198 820653415 /nfs/dbraw/zinc/65/34/15/820653415.db2.gz XCELJSJFAMFNEW-QWRGUYRKSA-N 1 0 272.370 -0.367 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C ZINC001180291239 820666696 /nfs/dbraw/zinc/66/66/96/820666696.db2.gz BJRZYRBFPSLPET-QWRGUYRKSA-N 1 0 251.330 -0.146 20 30 CBEDRO CC(C)[NH+]1CCN(CC(=O)N2CCNC[C@H]2C#N)CC1 ZINC001180345175 820670105 /nfs/dbraw/zinc/67/01/05/820670105.db2.gz JZFMJPUDIGXANM-CYBMUJFWSA-N 1 0 279.388 -0.664 20 30 CBEDRO CC(C)[NH+]1CCN(CC(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001180346617 820670404 /nfs/dbraw/zinc/67/04/04/820670404.db2.gz 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C=CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001181617898 820805125 /nfs/dbraw/zinc/80/51/25/820805125.db2.gz HSOCHTTYGPKGBG-VXGBXAGGSA-N 1 0 272.345 -0.613 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001181618140 820805178 /nfs/dbraw/zinc/80/51/78/820805178.db2.gz MIYFXKLLBXQDMA-GFCCVEGCSA-N 1 0 279.344 -0.329 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)COC)C1 ZINC001181623947 820805346 /nfs/dbraw/zinc/80/53/46/820805346.db2.gz BZFGRVRXVCZKAF-NWDGAFQWSA-N 1 0 281.356 -0.791 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001181618062 820805703 /nfs/dbraw/zinc/80/57/03/820805703.db2.gz JZOOXNXXEAIVBU-MNOVXSKESA-N 1 0 295.339 -0.815 20 30 CBEDRO CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181652652 820806397 /nfs/dbraw/zinc/80/63/97/820806397.db2.gz NXVPEDMEPOKEMJ-NWDGAFQWSA-N 1 0 296.371 -0.511 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001181652590 820806573 /nfs/dbraw/zinc/80/65/73/820806573.db2.gz NDMZWERNGNVLBP-MWLCHTKSSA-N 1 0 264.329 -0.385 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001181644272 820807751 /nfs/dbraw/zinc/80/77/51/820807751.db2.gz LLICTHNXKJLDNY-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001181698935 820814062 /nfs/dbraw/zinc/81/40/62/820814062.db2.gz SKHPNFPQKZIVAL-NXEZZACHSA-N 1 0 291.311 -0.037 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181709713 820817317 /nfs/dbraw/zinc/81/73/17/820817317.db2.gz VXTPCRWCWNFMOH-CYBMUJFWSA-N 1 0 284.356 -0.510 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716327 820817407 /nfs/dbraw/zinc/81/74/07/820817407.db2.gz JMUDJGGOIJSYQZ-LLVKDONJSA-N 1 0 289.339 -0.487 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001181761269 820824510 /nfs/dbraw/zinc/82/45/10/820824510.db2.gz YLSJSHVDEHRFMF-QWHCGFSZSA-N 1 0 293.367 -0.647 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001181768402 820825116 /nfs/dbraw/zinc/82/51/16/820825116.db2.gz FACXJANDRYYLMQ-GFCCVEGCSA-N 1 0 292.339 -0.290 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181821800 820833948 /nfs/dbraw/zinc/83/39/48/820833948.db2.gz IMNDVSXEBFRHLR-CHWSQXEVSA-N 1 0 265.357 -0.469 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181877819 820835452 /nfs/dbraw/zinc/83/54/52/820835452.db2.gz CLCTXNNYUSTBSX-VXGBXAGGSA-N 1 0 292.339 -0.302 20 30 CBEDRO CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181879068 820835481 /nfs/dbraw/zinc/83/54/81/820835481.db2.gz NIENDETXPHNZSN-LLVKDONJSA-N 1 0 289.339 -0.221 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001181917273 820839998 /nfs/dbraw/zinc/83/99/98/820839998.db2.gz PZVKSJNRRLEKKD-LLVKDONJSA-N 1 0 261.329 -0.049 20 30 CBEDRO C#Cc1cnc(NC(=O)C2(O)CC[NH+](C)CC2)c(C#C)n1 ZINC001182027804 820851397 /nfs/dbraw/zinc/85/13/97/820851397.db2.gz FRVYIOSMZGAYIW-UHFFFAOYSA-N 1 0 284.319 -0.166 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CCC=C)C1 ZINC001182145832 820881534 /nfs/dbraw/zinc/88/15/34/820881534.db2.gz XXKBDLPGSRLFFE-GFCCVEGCSA-N 1 0 263.341 -0.108 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001182145213 820881647 /nfs/dbraw/zinc/88/16/47/820881647.db2.gz KCZKKIMHWSIAJY-GFCCVEGCSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC001182250341 820892669 /nfs/dbraw/zinc/89/26/69/820892669.db2.gz RQXGGARVCYXNHK-GFCCVEGCSA-N 1 0 288.351 -0.123 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001182229961 820893422 /nfs/dbraw/zinc/89/34/22/820893422.db2.gz YSLMJRQRGUSOSV-GFCCVEGCSA-N 1 0 268.357 -0.012 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302237 820894856 /nfs/dbraw/zinc/89/48/56/820894856.db2.gz BPOSGWQIVRZTCC-LLVKDONJSA-N 1 0 277.328 -0.731 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182531017 820925362 /nfs/dbraw/zinc/92/53/62/820925362.db2.gz RONAGRKSFBUURA-VHSXEESVSA-N 1 0 252.318 -0.743 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182389090 820911593 /nfs/dbraw/zinc/91/15/93/820911593.db2.gz PNUXBMAHPABSBF-CYBMUJFWSA-N 1 0 275.352 -0.108 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001182388426 820911852 /nfs/dbraw/zinc/91/18/52/820911852.db2.gz FRJFEYOAPHORPE-ZYHUDNBSSA-N 1 0 263.341 -0.275 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001182414820 820914471 /nfs/dbraw/zinc/91/44/71/820914471.db2.gz QILGTZXWMMDGHT-LLVKDONJSA-N 1 0 265.357 -0.028 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182423209 820915689 /nfs/dbraw/zinc/91/56/89/820915689.db2.gz WBBWOWLLJBAYGL-CHWSQXEVSA-N 1 0 268.357 -0.156 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001182423210 820915935 /nfs/dbraw/zinc/91/59/35/820915935.db2.gz WBBWOWLLJBAYGL-OLZOCXBDSA-N 1 0 268.357 -0.156 20 30 CBEDRO CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001182437830 820919154 /nfs/dbraw/zinc/91/91/54/820919154.db2.gz SOHHHLOIFIXMGH-LALPHHSUSA-N 1 0 292.383 -0.235 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001182457145 820920255 /nfs/dbraw/zinc/92/02/55/820920255.db2.gz XIQJESAGZDFNNB-BXUZGUMPSA-N 1 0 277.368 -0.041 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](NCc2ncnn2C)C1 ZINC001182497134 820924035 /nfs/dbraw/zinc/92/40/35/820924035.db2.gz YWCRFYUTXVRPRL-GFCCVEGCSA-N 1 0 291.355 -0.455 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001182514276 820925494 /nfs/dbraw/zinc/92/54/94/820925494.db2.gz NVQJHKWCMWBWOJ-NWDGAFQWSA-N 1 0 254.330 -0.402 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCS(=O)(=O)NC)C1 ZINC001182531101 820925869 /nfs/dbraw/zinc/92/58/69/820925869.db2.gz UICKCWKNHVXJNQ-LLVKDONJSA-N 1 0 287.385 -0.861 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182522277 820926164 /nfs/dbraw/zinc/92/61/64/820926164.db2.gz GIQUVOBKNGGKIJ-GFCCVEGCSA-N 1 0 254.330 -0.401 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182562951 820927892 /nfs/dbraw/zinc/92/78/92/820927892.db2.gz YUJUOKARUOXZOO-WDEREUQCSA-N 1 0 266.345 -0.353 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001182803799 820944216 /nfs/dbraw/zinc/94/42/16/820944216.db2.gz WUVOMTPRRYJRIE-GHMZBOCLSA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182974210 820956265 /nfs/dbraw/zinc/95/62/65/820956265.db2.gz YKIVHUPHUPDLMY-VXGBXAGGSA-N 1 0 263.341 -0.322 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001182986188 820956862 /nfs/dbraw/zinc/95/68/62/820956862.db2.gz IGFRMJHHPNBSNW-TZMCWYRMSA-N 1 0 290.371 -0.229 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001183015794 820962996 /nfs/dbraw/zinc/96/29/96/820962996.db2.gz NAMBDOJYRFXKMD-GFCCVEGCSA-N 1 0 281.356 -0.695 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001183016323 820963046 /nfs/dbraw/zinc/96/30/46/820963046.db2.gz 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CC#CC[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001183822472 821034190 /nfs/dbraw/zinc/03/41/90/821034190.db2.gz LQGMHDHFIMRDDM-NWDGAFQWSA-N 1 0 280.372 -0.248 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CNC(N)=O)C[C@H]1C ZINC001183861903 821035930 /nfs/dbraw/zinc/03/59/30/821035930.db2.gz SSQJNFDMEHAKBJ-MNOVXSKESA-N 1 0 266.345 -0.638 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001183850549 821036195 /nfs/dbraw/zinc/03/61/95/821036195.db2.gz RRGUZDLCRGUEEM-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CNC(N)=O)C[C@@H]1C ZINC001183861465 821036249 /nfs/dbraw/zinc/03/62/49/821036249.db2.gz PMPXHNZHEIFPKG-WDEREUQCSA-N 1 0 268.361 -0.085 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C ZINC001184097758 821054089 /nfs/dbraw/zinc/05/40/89/821054089.db2.gz FVMKXKULIUBGET-QWRGUYRKSA-N 1 0 251.330 -0.431 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC(N)=O)C[C@H]1C ZINC001184099741 821055659 /nfs/dbraw/zinc/05/56/59/821055659.db2.gz SUTLXYBUXQIWNU-NEPJUHHUSA-N 1 0 265.357 -0.041 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001184371002 821071925 /nfs/dbraw/zinc/07/19/25/821071925.db2.gz LQMPOMYEYRMUOL-LLVKDONJSA-N 1 0 292.314 -0.293 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001184400581 821074167 /nfs/dbraw/zinc/07/41/67/821074167.db2.gz YNYQLSUEBRHYDW-STQMWFEESA-N 1 0 290.371 -0.229 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1C ZINC001184460132 821076204 /nfs/dbraw/zinc/07/62/04/821076204.db2.gz NMMSPHKIEWSEFA-NWDGAFQWSA-N 1 0 298.408 -0.262 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184841874 821089584 /nfs/dbraw/zinc/08/95/84/821089584.db2.gz OJTLOHVQUWHQDS-LLVKDONJSA-N 1 0 292.339 -0.420 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001184867141 821090538 /nfs/dbraw/zinc/09/05/38/821090538.db2.gz CCGFZHZBXDNUDX-FDYHWXHSSA-N 1 0 277.368 -0.029 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001184956841 821092523 /nfs/dbraw/zinc/09/25/23/821092523.db2.gz UBLZTWZKXFTZBN-WDEREUQCSA-N 1 0 276.344 -0.469 20 30 CBEDRO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184925830 821092965 /nfs/dbraw/zinc/09/29/65/821092965.db2.gz YTHJVLMBKHLGNY-AXFHLTTASA-N 1 0 264.329 -0.527 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001184955804 821093353 /nfs/dbraw/zinc/09/33/53/821093353.db2.gz IMKZIRLEQSZSEY-VXGBXAGGSA-N 1 0 290.371 -0.079 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184981105 821094407 /nfs/dbraw/zinc/09/44/07/821094407.db2.gz FCDXJUJBXVVWOC-OLZOCXBDSA-N 1 0 293.367 -0.553 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041216 821096061 /nfs/dbraw/zinc/09/60/61/821096061.db2.gz BNIKSXCNERWPBG-CHWSQXEVSA-N 1 0 293.367 -0.695 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1C ZINC001185041343 821096855 /nfs/dbraw/zinc/09/68/55/821096855.db2.gz UHNDFZLDSPAVRO-RYUDHWBXSA-N 1 0 283.372 -0.252 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1C ZINC001185041344 821096996 /nfs/dbraw/zinc/09/69/96/821096996.db2.gz UHNDFZLDSPAVRO-VXGBXAGGSA-N 1 0 283.372 -0.252 20 30 CBEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185056490 821097075 /nfs/dbraw/zinc/09/70/75/821097075.db2.gz OBPBPQQVOAEVOU-GHMZBOCLSA-N 1 0 296.371 -0.026 20 30 CBEDRO C=CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185253662 821111461 /nfs/dbraw/zinc/11/14/61/821111461.db2.gz XJLQQFJLKFMQJF-ZDUSSCGKSA-N 1 0 266.389 -0.438 20 30 CBEDRO CN1CC[N@H+](C)C[C@H]1C(=O)NCc1ncc(C#N)s1 ZINC001185267990 821121711 /nfs/dbraw/zinc/12/17/11/821121711.db2.gz YMMXUCBFDMUFHW-JTQLQIEISA-N 1 0 279.369 -0.123 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185304322 821123051 /nfs/dbraw/zinc/12/30/51/821123051.db2.gz IXACIXUFAFLLEB-SNVBAGLBSA-N 1 0 275.374 -0.568 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185551178 821135082 /nfs/dbraw/zinc/13/50/82/821135082.db2.gz SMGJVZVUTHSSMK-VXGBXAGGSA-N 1 0 254.330 -0.138 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185632792 821135971 /nfs/dbraw/zinc/13/59/71/821135971.db2.gz FPCDKIQOMBGLHB-BXUZGUMPSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001185689423 821138754 /nfs/dbraw/zinc/13/87/54/821138754.db2.gz BYPFBIULMRXDGV-CYBMUJFWSA-N 1 0 275.356 -0.039 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001185759293 821139972 /nfs/dbraw/zinc/13/99/72/821139972.db2.gz QNXCBOSVDXAEPG-UPJWGTAASA-N 1 0 295.383 -0.096 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185919663 821144807 /nfs/dbraw/zinc/14/48/07/821144807.db2.gz YLTQSERGJWUYEH-GFCCVEGCSA-N 1 0 276.340 -0.208 20 30 CBEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941080 821147272 /nfs/dbraw/zinc/14/72/72/821147272.db2.gz RLLLHSVQSXVNAF-MNOVXSKESA-N 1 0 294.355 -0.259 20 30 CBEDRO C=CCN1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186039417 821153218 /nfs/dbraw/zinc/15/32/18/821153218.db2.gz XNKOTEQARYPAJN-GFCCVEGCSA-N 1 0 253.346 -0.617 20 30 CBEDRO C=CCN1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186039418 821153266 /nfs/dbraw/zinc/15/32/66/821153266.db2.gz XNKOTEQARYPAJN-LBPRGKRZSA-N 1 0 253.346 -0.617 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)C1 ZINC001186154979 821174631 /nfs/dbraw/zinc/17/46/31/821174631.db2.gz GYPJQQSRJBGIQU-OCCSQVGLSA-N 1 0 295.383 -0.403 20 30 CBEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC001186193953 821175407 /nfs/dbraw/zinc/17/54/07/821175407.db2.gz OMODIQZIXCXNOS-SNVBAGLBSA-N 1 0 289.401 -0.309 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001186222005 821176668 /nfs/dbraw/zinc/17/66/68/821176668.db2.gz SYBSQWFEULHPMY-FRRDWIJNSA-N 1 0 290.367 -0.137 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186304266 821177473 /nfs/dbraw/zinc/17/74/73/821177473.db2.gz LVCGYBSUWJQSEZ-LLVKDONJSA-N 1 0 279.340 -0.194 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186311673 821178285 /nfs/dbraw/zinc/17/82/85/821178285.db2.gz BCVYFZLCSBGCOG-LLVKDONJSA-N 1 0 277.328 -0.731 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303422 821178504 /nfs/dbraw/zinc/17/85/04/821178504.db2.gz DWGWIFVHSLXNAA-LLVKDONJSA-N 1 0 277.324 -0.747 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC12CCOCC2 ZINC001186319243 821178567 /nfs/dbraw/zinc/17/85/67/821178567.db2.gz DLMMBKANLHBQHQ-GFCCVEGCSA-N 1 0 293.367 -0.660 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186453105 821181684 /nfs/dbraw/zinc/18/16/84/821181684.db2.gz XHHPHIWAOMXSBX-NXEZZACHSA-N 1 0 292.343 -0.701 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(N)=O)CC12CCOCC2 ZINC001186464196 821183825 /nfs/dbraw/zinc/18/38/25/821183825.db2.gz HATHPIUWOCIRCO-GFCCVEGCSA-N 1 0 293.367 -0.660 20 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C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001283470352 828520903 /nfs/dbraw/zinc/52/09/03/828520903.db2.gz AGFGEJPAFDPMNX-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001283503579 828522955 /nfs/dbraw/zinc/52/29/55/828522955.db2.gz UXPZWMYLDYFZAM-DGCLKSJQSA-N 1 0 268.357 -0.156 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC1 ZINC001283556685 828525456 /nfs/dbraw/zinc/52/54/56/828525456.db2.gz WZZOFQAIIJUJJG-SNVBAGLBSA-N 1 0 296.371 -0.155 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1ccc[nH]1)[NH2+]CC(=O)NCC#N ZINC001283570796 828525967 /nfs/dbraw/zinc/52/59/67/828525967.db2.gz FKVSJPXOUYTSKW-JTQLQIEISA-N 1 0 277.328 -0.295 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC ZINC001283607813 828528366 /nfs/dbraw/zinc/52/83/66/828528366.db2.gz KFKVDDZHFSNZIG-NWDGAFQWSA-N 1 0 283.372 -0.403 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001283599410 828528409 /nfs/dbraw/zinc/52/84/09/828528409.db2.gz 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C#CCOC[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001251850991 825795277 /nfs/dbraw/zinc/79/52/77/825795277.db2.gz BBVUZXURHOLCEO-LBPRGKRZSA-N 1 0 294.351 -0.484 20 30 CBEDRO C#CCOC[C@H](O)CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001251851925 825796485 /nfs/dbraw/zinc/79/64/85/825796485.db2.gz WDZZSQFCPBZMBA-TZMCWYRMSA-N 1 0 268.357 -0.598 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001251857641 825796598 /nfs/dbraw/zinc/79/65/98/825796598.db2.gz HQXWXBGJYYQUFH-NEPJUHHUSA-N 1 0 271.313 -0.739 20 30 CBEDRO C#CCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001251857687 825796646 /nfs/dbraw/zinc/79/66/46/825796646.db2.gz IGFDPJOOQSOVMT-CHWSQXEVSA-N 1 0 264.329 -0.074 20 30 CBEDRO C#CCOC[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001251855627 825797342 /nfs/dbraw/zinc/79/73/42/825797342.db2.gz ZXHVDLYSBLSVRY-NSHDSACASA-N 1 0 268.313 -0.429 20 30 CBEDRO C#CCOC[C@@H](O)C[N@H+]1CCC[C@H](OCC(=O)NCC)C1 ZINC001251851936 825797598 /nfs/dbraw/zinc/79/75/98/825797598.db2.gz 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C#CCOC[C@H](O)C[NH2+][C@H](C)C(=O)N(CC)CC ZINC001251885291 825801236 /nfs/dbraw/zinc/80/12/36/825801236.db2.gz RWYGSEFNUCARBN-VXGBXAGGSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC001251884909 825801267 /nfs/dbraw/zinc/80/12/67/825801267.db2.gz JRRMOFWMPIMJGP-STQMWFEESA-N 1 0 262.309 -0.187 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001251885289 825801288 /nfs/dbraw/zinc/80/12/88/825801288.db2.gz RWYGSEFNUCARBN-NWDGAFQWSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CN(c2ncccn2)C1 ZINC001251890604 825801716 /nfs/dbraw/zinc/80/17/16/825801716.db2.gz DNXPWGQKGKPHBF-LBPRGKRZSA-N 1 0 262.313 -0.735 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cc(OC2COC2)ccn1 ZINC001251888293 825801854 /nfs/dbraw/zinc/80/18/54/825801854.db2.gz RGSGYHWYUVIWGT-CYBMUJFWSA-N 1 0 292.335 -0.041 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC001251890811 825801915 /nfs/dbraw/zinc/80/19/15/825801915.db2.gz IFCDGHIZMAFLNX-KBPBESRZSA-N 1 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/nfs/dbraw/zinc/80/22/42/825802242.db2.gz DLFJRCCCEJTLKC-CHWSQXEVSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC001251891430 825802875 /nfs/dbraw/zinc/80/28/75/825802875.db2.gz SEOQBCKHTDZPMT-NWDGAFQWSA-N 1 0 290.385 -0.989 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCN(C2COC2)C1 ZINC001251887401 825802886 /nfs/dbraw/zinc/80/28/86/825802886.db2.gz BYSMKURNWGWFKM-AAEUAGOBSA-N 1 0 254.330 -0.940 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001251893791 825803181 /nfs/dbraw/zinc/80/31/81/825803181.db2.gz JLDOVONQKLBOPC-ZDUSSCGKSA-N 1 0 283.372 -0.267 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]CCC(=O)NC(C)(C)C ZINC001251893323 825803299 /nfs/dbraw/zinc/80/32/99/825803299.db2.gz AZCUBDCILDDSIP-NSHDSACASA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001251893888 825803391 /nfs/dbraw/zinc/80/33/91/825803391.db2.gz MHCHDGUYYSJWAK-WOPDTQHZSA-N 1 0 255.314 -0.072 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1N1CCOCC1 ZINC001251896233 825803401 /nfs/dbraw/zinc/80/34/01/825803401.db2.gz DRHNCLIGCSPZPC-KFWWJZLASA-N 1 0 282.384 -0.160 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC001251891652 825803554 /nfs/dbraw/zinc/80/35/54/825803554.db2.gz WVXVHNAEZIARBX-WCQYABFASA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC001251891650 825803633 /nfs/dbraw/zinc/80/36/33/825803633.db2.gz WVXVHNAEZIARBX-AAEUAGOBSA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CCN(CCOC)CC1 ZINC001251896092 825804198 /nfs/dbraw/zinc/80/41/98/825804198.db2.gz AQIGGXLYZDHPKF-AWEZNQCLSA-N 1 0 270.373 -0.303 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1CN(c2cnccn2)C1 ZINC001251891708 825804402 /nfs/dbraw/zinc/80/44/02/825804402.db2.gz YBTYDWYVJXYUDC-GFCCVEGCSA-N 1 0 262.313 -0.735 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1N1CCOCC1 ZINC001251896235 825804474 /nfs/dbraw/zinc/80/44/74/825804474.db2.gz DRHNCLIGCSPZPC-RBSFLKMASA-N 1 0 282.384 -0.160 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1ccn(CCF)n1 ZINC001251900479 825805198 /nfs/dbraw/zinc/80/51/98/825805198.db2.gz SBAQBFLBVCHDEK-GFCCVEGCSA-N 1 0 255.293 -0.047 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]C1CCN(C(=O)NC)CC1 ZINC001251896718 825805402 /nfs/dbraw/zinc/80/54/02/825805402.db2.gz MAXYZRBYPVQSCO-GFCCVEGCSA-N 1 0 269.345 -0.610 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC)C1 ZINC001251896716 825805451 /nfs/dbraw/zinc/80/54/51/825805451.db2.gz MAPSVOMOJLIBFE-NWDGAFQWSA-N 1 0 254.330 -0.402 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]C1CN(c2ccncn2)C1 ZINC001251900094 825805499 /nfs/dbraw/zinc/80/54/99/825805499.db2.gz JEOIUAMNZWOZMO-LBPRGKRZSA-N 1 0 262.313 -0.735 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001251897238 825805977 /nfs/dbraw/zinc/80/59/77/825805977.db2.gz WDAAURUJJMMJBG-STQMWFEESA-N 1 0 268.357 -0.156 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC001251900738 825806043 /nfs/dbraw/zinc/80/60/43/825806043.db2.gz 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ZINC001252465320 825869070 /nfs/dbraw/zinc/86/90/70/825869070.db2.gz DSENRZUXFPTZMK-CYBMUJFWSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOC[C@@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC001252472917 825869571 /nfs/dbraw/zinc/86/95/71/825869571.db2.gz CMNKIRBECCYUQM-NSHDSACASA-N 1 0 273.329 -0.450 20 30 CBEDRO C=CCOC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)COC)C1 ZINC001252473977 825870329 /nfs/dbraw/zinc/87/03/29/825870329.db2.gz UJLORYPFLOEHFJ-CHWSQXEVSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001252485051 825870648 /nfs/dbraw/zinc/87/06/48/825870648.db2.gz AJJJXKBHXILSHH-MXWKQRLJSA-N 1 0 263.359 -0.285 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCN1C(=O)C=CC1=O ZINC001252486678 825870904 /nfs/dbraw/zinc/87/09/04/825870904.db2.gz GTPGGQADOMYNAZ-SNVBAGLBSA-N 1 0 254.286 -0.936 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001252481535 825870970 /nfs/dbraw/zinc/87/09/70/825870970.db2.gz CZWOBFHBYNQYJV-GFCCVEGCSA-N 1 0 292.401 -0.437 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001252491156 825872334 /nfs/dbraw/zinc/87/23/34/825872334.db2.gz PDIDSAHHEUZCBI-GFCCVEGCSA-N 1 0 298.339 -0.919 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC001252487857 825872601 /nfs/dbraw/zinc/87/26/01/825872601.db2.gz ARDKWJHUSCKEJJ-GFCCVEGCSA-N 1 0 292.401 -0.435 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCS(=O)(=O)N(C)C ZINC001252489150 825873051 /nfs/dbraw/zinc/87/30/51/825873051.db2.gz XDULKTWRJLRRBP-JTQLQIEISA-N 1 0 266.363 -0.969 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCOCCOCCO ZINC001252487688 825873231 /nfs/dbraw/zinc/87/32/31/825873231.db2.gz YGAWIKYQXIUZJO-GFCCVEGCSA-N 1 0 263.334 -0.835 20 30 CBEDRO C=CCOC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001252497689 825873516 /nfs/dbraw/zinc/87/35/16/825873516.db2.gz WYODUORACAXROZ-LLVKDONJSA-N 1 0 278.374 -0.825 20 30 CBEDRO C=CCOC[C@@H](O)C[NH2+]CCCCN1C(=O)C=CC1=O ZINC001252496793 825873929 /nfs/dbraw/zinc/87/39/29/825873929.db2.gz FCJXXGCJJQMXJK-LBPRGKRZSA-N 1 0 282.340 -0.155 20 30 CBEDRO C=C[C@](C)(O)C[NH+]1CCN(CCN2CCOCC2)CC1 ZINC001252555160 825875182 /nfs/dbraw/zinc/87/51/82/825875182.db2.gz PWOACVCWHFGHLU-HNNXBMFYSA-N 1 0 283.416 -0.127 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC001252576852 825875821 /nfs/dbraw/zinc/87/58/21/825875821.db2.gz OYRQBTWRAZZKSV-WDEREUQCSA-N 1 0 262.375 -0.063 20 30 CBEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC001252558383 825875960 /nfs/dbraw/zinc/87/59/60/825875960.db2.gz VESHPVZAOSKURL-GWCFXTLKSA-N 1 0 270.329 -0.323 20 30 CBEDRO C=C[C@@](C)(O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001252572034 825876746 /nfs/dbraw/zinc/87/67/46/825876746.db2.gz MLMHUHASDSUFEA-LLVKDONJSA-N 1 0 262.375 -0.063 20 30 CBEDRO N#C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC001252948025 825895948 /nfs/dbraw/zinc/89/59/48/825895948.db2.gz ILFMMHLWESPYKK-DZGCQCFKSA-N 1 0 288.351 -0.410 20 30 CBEDRO N#C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC001252948027 825896597 /nfs/dbraw/zinc/89/65/97/825896597.db2.gz ILFMMHLWESPYKK-UKRRQHHQSA-N 1 0 288.351 -0.410 20 30 CBEDRO C=C[C@H](O)C[N@H+]1CCC[C@@]2(CCC(=O)N2CC(=O)NC)C1 ZINC001253577626 825917223 /nfs/dbraw/zinc/91/72/23/825917223.db2.gz ONOYMJJVKDZQEP-SWLSCSKDSA-N 1 0 295.383 -0.264 20 30 CBEDRO C=C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001253578167 825917481 /nfs/dbraw/zinc/91/74/81/825917481.db2.gz WMJCUCFGBZPTOJ-RQJABVFESA-N 1 0 296.367 -0.108 20 30 CBEDRO C=C[C@H](O)C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC ZINC001253607952 825918615 /nfs/dbraw/zinc/91/86/15/825918615.db2.gz HLNOJZQYTYZDMF-DCAQKATOSA-N 1 0 270.329 -0.325 20 30 CBEDRO C=C[C@H](O)C[NH2+]CCOCCOCCOCCOC ZINC001253604159 825919782 /nfs/dbraw/zinc/91/97/82/825919782.db2.gz GYQIMLLLOLPAQP-ZDUSSCGKSA-N 1 0 277.361 -0.181 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H]1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12 ZINC001253601883 825919932 /nfs/dbraw/zinc/91/99/32/825919932.db2.gz YLCFOPDDVFHYFN-NAWOPXAZSA-N 1 0 287.356 -0.207 20 30 CBEDRO C#CCOCCOCC[NH2+]C[C@@H](O)CC(=O)OCC 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COCCO[C@H]1CCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001256585546 826026873 /nfs/dbraw/zinc/02/68/73/826026873.db2.gz RWVDCBALRGQRCS-ZDUSSCGKSA-N 1 0 283.372 -0.002 20 30 CBEDRO CO[C@@H]1COCC[C@H]1N(C)C(=O)NCC#CC[NH+](C)C ZINC001256584749 826026916 /nfs/dbraw/zinc/02/69/16/826026916.db2.gz JOZUVCVUCQPXKE-CHWSQXEVSA-N 1 0 283.372 -0.003 20 30 CBEDRO C[C@@H]1CN(CCNC(=O)NCC#CC[NH+](C)C)[C@@H](C)CO1 ZINC001256584911 826027630 /nfs/dbraw/zinc/02/76/30/826027630.db2.gz KQUZHNKCYXRBEI-UONOGXRCSA-N 1 0 296.415 -0.040 20 30 CBEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)NCC(N)=O ZINC001256962788 826036129 /nfs/dbraw/zinc/03/61/29/826036129.db2.gz YFFRVYRYLQMBCR-IDKOKCKLSA-N 1 0 252.318 -0.352 20 30 CBEDRO CCCCC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257502122 826048633 /nfs/dbraw/zinc/04/86/33/826048633.db2.gz SJVDJIUBPLWRLF-KIJLLGNVSA-N 1 0 277.361 -0.813 20 30 CBEDRO N#Cc1cccc(S(=O)(=O)NCCN2CC[C@@H](O)C2)c1 ZINC001259127182 826091047 /nfs/dbraw/zinc/09/10/47/826091047.db2.gz GNNFZGJJVUZBOZ-GFCCVEGCSA-N 1 0 295.364 -0.097 20 30 CBEDRO C#CCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001259464235 826095784 /nfs/dbraw/zinc/09/57/84/826095784.db2.gz JGEUWBSJKQHEKS-CYBMUJFWSA-N 1 0 294.399 -0.732 20 30 CBEDRO C=CCS(=O)(=O)N(C)CCN1CC[NH+](C)CC1 ZINC001259928054 826108851 /nfs/dbraw/zinc/10/88/51/826108851.db2.gz JMBKTDOLWSPQJU-UHFFFAOYSA-N 1 0 261.391 -0.319 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC001261154094 826490555 /nfs/dbraw/zinc/49/05/55/826490555.db2.gz DJAURJBKOSHGLO-LLVKDONJSA-N 1 0 271.361 -0.286 20 30 CBEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001261197914 826493154 /nfs/dbraw/zinc/49/31/54/826493154.db2.gz YJFYGULXLJYMIT-NEPJUHHUSA-N 1 0 296.371 -0.416 20 30 CBEDRO CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[NH2+]1 ZINC001261424168 826511432 /nfs/dbraw/zinc/51/14/32/826511432.db2.gz OXISHPSRKIYSIN-NWDGAFQWSA-N 1 0 294.355 -0.806 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1COCCO1 ZINC001261436212 826512589 /nfs/dbraw/zinc/51/25/89/826512589.db2.gz UJHFJISNLBODOV-NEPJUHHUSA-N 1 0 257.334 -0.802 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C(N)=O)nc1 ZINC001261462657 826518184 /nfs/dbraw/zinc/51/81/84/826518184.db2.gz YJZJAHGXTGPJJF-SCZZXKLOSA-N 1 0 259.269 -0.978 20 30 CBEDRO C=C(CO)C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001261499578 826526521 /nfs/dbraw/zinc/52/65/21/826526521.db2.gz OSNZIDHCEHXEBA-GFCCVEGCSA-N 1 0 281.356 -0.654 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001261524526 826532253 /nfs/dbraw/zinc/53/22/53/826532253.db2.gz CHAJGPVBYRQJSZ-NSHDSACASA-N 1 0 279.340 -0.908 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC001261627463 826547595 /nfs/dbraw/zinc/54/75/95/826547595.db2.gz YMCQVPCXOSCEFE-UHFFFAOYSA-N 1 0 271.361 -0.252 20 30 CBEDRO C=CCOCCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC001261633306 826549386 /nfs/dbraw/zinc/54/93/86/826549386.db2.gz CHNLNODPJQASCZ-UHFFFAOYSA-N 1 0 255.318 -0.827 20 30 CBEDRO C=CCN(C(=O)C(=O)NCCC[NH2+]C)[C@H](C)COC 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20 30 CBEDRO C#CCSCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001261820692 826587881 /nfs/dbraw/zinc/58/78/81/826587881.db2.gz HJJYGYHOXQPECC-GHMZBOCLSA-N 1 0 283.397 -0.274 20 30 CBEDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)C[NH2+]1 ZINC001261823893 826590374 /nfs/dbraw/zinc/59/03/74/826590374.db2.gz LVZXZFFYTHMQPD-GIPNMCIBSA-N 1 0 282.319 -0.293 20 30 CBEDRO COCC#CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001261830798 826592626 /nfs/dbraw/zinc/59/26/26/826592626.db2.gz IWXXYQXPOFJAEK-NSHDSACASA-N 1 0 267.329 -0.908 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC001261838117 826596299 /nfs/dbraw/zinc/59/62/99/826596299.db2.gz XIWQTSSFUFQJHP-GFCCVEGCSA-N 1 0 299.371 -0.776 20 30 CBEDRO C=CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001261934629 826611943 /nfs/dbraw/zinc/61/19/43/826611943.db2.gz UPZOISZSABJWQI-QWHCGFSZSA-N 1 0 295.383 -0.142 20 30 CBEDRO C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCCO)CC2)C1=O ZINC001262015310 826620215 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C=CC[NH2+]C[C@H](O)CNC(=O)c1coc(C(N)=O)c1 ZINC001268316992 827295157 /nfs/dbraw/zinc/29/51/57/827295157.db2.gz JVINXADNUHHYHT-VIFPVBQESA-N 1 0 267.285 -0.755 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001268318390 827296394 /nfs/dbraw/zinc/29/63/94/827296394.db2.gz PTXYBHHBQFLVAG-LLVKDONJSA-N 1 0 277.324 -0.282 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1cnoc1 ZINC001268318823 827296701 /nfs/dbraw/zinc/29/67/01/827296701.db2.gz COBDKYDIHCOMLT-NSHDSACASA-N 1 0 253.302 -0.140 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001268317629 827297352 /nfs/dbraw/zinc/29/73/52/827297352.db2.gz RDNCKEOOZSGJLY-JTQLQIEISA-N 1 0 278.312 -0.887 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001268320479 827297758 /nfs/dbraw/zinc/29/77/58/827297758.db2.gz PBMVZOZZKIUAPT-QWHCGFSZSA-N 1 0 297.399 -0.277 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nnn(C(C)C)c1C ZINC001268325533 827300707 /nfs/dbraw/zinc/30/07/07/827300707.db2.gz 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291.355 -0.497 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001271859893 827731666 /nfs/dbraw/zinc/73/16/66/827731666.db2.gz DFDFVEFLZJAHKP-RYUDHWBXSA-N 1 0 286.397 -0.215 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)C1(C(=O)NC)CC1)C(C)C ZINC001271907687 827733674 /nfs/dbraw/zinc/73/36/74/827733674.db2.gz INFFDLWFHDGGJX-LLVKDONJSA-N 1 0 265.357 -0.124 20 30 CBEDRO C=CCCOCC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001271898652 827733715 /nfs/dbraw/zinc/73/37/15/827733715.db2.gz RBSRALJLWKPFSF-RWMBFGLXSA-N 1 0 295.383 -0.157 20 30 CBEDRO COCC#CC[NH2+][C@@H](CNC(=O)c1cnn(C)n1)C(C)C ZINC001271916978 827735973 /nfs/dbraw/zinc/73/59/73/827735973.db2.gz ZJSCXMLAFNIVQJ-LBPRGKRZSA-N 1 0 293.371 -0.191 20 30 CBEDRO C#CCC[N@H+]1CCC[C@](CO)(NC(=O)COCC)C1 ZINC001271940600 827737120 /nfs/dbraw/zinc/73/71/20/827737120.db2.gz JNZHHCKDNUAJJK-AWEZNQCLSA-N 1 0 268.357 -0.011 20 30 CBEDRO C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CNC(C)=O)C1 ZINC001271943367 827737928 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C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001272295345 827777432 /nfs/dbraw/zinc/77/74/32/827777432.db2.gz PKVIKHGMXSLHFC-GFCCVEGCSA-N 1 0 290.367 -0.442 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001272289287 827777538 /nfs/dbraw/zinc/77/75/38/827777538.db2.gz BJSLXLVFEGKSOX-TZMCWYRMSA-N 1 0 266.341 -0.543 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)c1cnn(C)c1 ZINC001272322169 827780813 /nfs/dbraw/zinc/78/08/13/827780813.db2.gz PANRCCPFNFDUJT-GFCCVEGCSA-N 1 0 278.356 -0.433 20 30 CBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001272381535 827788206 /nfs/dbraw/zinc/78/82/06/827788206.db2.gz SUROFTCAQOHQDV-NWDGAFQWSA-N 1 0 283.372 -0.360 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001272380002 827788303 /nfs/dbraw/zinc/78/83/03/827788303.db2.gz LGLSDIXKYNJBKR-JQWIXIFHSA-N 1 0 262.313 -0.192 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001272379606 827788797 /nfs/dbraw/zinc/78/87/97/827788797.db2.gz KGKFAPKAISRYDP-LLVKDONJSA-N 1 0 264.329 -0.270 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001272379301 827788994 /nfs/dbraw/zinc/78/89/94/827788994.db2.gz JFOPIFJWEARBSX-LLVKDONJSA-N 1 0 285.388 -0.066 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH2+]CCCN1CCCC1=O ZINC001272380135 827789182 /nfs/dbraw/zinc/78/91/82/827789182.db2.gz MEPIQXJZDXNFED-NWDGAFQWSA-N 1 0 296.371 -0.775 20 30 CBEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)CC(N)=O)c1 ZINC001272389429 827789882 /nfs/dbraw/zinc/78/98/82/827789882.db2.gz NIEUAYDFUYVFMZ-GFCCVEGCSA-N 1 0 290.323 -1.000 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001272399273 827791829 /nfs/dbraw/zinc/79/18/29/827791829.db2.gz WXTJIHDWJQEIRJ-GHMZBOCLSA-N 1 0 268.313 -0.970 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCn1ccnn1 ZINC001272406843 827793266 /nfs/dbraw/zinc/79/32/66/827793266.db2.gz QWYUKGKCVCPHSQ-NSHDSACASA-N 1 0 267.333 -0.689 20 30 CBEDRO COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001272406907 827793470 /nfs/dbraw/zinc/79/34/70/827793470.db2.gz RRLKKJRJJNMDIH-NWDGAFQWSA-N 1 0 256.346 -0.253 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)/C=C(/C)CC ZINC001272406267 827793491 /nfs/dbraw/zinc/79/34/91/827793491.db2.gz HQYRZKPOZMWAKH-WDSMJVJCSA-N 1 0 295.383 -0.453 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001272414511 827795098 /nfs/dbraw/zinc/79/50/98/827795098.db2.gz PTQAKRJWKXGHLB-NEPJUHHUSA-N 1 0 272.345 -0.565 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001272434313 827795526 /nfs/dbraw/zinc/79/55/26/827795526.db2.gz DNZWDTJYJRSBHV-CYBMUJFWSA-N 1 0 280.372 -0.086 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001272415517 827795955 /nfs/dbraw/zinc/79/59/55/827795955.db2.gz YMGKJGUXYJFXSL-JTQLQIEISA-N 1 0 262.313 -0.857 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001272434315 827796358 /nfs/dbraw/zinc/79/63/58/827796358.db2.gz DNZWDTJYJRSBHV-ZDUSSCGKSA-N 1 0 280.372 -0.086 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC001272426007 827796402 /nfs/dbraw/zinc/79/64/02/827796402.db2.gz QHZJXSSVJKWINV-CHWSQXEVSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(NC(C)=O)cn1 ZINC001272434163 827796552 /nfs/dbraw/zinc/79/65/52/827796552.db2.gz BDCPYJNVBGVALV-LBPRGKRZSA-N 1 0 290.323 -0.647 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001272435764 827797600 /nfs/dbraw/zinc/79/76/00/827797600.db2.gz XCTVOQMPGMRZGE-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001272435434 827797957 /nfs/dbraw/zinc/79/79/57/827797957.db2.gz SPLITKUFPNUVRD-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001272443086 827799149 /nfs/dbraw/zinc/79/91/49/827799149.db2.gz KSDFDTHRUOGJCM-IUODEOHRSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1cnccc1C ZINC001272445344 827800384 /nfs/dbraw/zinc/80/03/84/827800384.db2.gz YQLGCRMWMUPRMF-ZDUSSCGKSA-N 1 0 261.325 -0.368 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001272451021 827800689 /nfs/dbraw/zinc/80/06/89/827800689.db2.gz DKVZCHKXFDSSKT-RYUDHWBXSA-N 1 0 278.356 -0.302 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001272451485 827800858 /nfs/dbraw/zinc/80/08/58/827800858.db2.gz FZAGFCQEWRNBDU-JTQLQIEISA-N 1 0 280.328 -0.335 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001272451017 827801561 /nfs/dbraw/zinc/80/15/61/827801561.db2.gz DKVZCHKXFDSSKT-NEPJUHHUSA-N 1 0 278.356 -0.302 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncn1C ZINC001272461350 827802118 /nfs/dbraw/zinc/80/21/18/827802118.db2.gz NFJLQZDFYUYZFM-SNVBAGLBSA-N 1 0 250.302 -0.876 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cccc2ncnn21 ZINC001272463021 827802503 /nfs/dbraw/zinc/80/25/03/827802503.db2.gz ZOZYSZBJZPLBRS-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(C)c1CC ZINC001272460797 827802689 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C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001272497502 827807100 /nfs/dbraw/zinc/80/71/00/827807100.db2.gz XXVUWJKGRGIAPB-VIFPVBQESA-N 1 0 268.317 -0.618 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001272495472 827808279 /nfs/dbraw/zinc/80/82/79/827808279.db2.gz FNCUVRFVZXCIHV-NWDGAFQWSA-N 1 0 283.372 -0.619 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001272497391 827808602 /nfs/dbraw/zinc/80/86/02/827808602.db2.gz XSDQFMFQHHJYKV-NXEZZACHSA-N 1 0 271.361 -0.471 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001272504204 827810035 /nfs/dbraw/zinc/81/00/35/827810035.db2.gz MEBJUMGOOLSCHK-NWDGAFQWSA-N 1 0 290.367 -0.460 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001272504202 827810421 /nfs/dbraw/zinc/81/04/21/827810421.db2.gz MEBJUMGOOLSCHK-NEPJUHHUSA-N 1 0 290.367 -0.460 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001272519994 827810956 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C[NH+](C)CCN1CCC2(CN(S(=O)(=O)CC#N)C2)C1 ZINC001278256214 828261461 /nfs/dbraw/zinc/26/14/61/828261461.db2.gz MGOVYBMPXDDYNB-UHFFFAOYSA-N 1 0 286.401 -0.591 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)S(C)(=O)=O)[C@@H]1C ZINC001278263257 828261670 /nfs/dbraw/zinc/26/16/70/828261670.db2.gz HLWNITWTADPFQL-MNOVXSKESA-N 1 0 287.385 -0.910 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001278264682 828262040 /nfs/dbraw/zinc/26/20/40/828262040.db2.gz SISWVIGFQQMCFF-NWDGAFQWSA-N 1 0 298.387 -0.303 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001278265615 828262497 /nfs/dbraw/zinc/26/24/97/828262497.db2.gz YJFXFZNQCVIYLV-ZJUUUORDSA-N 1 0 252.318 -0.872 20 30 CBEDRO CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001278372899 828267271 /nfs/dbraw/zinc/26/72/71/828267271.db2.gz WNUQNQAZSSVUBJ-VXGBXAGGSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cn(C)nn2)C1 ZINC001278491874 828271086 /nfs/dbraw/zinc/27/10/86/828271086.db2.gz 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C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001278780238 828287952 /nfs/dbraw/zinc/28/79/52/828287952.db2.gz ZMZOYZDABUCEIW-LBPRGKRZSA-N 1 0 266.345 -0.214 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001278779919 828288248 /nfs/dbraw/zinc/28/82/48/828288248.db2.gz RWWPTSRBADRVAW-JTQLQIEISA-N 1 0 296.323 -0.143 20 30 CBEDRO C#CC[N@H+]1CC[C@](O)(CNC(=O)C2(F)CCOCC2)C1 ZINC001278781590 828288492 /nfs/dbraw/zinc/28/84/92/828288492.db2.gz LGCDTOICKGZMNR-ZDUSSCGKSA-N 1 0 284.331 -0.309 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001278790714 828288765 /nfs/dbraw/zinc/28/87/65/828288765.db2.gz IJCGDHDSVYIWRD-STQMWFEESA-N 1 0 297.399 -0.018 20 30 CBEDRO C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001278787771 828289654 /nfs/dbraw/zinc/28/96/54/828289654.db2.gz VLLLIVCJPNBUOD-IUODEOHRSA-N 1 0 295.383 -0.216 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)C[C@H](O)C[NH2+]CCO)cc1 ZINC001278792189 828289748 /nfs/dbraw/zinc/28/97/48/828289748.db2.gz RPOFLFIFABOWRL-CQSZACIVSA-N 1 0 276.336 -0.317 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001278796493 828290263 /nfs/dbraw/zinc/29/02/63/828290263.db2.gz DRWUKODOUSFPEL-NEPJUHHUSA-N 1 0 283.372 -0.550 20 30 CBEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)c2c(C)cnn2C)C1 ZINC001278800402 828290424 /nfs/dbraw/zinc/29/04/24/828290424.db2.gz NBLJJRMLCCBOTD-HNNXBMFYSA-N 1 0 290.367 -0.082 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001278797723 828290752 /nfs/dbraw/zinc/29/07/52/828290752.db2.gz LLMBZCGZDBVLQW-GFCCVEGCSA-N 1 0 278.356 -0.226 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001278796494 828290969 /nfs/dbraw/zinc/29/09/69/828290969.db2.gz DRWUKODOUSFPEL-NWDGAFQWSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccoc1CC(N)=O ZINC001278797239 828291014 /nfs/dbraw/zinc/29/10/14/828291014.db2.gz ILIVGOAEABUZOL-JTQLQIEISA-N 1 0 295.339 -0.484 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1ccnc1 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C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C(C)=O ZINC001278837896 828295799 /nfs/dbraw/zinc/29/57/99/828295799.db2.gz DJIHXOAXXWBXTI-CHWSQXEVSA-N 1 0 283.372 -0.408 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001278844729 828296696 /nfs/dbraw/zinc/29/66/96/828296696.db2.gz KZMPUNNJWTVCFG-GHMZBOCLSA-N 1 0 297.355 -0.976 20 30 CBEDRO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C#CC1CC1 ZINC001278855940 828299745 /nfs/dbraw/zinc/29/97/45/828299745.db2.gz YPAYACXZTQRQEM-OLZOCXBDSA-N 1 0 295.383 -0.585 20 30 CBEDRO C=CCN1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278868384 828301037 /nfs/dbraw/zinc/30/10/37/828301037.db2.gz XHOUVWJBNZESLZ-CYBMUJFWSA-N 1 0 279.384 -0.323 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(=O)NCC1CC1 ZINC001278878602 828303294 /nfs/dbraw/zinc/30/32/94/828303294.db2.gz QTRJKGNTNZIXIH-LBPRGKRZSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001278873840 828303356 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C=C(C)CN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278932093 828311654 /nfs/dbraw/zinc/31/16/54/828311654.db2.gz MMZXLMABDHTXAP-LBPRGKRZSA-N 1 0 267.373 -0.323 20 30 CBEDRO CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001278999855 828312658 /nfs/dbraw/zinc/31/26/58/828312658.db2.gz KYSDGVBZBIMPSV-VXGBXAGGSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001279001245 828312682 /nfs/dbraw/zinc/31/26/82/828312682.db2.gz VQSNYWDGOOCWQI-MNOVXSKESA-N 1 0 284.381 -0.509 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC001279001244 828313102 /nfs/dbraw/zinc/31/31/02/828313102.db2.gz VQSNYWDGOOCWQI-GHMZBOCLSA-N 1 0 284.381 -0.509 20 30 CBEDRO C=CC[N@@H+](CCNC(=O)c1cnon1)CCOC ZINC001279056272 828316009 /nfs/dbraw/zinc/31/60/09/828316009.db2.gz WSMHZLIUUSGXCH-UHFFFAOYSA-N 1 0 254.290 -0.066 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(C)=O)C1 ZINC001279180086 828317470 /nfs/dbraw/zinc/31/74/70/828317470.db2.gz BXEPMQSVFATHCA-UHFFFAOYSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001279198376 828317747 /nfs/dbraw/zinc/31/77/47/828317747.db2.gz AGOPTBPUGYWJKW-PNESKVBLSA-N 1 0 293.367 -0.649 20 30 CBEDRO C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)OCC)C1 ZINC001279189356 828318052 /nfs/dbraw/zinc/31/80/52/828318052.db2.gz DSHWZLGFSULWCW-PNESKVBLSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001279228435 828319189 /nfs/dbraw/zinc/31/91/89/828319189.db2.gz BKDJQXYGAWUGGE-VOMCLLRMSA-N 1 0 281.356 -0.650 20 30 CBEDRO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001279362136 828320350 /nfs/dbraw/zinc/32/03/50/828320350.db2.gz CYCNRLRZHXLCRZ-GASCZTMLSA-N 1 0 292.379 -0.201 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001279393392 828320759 /nfs/dbraw/zinc/32/07/59/828320759.db2.gz SHCTXYIAPVNDGA-STQMWFEESA-N 1 0 296.367 -0.117 20 30 CBEDRO CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001279393043 828320947 /nfs/dbraw/zinc/32/09/47/828320947.db2.gz OGCHTFSWVWDTEV-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO CCC(=O)NCC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001279424616 828322371 /nfs/dbraw/zinc/32/23/71/828322371.db2.gz NQMCSRWELZJXFD-UHFFFAOYSA-N 1 0 295.387 -0.794 20 30 CBEDRO C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCO2)CC1 ZINC001279423725 828322504 /nfs/dbraw/zinc/32/25/04/828322504.db2.gz AYIJLHNIZQEWBS-AWEZNQCLSA-N 1 0 279.384 -0.031 20 30 CBEDRO C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001279432104 828322645 /nfs/dbraw/zinc/32/26/45/828322645.db2.gz ZKZTVANRFZMTNI-CHWSQXEVSA-N 1 0 294.355 -0.545 20 30 CBEDRO C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001279408948 828322683 /nfs/dbraw/zinc/32/26/83/828322683.db2.gz OGBJOZSAPARRRW-NSHDSACASA-N 1 0 283.328 -0.817 20 30 CBEDRO C=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCNC1=O ZINC001279415783 828323082 /nfs/dbraw/zinc/32/30/82/828323082.db2.gz LMYNCFPEFGXNOK-LBPRGKRZSA-N 1 0 283.372 -0.237 20 30 CBEDRO C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cnnn2C)C1 ZINC001279479316 828325012 /nfs/dbraw/zinc/32/50/12/828325012.db2.gz GYNMTQJYFURSIT-CQSZACIVSA-N 1 0 293.371 -0.052 20 30 CBEDRO C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001279481952 828326627 /nfs/dbraw/zinc/32/66/27/828326627.db2.gz ZBWYDOLWKFTZBT-IUODEOHRSA-N 1 0 280.368 -0.276 20 30 CBEDRO CC[C@@H](C(=O)N[C@@]1(CO)CCCN(CC#N)C1)[NH+](C)C ZINC001279509779 828327623 /nfs/dbraw/zinc/32/76/23/828327623.db2.gz NGTNWDIFMAKWEY-JSGCOSHPSA-N 1 0 282.388 -0.207 20 30 CBEDRO C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001279509897 828327699 /nfs/dbraw/zinc/32/76/99/828327699.db2.gz PTHQOMRZNKNNLK-SMDDNHRTSA-N 1 0 296.371 -0.813 20 30 CBEDRO N#CCN1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001279520710 828327817 /nfs/dbraw/zinc/32/78/17/828327817.db2.gz ZNYADOGCQIZGCV-OAHLLOKOSA-N 1 0 292.383 -0.451 20 30 CBEDRO C#CC[N@H+]1CC=C(CNC(=O)CCS(=O)(=O)NC)CC1 ZINC001279555129 828328875 /nfs/dbraw/zinc/32/88/75/828328875.db2.gz UTAVALTZIVSTCO-UHFFFAOYSA-N 1 0 299.396 -0.693 20 30 CBEDRO C#CC[N@H+]1CC=C(CNC(=O)CNS(=O)(=O)CC)CC1 ZINC001279574006 828330243 /nfs/dbraw/zinc/33/02/43/828330243.db2.gz LFYLFCRZIFZNMA-UHFFFAOYSA-N 1 0 299.396 -0.693 20 30 CBEDRO CC#CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001279531170 828330635 /nfs/dbraw/zinc/33/06/35/828330635.db2.gz ZHESSTWNELRBLP-GOEBONIOSA-N 1 0 293.411 -0.096 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001347581907 890484172 /nfs/dbraw/zinc/48/41/72/890484172.db2.gz NWMZZTYIUFPDJG-MCIONIFRSA-N 1 0 280.368 -0.467 20 30 CBEDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC001348608873 890662890 /nfs/dbraw/zinc/66/28/90/890662890.db2.gz QPNIJOSVXZOTII-ZDUSSCGKSA-N 1 0 266.345 -0.008 20 30 CBEDRO Cc1n[nH]c(=O)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC001349169071 890771780 /nfs/dbraw/zinc/77/17/80/890771780.db2.gz KTPJAMPAZMHFSV-IUCAKERBSA-N 1 0 261.285 -0.360 20 30 CBEDRO CN1CC[NH+]=C1NCCCCn1cc(C(N)=O)nn1 ZINC001349911330 890912878 /nfs/dbraw/zinc/91/28/78/890912878.db2.gz NMVUIMVHTXUXIQ-UHFFFAOYSA-N 1 0 265.321 -0.952 20 30 CBEDRO CN(C(=O)C(=O)N1CCC[C@H](C#N)C1)C1CC[NH2+]CC1 ZINC001350636091 891020995 /nfs/dbraw/zinc/02/09/95/891020995.db2.gz WIGMNCXYMCNLHE-LLVKDONJSA-N 1 0 278.356 -0.041 20 30 CBEDRO COCC#CC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC001350982054 891081969 /nfs/dbraw/zinc/08/19/69/891081969.db2.gz DDLYDFHBHRCMBI-NWDGAFQWSA-N 1 0 254.330 -0.450 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001374847749 897409981 /nfs/dbraw/zinc/40/99/81/897409981.db2.gz RQEZTWGBWICHBK-RKDXNWHRSA-N 1 0 295.792 -0.475 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001175864391 884696245 /nfs/dbraw/zinc/69/62/45/884696245.db2.gz MQCBXLIINUZLAR-GFCCVEGCSA-N 1 0 278.360 -0.039 20 30 CBEDRO C=CCCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001211355912 884772320 /nfs/dbraw/zinc/77/23/20/884772320.db2.gz YJWNIYHZQKFZOO-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO CO[C@@H]1CN(CC#N)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213397503 884777526 /nfs/dbraw/zinc/77/75/26/884777526.db2.gz PIWFHJQDRFAUIA-JHJVBQTASA-N 1 0 282.388 -0.088 20 30 CBEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252622998 884801064 /nfs/dbraw/zinc/80/10/64/884801064.db2.gz BOWNIEBWVAGCIX-SRVKXCTJSA-N 1 0 285.388 -0.082 20 30 CBEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001252603503 884801754 /nfs/dbraw/zinc/80/17/54/884801754.db2.gz YBPRWYHWTWCOFA-VXGBXAGGSA-N 1 0 254.330 -0.144 20 30 CBEDRO CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(C)CCOC2)C1 ZINC001278816997 884820841 /nfs/dbraw/zinc/82/08/41/884820841.db2.gz ZUTRNACLXFOCLB-CABCVRRESA-N 1 0 280.368 -0.011 20 30 CBEDRO CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320218836 884830165 /nfs/dbraw/zinc/83/01/65/884830165.db2.gz VTMFDHFUKLOYCS-GFCCVEGCSA-N 1 0 295.383 -0.665 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@H](C)S(C)(=O)=O ZINC001326044597 884883108 /nfs/dbraw/zinc/88/31/08/884883108.db2.gz GNVPVLLHDNGDIE-JTQLQIEISA-N 1 0 278.374 -0.984 20 30 CBEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001326184014 884936297 /nfs/dbraw/zinc/93/62/97/884936297.db2.gz WSZNMOIBRHDWQV-ZETCQYMHSA-N 1 0 292.177 -0.017 20 30 CBEDRO CC(C)([NH3+])CC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001326324738 884987520 /nfs/dbraw/zinc/98/75/20/884987520.db2.gz BQXSCAXFQKBMIC-QXMHVHEDSA-N 1 0 280.328 -0.244 20 30 CBEDRO CN(C)C(=[NH+]C[C@@H](O)CN1CCCC1=O)N(C)C ZINC001326907776 885192530 /nfs/dbraw/zinc/19/25/30/885192530.db2.gz XOFQPXNSMCBQSE-SNVBAGLBSA-N 1 0 256.350 -0.551 20 30 CBEDRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNCC#N)C1 ZINC001327081286 885249423 /nfs/dbraw/zinc/24/94/23/885249423.db2.gz ODIKZFLGHKTHCP-GFCCVEGCSA-N 1 0 268.361 -0.333 20 30 CBEDRO C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)OCC#C)C1 ZINC001327566166 885407436 /nfs/dbraw/zinc/40/74/36/885407436.db2.gz ZWNOOHDEBBRXNW-DZGCQCFKSA-N 1 0 278.352 -0.399 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001327855831 885501257 /nfs/dbraw/zinc/50/12/57/885501257.db2.gz FUBIJQWKASVKRP-ONGXEEELSA-N 1 0 265.317 -0.556 20 30 CBEDRO C=CCN(C[C@H]1CNC(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001328395025 885669602 /nfs/dbraw/zinc/66/96/02/885669602.db2.gz UJBUUCDXHXZIHO-MNOVXSKESA-N 1 0 272.370 -0.202 20 30 CBEDRO C=C(CC)CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001328734270 885796721 /nfs/dbraw/zinc/79/67/21/885796721.db2.gz YOZQDEQTAPLHBH-GHMZBOCLSA-N 1 0 269.345 -0.357 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC001328846804 885828786 /nfs/dbraw/zinc/82/87/86/885828786.db2.gz USYXMRBPVQGCJW-SRVKXCTJSA-N 1 0 255.362 -0.027 20 30 CBEDRO N#CCCC[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001329040556 885895249 /nfs/dbraw/zinc/89/52/49/885895249.db2.gz ZXOJMTUSRDROQV-JTQLQIEISA-N 1 0 280.288 -0.071 20 30 CBEDRO CN(C)C(=[NH+]CCCCS(N)(=O)=O)N(C)C ZINC001329225204 885973720 /nfs/dbraw/zinc/97/37/20/885973720.db2.gz GGQUMGCSYJRTQO-UHFFFAOYSA-N 1 0 250.368 -0.466 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001329195915 885963941 /nfs/dbraw/zinc/96/39/41/885963941.db2.gz RBBDEPPEAYCQPZ-UWVGGRQHSA-N 1 0 277.390 -0.406 20 30 CBEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001329565911 886124320 /nfs/dbraw/zinc/12/43/20/886124320.db2.gz MDIVPYIYYTWWSX-UWVGGRQHSA-N 1 0 266.345 -0.057 20 30 CBEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COCCOC)[C@@H]2C1 ZINC001330279478 886409137 /nfs/dbraw/zinc/40/91/37/886409137.db2.gz WFWVVZLQPVEAIK-XYYAHUGASA-N 1 0 266.341 -0.423 20 30 CBEDRO C=CCOCC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001330274252 886409229 /nfs/dbraw/zinc/40/92/29/886409229.db2.gz FZMWCRKNDIZVQO-ZDEQEGDKSA-N 1 0 268.357 -0.136 20 30 CBEDRO C#CCCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001330379334 886433205 /nfs/dbraw/zinc/43/32/05/886433205.db2.gz CDXHNWIQBOBTKX-OLZOCXBDSA-N 1 0 268.357 -0.012 20 30 CBEDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001330417720 886445242 /nfs/dbraw/zinc/44/52/42/886445242.db2.gz JIYHQPBZLXCRLA-CYBMUJFWSA-N 1 0 282.319 -0.529 20 30 CBEDRO COC(=O)CN(CC#N)CC(=O)NC1CC[NH+](C)CC1 ZINC001330659306 886520385 /nfs/dbraw/zinc/52/03/85/886520385.db2.gz YMLNZJAQCYYKLV-UHFFFAOYSA-N 1 0 282.344 -0.805 20 30 CBEDRO CC#CC[NH2+]CCC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001330978094 886637970 /nfs/dbraw/zinc/63/79/70/886637970.db2.gz VIKADZFUCIXKNH-NSHDSACASA-N 1 0 294.355 -0.564 20 30 CBEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1(CC#N)CC1 ZINC001331089876 886671818 /nfs/dbraw/zinc/67/18/18/886671818.db2.gz NJIDDNZAIQVYFO-ZJUUUORDSA-N 1 0 264.329 -0.255 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001331170218 886711736 /nfs/dbraw/zinc/71/17/36/886711736.db2.gz ZJOLKLZHOUECCR-LLVKDONJSA-N 1 0 267.329 -0.908 20 30 CBEDRO C[C@@H](C#N)C(=O)NCCOCCC[NH2+][C@H]1CCCNC1=O ZINC001331237316 886745161 /nfs/dbraw/zinc/74/51/61/886745161.db2.gz NUOUHCSORZJRCD-RYUDHWBXSA-N 1 0 296.371 -0.463 20 30 CBEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CNC(=O)NC ZINC001331462872 886815931 /nfs/dbraw/zinc/81/59/31/886815931.db2.gz YZCONMSAFDBIRP-SNVBAGLBSA-N 1 0 256.350 -0.072 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CC1CS(=O)(=O)C1 ZINC001331492674 886820847 /nfs/dbraw/zinc/82/08/47/886820847.db2.gz XOHLNXYMQXUGGT-SNVBAGLBSA-N 1 0 272.370 -0.509 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)C1CCS(=O)(=O)CC1 ZINC001331576810 886852167 /nfs/dbraw/zinc/85/21/67/886852167.db2.gz VLSQZQHXCYTOSV-NSHDSACASA-N 1 0 286.397 -0.119 20 30 CBEDRO C=CCn1cc(C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)O)nn1 ZINC001331585573 886854570 /nfs/dbraw/zinc/85/45/70/886854570.db2.gz OXNVWGZSSXAIPC-WDEREUQCSA-N 1 0 281.360 -0.105 20 30 CBEDRO CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001331644561 886880232 /nfs/dbraw/zinc/88/02/32/886880232.db2.gz ONKGVWDVUHZLDP-MNOVXSKESA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(CC)n[nH]1 ZINC001331684417 886905751 /nfs/dbraw/zinc/90/57/51/886905751.db2.gz OMEWLKRNYQJBHK-SNVBAGLBSA-N 1 0 250.302 -0.714 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001331686752 886907186 /nfs/dbraw/zinc/90/71/86/886907186.db2.gz XMZATZIEUASWQP-NWDGAFQWSA-N 1 0 272.345 -0.565 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1cncn1C ZINC001331684823 886904722 /nfs/dbraw/zinc/90/47/22/886904722.db2.gz QMJWKJDFTZKJIR-VHSXEESVSA-N 1 0 265.317 -0.854 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COC(=O)N1 ZINC001331704661 886922016 /nfs/dbraw/zinc/92/20/16/886922016.db2.gz HKFSKMIMNSCQDP-NXEZZACHSA-N 1 0 271.317 -0.872 20 30 CBEDRO CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001331850277 887013976 /nfs/dbraw/zinc/01/39/76/887013976.db2.gz MONFRPNGVDOSHJ-QWHCGFSZSA-N 1 0 266.389 -0.123 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001332474258 887304875 /nfs/dbraw/zinc/30/48/75/887304875.db2.gz BYMDCJFKROCAQM-STQMWFEESA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CCc1nnc[nH]1 ZINC001332490341 887315434 /nfs/dbraw/zinc/31/54/34/887315434.db2.gz WCZCFYPFXDMLLF-NSHDSACASA-N 1 0 279.344 -0.831 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001332489717 887317476 /nfs/dbraw/zinc/31/74/76/887317476.db2.gz KKTNCGJOYKDNKS-RYUDHWBXSA-N 1 0 254.330 -0.545 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@](C)(O)C=C ZINC001332504585 887325762 /nfs/dbraw/zinc/32/57/62/887325762.db2.gz OOFMITAXRAXCDP-TZMCWYRMSA-N 1 0 268.357 -0.254 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC1(C)C ZINC001332506814 887330332 /nfs/dbraw/zinc/33/03/32/887330332.db2.gz YCSPKKHJYFJOHZ-VXGBXAGGSA-N 1 0 297.399 -0.256 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnc(C)nc1C ZINC001332586752 887367919 /nfs/dbraw/zinc/36/79/19/887367919.db2.gz JGSXMEFAGKKVPK-LBPRGKRZSA-N 1 0 276.340 -0.251 20 30 CBEDRO C#CCC[NH+]1CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001332686391 887402200 /nfs/dbraw/zinc/40/22/00/887402200.db2.gz YEEOCGDGADFQSF-LSDHHAIUSA-N 1 0 282.384 -0.470 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC001333172150 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C[C@H](C#N)C(=O)N(C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001331403577 886793518 /nfs/dbraw/zinc/79/35/18/886793518.db2.gz DJEPTVPZDXCPJM-GHMZBOCLSA-N 1 0 264.333 -0.126 20 30 CBEDRO C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]CCOCCO ZINC001331409725 886796536 /nfs/dbraw/zinc/79/65/36/886796536.db2.gz LINVNVUYIPPRGE-NSHDSACASA-N 1 0 294.355 -0.055 20 30 CBEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001331405996 886797646 /nfs/dbraw/zinc/79/76/46/886797646.db2.gz MQICXVUNFGZOEK-VIFPVBQESA-N 1 0 270.333 -0.416 20 30 CBEDRO C#CCCCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001331604478 886861480 /nfs/dbraw/zinc/86/14/80/886861480.db2.gz RPLCZQZGJQBLPV-GHMZBOCLSA-N 1 0 251.330 -0.146 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001331460529 886815103 /nfs/dbraw/zinc/81/51/03/886815103.db2.gz RLGQZYXVBSCPKU-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC001331486263 886821238 /nfs/dbraw/zinc/82/12/38/886821238.db2.gz BYESRMCIHUYPSQ-UHFFFAOYSA-N 1 0 283.397 -0.273 20 30 CBEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001331563137 886846407 /nfs/dbraw/zinc/84/64/07/886846407.db2.gz COIBRMDILCIGQZ-ZJUUUORDSA-N 1 0 277.390 -0.453 20 30 CBEDRO C#CCSCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331578231 886852916 /nfs/dbraw/zinc/85/29/16/886852916.db2.gz DAEFMPYCNQIWLV-NSHDSACASA-N 1 0 255.387 -0.285 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001331617500 886868115 /nfs/dbraw/zinc/86/81/15/886868115.db2.gz VHKMHSUWUFESCR-VXGBXAGGSA-N 1 0 280.372 -0.011 20 30 CBEDRO C#CCOCCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001331631957 886872121 /nfs/dbraw/zinc/87/21/21/886872121.db2.gz VAOUVQGFJUKLIT-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccon1 ZINC001331683600 886903493 /nfs/dbraw/zinc/90/34/93/886903493.db2.gz LOTZJSSZRFRDHH-LLVKDONJSA-N 1 0 251.286 -0.693 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1cnc(C)[nH]1 ZINC001331685216 886904420 /nfs/dbraw/zinc/90/44/20/886904420.db2.gz RHQQTXZOBIPMEI-JTQLQIEISA-N 1 0 252.318 -0.025 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1ccon1 ZINC001331683602 886906197 /nfs/dbraw/zinc/90/61/97/886906197.db2.gz LOTZJSSZRFRDHH-NSHDSACASA-N 1 0 251.286 -0.693 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001331703649 886916315 /nfs/dbraw/zinc/91/63/15/886916315.db2.gz CPRMXYGELXBJLK-JTQLQIEISA-N 1 0 267.333 -0.538 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC001331705683 886920035 /nfs/dbraw/zinc/92/00/35/886920035.db2.gz HSIHODWNNASQRI-UHFFFAOYSA-N 1 0 295.383 -0.134 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1COC(=O)N1 ZINC001331704664 886921088 /nfs/dbraw/zinc/92/10/88/886921088.db2.gz HKFSKMIMNSCQDP-UWVGGRQHSA-N 1 0 271.317 -0.872 20 30 CBEDRO C#CCOCCC(=O)NC[C@H](CO)[NH2+]CC#CC ZINC001331710817 886927667 /nfs/dbraw/zinc/92/76/67/886927667.db2.gz CFOREKRVHZFZGS-GFCCVEGCSA-N 1 0 252.314 -0.884 20 30 CBEDRO C#CCOCCC(=O)NC[C@@H](CO)[NH2+]CC#CC ZINC001331710819 886927853 /nfs/dbraw/zinc/92/78/53/886927853.db2.gz CFOREKRVHZFZGS-LBPRGKRZSA-N 1 0 252.314 -0.884 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)Cc1ccn(CC)n1 ZINC001331711149 886928208 /nfs/dbraw/zinc/92/82/08/886928208.db2.gz FPTDPDFPTIPBNA-GFCCVEGCSA-N 1 0 264.329 -0.855 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nn(C)cc1C ZINC001331711182 886928338 /nfs/dbraw/zinc/92/83/38/886928338.db2.gz FWMILLQQNSZWJZ-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001331710790 886928379 /nfs/dbraw/zinc/92/83/79/886928379.db2.gz CDLNHRSQPQHQQG-PWSUYJOCSA-N 1 0 254.330 -0.499 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001331724304 886936901 /nfs/dbraw/zinc/93/69/01/886936901.db2.gz FBRCNIBNNAHSLR-NSHDSACASA-N 1 0 276.340 -0.467 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001331725549 886938761 /nfs/dbraw/zinc/93/87/61/886938761.db2.gz PALLNMHRYJMZDO-MNOVXSKESA-N 1 0 290.385 -0.794 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001331727523 886939901 /nfs/dbraw/zinc/93/99/01/886939901.db2.gz YTRDZWSKFXIMFM-ZDUSSCGKSA-N 1 0 280.372 -0.086 20 30 CBEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NCC#N ZINC001331725115 886940050 /nfs/dbraw/zinc/94/00/50/886940050.db2.gz MMTQSGANFUQKHL-RYUDHWBXSA-N 1 0 268.361 -0.549 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1nccs1 ZINC001331804910 886991504 /nfs/dbraw/zinc/99/15/04/886991504.db2.gz KYQJPYLOWOIQIX-SECBINFHSA-N 1 0 253.327 -0.153 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2ccccc2c1O ZINC001331738842 886948996 /nfs/dbraw/zinc/94/89/96/886948996.db2.gz DPMZVWCCAHDRGG-LLVKDONJSA-N 1 0 299.330 -0.158 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001331741522 886950147 /nfs/dbraw/zinc/95/01/47/886950147.db2.gz VIBHLJFNLLUVBS-STQMWFEESA-N 1 0 297.399 -0.112 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1csc(=O)[nH]1 ZINC001331771128 886966816 /nfs/dbraw/zinc/96/68/16/886966816.db2.gz JGEGOBPRUJVJLF-MRVPVSSYSA-N 1 0 269.326 -0.448 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001331773375 886970216 /nfs/dbraw/zinc/97/02/16/886970216.db2.gz UWPVTTYYZRXUSP-MNOVXSKESA-N 1 0 293.323 -0.160 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001331773424 886971136 /nfs/dbraw/zinc/97/11/36/886971136.db2.gz FLHSFKRBEXKSJR-GHMZBOCLSA-N 1 0 293.371 -0.133 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001331773723 886971986 /nfs/dbraw/zinc/97/19/86/886971986.db2.gz WJRIWGYWBJVQJI-LOWDOPEQSA-N 1 0 295.383 -0.599 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001331773625 886972153 /nfs/dbraw/zinc/97/21/53/886972153.db2.gz VRWZAMICEGQZNQ-MNOVXSKESA-N 1 0 283.372 -0.504 20 30 CBEDRO C=CC[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC001331781039 886977764 /nfs/dbraw/zinc/97/77/64/886977764.db2.gz SXFTYWALRJIAPY-UPJWGTAASA-N 1 0 295.383 -0.014 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001331789122 886980787 /nfs/dbraw/zinc/98/07/87/886980787.db2.gz GOMFBZFBAZYNGX-SNVBAGLBSA-N 1 0 275.312 -0.404 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC ZINC001331791539 886985348 /nfs/dbraw/zinc/98/53/48/886985348.db2.gz VSINNCMCKOOMLJ-JTQLQIEISA-N 1 0 271.361 -0.599 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001331790640 886986099 /nfs/dbraw/zinc/98/60/99/886986099.db2.gz QRRKPUWOFRXSCX-NSHDSACASA-N 1 0 289.339 -0.014 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(=O)NC ZINC001331791542 886986441 /nfs/dbraw/zinc/98/64/41/886986441.db2.gz VSINNCMCKOOMLJ-SNVBAGLBSA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001331802731 886989305 /nfs/dbraw/zinc/98/93/05/886989305.db2.gz CYIXGCZAYKMAFV-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1nccn2cc(C)nc12 ZINC001331823284 886998068 /nfs/dbraw/zinc/99/80/68/886998068.db2.gz DUYMPRUSIVFPQV-LLVKDONJSA-N 1 0 287.323 -0.649 20 30 CBEDRO 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IABWQLWDBOWXLY-NSHDSACASA-N 1 0 281.356 -0.748 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC001342111278 889710331 /nfs/dbraw/zinc/71/03/31/889710331.db2.gz JMETUAXXWXWAKR-AAEUAGOBSA-N 1 0 267.329 -0.104 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001342100371 889710594 /nfs/dbraw/zinc/71/05/94/889710594.db2.gz QHZXMMVURCBQSO-CYBMUJFWSA-N 1 0 294.399 -0.475 20 30 CBEDRO C=CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC001342100374 889711964 /nfs/dbraw/zinc/71/19/64/889711964.db2.gz QHZXMMVURCBQSO-ZDUSSCGKSA-N 1 0 294.399 -0.475 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC001342112030 889715296 /nfs/dbraw/zinc/71/52/96/889715296.db2.gz ORUIVGXTMRCNPD-UMNHJUIQSA-N 1 0 253.302 -0.509 20 30 CBEDRO C[C@]1(C#N)CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001342112782 889715625 /nfs/dbraw/zinc/71/56/25/889715625.db2.gz UJBWTNRKMWOGGS-DRZSPHRISA-N 1 0 265.313 -0.637 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC001342199473 889728908 /nfs/dbraw/zinc/72/89/08/889728908.db2.gz LTMOKESQAVGCFQ-KGLIPLIRSA-N 1 0 299.415 -0.179 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC001342199471 889730435 /nfs/dbraw/zinc/73/04/35/889730435.db2.gz LTMOKESQAVGCFQ-KBPBESRZSA-N 1 0 299.415 -0.179 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](O)[C@H](F)C1 ZINC001342235761 889736277 /nfs/dbraw/zinc/73/62/77/889736277.db2.gz BHNFVLXQZOUYBJ-VXGBXAGGSA-N 1 0 254.305 -0.079 20 30 CBEDRO C=C(C)C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)C(=O)OC ZINC001342284537 889746530 /nfs/dbraw/zinc/74/65/30/889746530.db2.gz LJDHPSZRPZQABT-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC001342289676 889747593 /nfs/dbraw/zinc/74/75/93/889747593.db2.gz HSRUTXVPHQUPPV-RYUDHWBXSA-N 1 0 298.387 -0.174 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCNC(=O)CC12CCOCC2 ZINC001342301312 889751270 /nfs/dbraw/zinc/75/12/70/889751270.db2.gz MTPDEDRAWQMZMD-UHFFFAOYSA-N 1 0 279.340 -0.893 20 30 CBEDRO C#CCNCC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001342359560 889762417 /nfs/dbraw/zinc/76/24/17/889762417.db2.gz UPMXFHIFGKYOFS-UHFFFAOYSA-N 1 0 274.328 -0.953 20 30 CBEDRO COCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001448780428 913380938 /nfs/dbraw/zinc/38/09/38/913380938.db2.gz MCOMUNQMMNUUCN-CYBMUJFWSA-N 1 0 277.324 -0.229 20 30 CBEDRO C=CCCC[C@H](NC(=O)CN1CC[NH2+]CC1)C(=O)OC ZINC001342596640 889798996 /nfs/dbraw/zinc/79/89/96/889798996.db2.gz CNEFLAMPIWYFRP-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC001342925877 889844053 /nfs/dbraw/zinc/84/40/53/889844053.db2.gz BUBGFBRWEQTLME-JTQLQIEISA-N 1 0 290.323 -0.156 20 30 CBEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1nnnn1C ZINC001343343631 889890504 /nfs/dbraw/zinc/89/05/04/889890504.db2.gz HUSATKRWEVAZGZ-BQBZGAKWSA-N 1 0 258.713 -0.143 20 30 CBEDRO C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCNC(=O)C1 ZINC001343465897 889914957 /nfs/dbraw/zinc/91/49/57/889914957.db2.gz AXRHXKSYRDCAQJ-PTRXPTGYSA-N 1 0 250.302 -0.870 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1CO ZINC001343490166 889922734 /nfs/dbraw/zinc/92/27/34/889922734.db2.gz MLZCSYFLFCLMHN-RYUDHWBXSA-N 1 0 255.362 -0.195 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC001343635120 889941988 /nfs/dbraw/zinc/94/19/88/889941988.db2.gz QKSVJZBSBHHSNE-ZIAGYGMSSA-N 1 0 276.336 -0.190 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001344830986 890069961 /nfs/dbraw/zinc/06/99/61/890069961.db2.gz OEDMOQDGDCDMBX-UHFFFAOYSA-N 1 0 283.397 -0.321 20 30 CBEDRO C#CC[NH+]1CCC(OC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001344943062 890083683 /nfs/dbraw/zinc/08/36/83/890083683.db2.gz VVLPQEYKVWFUGB-LLVKDONJSA-N 1 0 286.353 -0.681 20 30 CBEDRO C#CC[NH+]1CCC(OC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001344943063 890084549 /nfs/dbraw/zinc/08/45/49/890084549.db2.gz VVLPQEYKVWFUGB-NSHDSACASA-N 1 0 286.353 -0.681 20 30 CBEDRO C#C[C@H]1COCCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC001345013428 890090904 /nfs/dbraw/zinc/09/09/04/890090904.db2.gz PUJFLJWYKXPHGZ-ZDUSSCGKSA-N 1 0 293.367 -0.599 20 30 CBEDRO CC1(C)CN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)C[C@@H]1[NH3+] ZINC001345167926 890106558 /nfs/dbraw/zinc/10/65/58/890106558.db2.gz HQMYRMOTKXSKHL-IINYFYTJSA-N 1 0 294.355 -0.677 20 30 CBEDRO C[C@@]1(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CCC[NH2+]C1 ZINC001345198305 890111373 /nfs/dbraw/zinc/11/13/73/890111373.db2.gz RBRALEMFXYVCMV-KGLIPLIRSA-N 1 0 296.346 -0.044 20 30 CBEDRO C[N@H+](CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)C1CC1 ZINC001345360679 890120597 /nfs/dbraw/zinc/12/05/97/890120597.db2.gz XCQUBUNKUSGFQG-CYBMUJFWSA-N 1 0 282.319 -0.339 20 30 CBEDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001345391027 890124076 /nfs/dbraw/zinc/12/40/76/890124076.db2.gz HIBSXGNRLHEUBR-PWSUYJOCSA-N 1 0 254.334 -0.594 20 30 CBEDRO CCN(CCC(=O)NC)C(=O)[C@H]([NH3+])CCCC#N ZINC001345431016 890126733 /nfs/dbraw/zinc/12/67/33/890126733.db2.gz LGYFWNIGUVMROM-SNVBAGLBSA-N 1 0 254.334 -0.008 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)[C@H](C)C[NH2+]1 ZINC001345483897 890136057 /nfs/dbraw/zinc/13/60/57/890136057.db2.gz NAMZQNZXUJIXPK-GIPNMCIBSA-N 1 0 282.319 -0.341 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC001345597183 890146613 /nfs/dbraw/zinc/14/66/13/890146613.db2.gz ZLBRSTWHQOBGEY-NWDGAFQWSA-N 1 0 276.340 -0.169 20 30 CBEDRO N#Cc1csc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC001346037114 890201345 /nfs/dbraw/zinc/20/13/45/890201345.db2.gz LGHNMPGXCASHIZ-CBAPKCEASA-N 1 0 291.336 -0.796 20 30 CBEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CC#N)CC2)C1=O ZINC001346081614 890211778 /nfs/dbraw/zinc/21/17/78/890211778.db2.gz XZCJYFJZBHSKRP-NSHDSACASA-N 1 0 264.329 -0.289 20 30 CBEDRO C#CCCN1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001346251010 890249808 /nfs/dbraw/zinc/24/98/08/890249808.db2.gz IUPGLZFTSSJBPI-HNNXBMFYSA-N 1 0 296.411 -0.034 20 30 CBEDRO CN1CC[C@@](O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC001346276769 890255409 /nfs/dbraw/zinc/25/54/09/890255409.db2.gz RNRBNVSXNSMIQO-DGCLKSJQSA-N 1 0 255.362 -0.057 20 30 CBEDRO C[NH+]=C(NCc1ccco1)NC[C@H](O)CN1CCCC1=O ZINC001346588732 890326796 /nfs/dbraw/zinc/32/67/96/890326796.db2.gz KJPANQZSHZCHDV-NSHDSACASA-N 1 0 294.355 -0.072 20 30 CBEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](O)CN1CCCC1=O ZINC001346588731 890327144 /nfs/dbraw/zinc/32/71/44/890327144.db2.gz KJPANQZSHZCHDV-LLVKDONJSA-N 1 0 294.355 -0.072 20 30 CBEDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)NCC#N ZINC001346630319 890332498 /nfs/dbraw/zinc/33/24/98/890332498.db2.gz VZFNWZHWDNIBCE-QWRGUYRKSA-N 1 0 281.360 -0.202 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001347074453 890400019 /nfs/dbraw/zinc/40/00/19/890400019.db2.gz UTFHIPSGIWRGBP-QWRGUYRKSA-N 1 0 267.329 -0.732 20 30 CBEDRO N#CC1(CC(=O)NC[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC001347097426 890406108 /nfs/dbraw/zinc/40/61/08/890406108.db2.gz JWMWIUKGWWRYRM-NSHDSACASA-N 1 0 267.329 -0.199 20 30 CBEDRO C#CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001347098968 890408982 /nfs/dbraw/zinc/40/89/82/890408982.db2.gz UNYIYTZQZHRBOZ-ZIAGYGMSSA-N 1 0 276.384 -0.848 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001347145525 890416307 /nfs/dbraw/zinc/41/63/07/890416307.db2.gz MDLKNHOWECEMBH-GHMZBOCLSA-N 1 0 290.385 -0.842 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCCn1ccc(=O)[nH]c1=O ZINC001348155737 890566534 /nfs/dbraw/zinc/56/65/34/890566534.db2.gz RZQKPDGVLHIHEF-UHFFFAOYSA-N 1 0 266.301 -0.817 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1(CC#N)CC1 ZINC001348309720 890594021 /nfs/dbraw/zinc/59/40/21/890594021.db2.gz WAYYXQBMGGMQHF-SECBINFHSA-N 1 0 252.318 -0.398 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1(CC#N)CC1 ZINC001348309733 890594437 /nfs/dbraw/zinc/59/44/37/890594437.db2.gz WAYYXQBMGGMQHF-VIFPVBQESA-N 1 0 252.318 -0.398 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCO[C@H]1c1nc(C)no1 ZINC001348424039 890622273 /nfs/dbraw/zinc/62/22/73/890622273.db2.gz YHCGDGOYWCSUDZ-CMPLNLGQSA-N 1 0 278.312 -0.063 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cncnc1C ZINC001348434525 890624606 /nfs/dbraw/zinc/62/46/06/890624606.db2.gz CEJXHDLUPOSNFN-UHFFFAOYSA-N 1 0 289.339 -0.205 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001348446300 890627699 /nfs/dbraw/zinc/62/76/99/890627699.db2.gz DJLWJGUQIUHRDN-JTQLQIEISA-N 1 0 266.345 -0.056 20 30 CBEDRO N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1C[NH2+]C1)CC2 ZINC001348521819 890640920 /nfs/dbraw/zinc/64/09/20/890640920.db2.gz KAFHKPAYLWRMDZ-UHFFFAOYSA-N 1 0 270.292 -0.465 20 30 CBEDRO C#CCSCCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC001348585085 890656931 /nfs/dbraw/zinc/65/69/31/890656931.db2.gz OSSKWJGZOOSUEC-LBPRGKRZSA-N 1 0 297.424 -0.073 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)C1 ZINC001348606656 890661839 /nfs/dbraw/zinc/66/18/39/890661839.db2.gz XONIKEMRCBAVFT-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCOCC(=O)NCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001348636347 890668834 /nfs/dbraw/zinc/66/88/34/890668834.db2.gz AZEQQAWKSFIJPW-HNNXBMFYSA-N 1 0 295.383 -0.093 20 30 CBEDRO 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265.273 -0.459 20 30 CBEDRO C=CCn1cc(C(=O)NCCNC(=O)CC[NH+](C)C)nn1 ZINC001349016725 890746488 /nfs/dbraw/zinc/74/64/88/890746488.db2.gz KKTHCAKXJUUSTO-UHFFFAOYSA-N 1 0 294.359 -0.738 20 30 CBEDRO CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H](C)C#N ZINC001349049152 890752308 /nfs/dbraw/zinc/75/23/08/890752308.db2.gz CSBGRYYYLPQUGD-JTQLQIEISA-N 1 0 254.334 -0.280 20 30 CBEDRO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001349168709 890768018 /nfs/dbraw/zinc/76/80/18/890768018.db2.gz HGRMUTYLMDURCD-AWEZNQCLSA-N 1 0 296.371 -0.679 20 30 CBEDRO C=CCn1cc(CNC(=O)C2(OC)CC[NH2+]CC2)nn1 ZINC001349419989 890813433 /nfs/dbraw/zinc/81/34/33/890813433.db2.gz DMYKGSHVJQHPOI-UHFFFAOYSA-N 1 0 279.344 -0.151 20 30 CBEDRO C=CC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C)C(=O)OCC ZINC001349434175 890816268 /nfs/dbraw/zinc/81/62/68/890816268.db2.gz JWUQDRHGBJHBSJ-RWMBFGLXSA-N 1 0 295.383 -0.001 20 30 CBEDRO [NH3+]C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC001349473952 890819902 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C=C(CO)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001355163512 891656575 /nfs/dbraw/zinc/65/65/75/891656575.db2.gz CDYRKMKDKZCBEO-RYUDHWBXSA-N 1 0 254.330 -0.408 20 30 CBEDRO C[C@H]1C[NH+]=C(NN=Cc2c3c(nn2C)CCOC3)N1 ZINC001356021679 891723747 /nfs/dbraw/zinc/72/37/47/891723747.db2.gz MWOOQICFGNTIBJ-QMMMGPOBSA-N 1 0 262.317 -0.236 20 30 CBEDRO CC1([NH3+])CCN(C(=O)C(=O)N2CCO[C@](C)(C#N)C2)CC1 ZINC001356091348 891726143 /nfs/dbraw/zinc/72/61/43/891726143.db2.gz MVTTWSGPFGKOKU-CQSZACIVSA-N 1 0 294.355 -0.533 20 30 CBEDRO C[C@@]1(C#N)CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCO1 ZINC001356089456 891726427 /nfs/dbraw/zinc/72/64/27/891726427.db2.gz CEZZKKHTUKGENW-BXUZGUMPSA-N 1 0 294.355 -0.675 20 30 CBEDRO CCN(C(=O)C(=O)N1CCO[C@](C)(C#N)C1)[C@H]1CC[NH2+]C1 ZINC001356097984 891729606 /nfs/dbraw/zinc/72/96/06/891729606.db2.gz JGYNGLDHWTXOFA-SMDDNHRTSA-N 1 0 294.355 -0.662 20 30 CBEDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001356479057 891767732 /nfs/dbraw/zinc/76/77/32/891767732.db2.gz 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ZINC001482281284 917113148 /nfs/dbraw/zinc/11/31/48/917113148.db2.gz OVPIDSSMOLOYHE-LLVKDONJSA-N 1 0 293.371 -0.296 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001482284766 917115294 /nfs/dbraw/zinc/11/52/94/917115294.db2.gz AJWGABZEXVREIN-JTQLQIEISA-N 1 0 272.370 -0.509 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)CC ZINC001482289218 917117710 /nfs/dbraw/zinc/11/77/10/917117710.db2.gz RDKSTFOPMJHGEB-WDEREUQCSA-N 1 0 291.417 -0.063 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)c1coc(S(N)(=O)=O)c1 ZINC001482301856 917119210 /nfs/dbraw/zinc/11/92/10/917119210.db2.gz VYHSRTNEIKSMQH-VIFPVBQESA-N 1 0 299.352 -0.390 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CCC)S(N)(=O)=O ZINC001482312923 917120287 /nfs/dbraw/zinc/12/02/87/917120287.db2.gz GSNHDBMUNMEQDO-WDEREUQCSA-N 1 0 289.401 -0.487 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001482326781 917126052 /nfs/dbraw/zinc/12/60/52/917126052.db2.gz NSAMISPPAUHTMX-VHSXEESVSA-N 1 0 254.334 -0.320 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001482326783 917127576 /nfs/dbraw/zinc/12/75/76/917127576.db2.gz NSAMISPPAUHTMX-ZJUUUORDSA-N 1 0 254.334 -0.320 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001482345128 917130392 /nfs/dbraw/zinc/13/03/92/917130392.db2.gz SSDVPRHXFLYQKY-NXEZZACHSA-N 1 0 294.359 -0.455 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1nc[nH]n1 ZINC001482345130 917132260 /nfs/dbraw/zinc/13/22/60/917132260.db2.gz SSDVPRHXFLYQKY-UWVGGRQHSA-N 1 0 294.359 -0.455 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)nc1 ZINC001482353594 917135271 /nfs/dbraw/zinc/13/52/71/917135271.db2.gz DFAJKBWVVGBDLI-NSHDSACASA-N 1 0 288.351 -0.141 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001482373591 917138088 /nfs/dbraw/zinc/13/80/88/917138088.db2.gz NLVHKZWWHMCCKU-ZJUUUORDSA-N 1 0 267.329 -0.338 20 30 CBEDRO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1nnn(C)n1 ZINC001482390322 917142252 /nfs/dbraw/zinc/14/22/52/917142252.db2.gz CQQUIPRTZXKJOH-LLVKDONJSA-N 1 0 278.360 -0.033 20 30 CBEDRO CC(C)[C@@H](CNC(=O)CSCC#N)[NH2+]CC(N)=O ZINC001482518821 917153413 /nfs/dbraw/zinc/15/34/13/917153413.db2.gz SBSOFTOPESIYSM-SECBINFHSA-N 1 0 272.374 -0.541 20 30 CBEDRO COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001482549975 917157681 /nfs/dbraw/zinc/15/76/81/917157681.db2.gz BIMRLDBXOIFJGB-VXGBXAGGSA-N 1 0 296.371 -0.952 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C(C)C ZINC001482549042 917157803 /nfs/dbraw/zinc/15/78/03/917157803.db2.gz YDZXLOZRUQFJMC-RYUDHWBXSA-N 1 0 265.357 -0.172 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)C1=COCCO1 ZINC001482577722 917165403 /nfs/dbraw/zinc/16/54/03/917165403.db2.gz XVUGKLVRCQRQGW-UHFFFAOYSA-N 1 0 282.340 -0.085 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001482616306 917178539 /nfs/dbraw/zinc/17/85/39/917178539.db2.gz OUOJMYXFQZBHAX-UHFFFAOYSA-N 1 0 281.360 -0.452 20 30 CBEDRO N#CCSCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(N)=O)C1 ZINC001482657109 917197925 /nfs/dbraw/zinc/19/79/25/917197925.db2.gz IESTVKATGPYPII-WDEREUQCSA-N 1 0 296.396 -0.349 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1=COCCC1 ZINC001482713394 917219180 /nfs/dbraw/zinc/21/91/80/917219180.db2.gz MIJMSSISGIPMMV-GFCCVEGCSA-N 1 0 297.355 -0.950 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cncs1 ZINC001482712795 917219325 /nfs/dbraw/zinc/21/93/25/917219325.db2.gz NIFATESZUDWROU-SECBINFHSA-N 1 0 253.327 -0.153 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001482716562 917222619 /nfs/dbraw/zinc/22/26/19/917222619.db2.gz OLBKQCNPNZTYFO-ZYHUDNBSSA-N 1 0 296.371 -0.728 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482724929 917232235 /nfs/dbraw/zinc/23/22/35/917232235.db2.gz DOXFLACDPNKABL-OLZOCXBDSA-N 1 0 295.383 -0.523 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482724930 917232947 /nfs/dbraw/zinc/23/29/47/917232947.db2.gz DOXFLACDPNKABL-QWHCGFSZSA-N 1 0 295.383 -0.523 20 30 CBEDRO CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482728128 917235304 /nfs/dbraw/zinc/23/53/04/917235304.db2.gz HJRXZDVRBNBVHA-LBPRGKRZSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001482726732 917235771 /nfs/dbraw/zinc/23/57/71/917235771.db2.gz XUVKSGBFICNAJA-CYBMUJFWSA-N 1 0 278.356 -0.210 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(CCOC)nc1C ZINC001482727487 917236209 /nfs/dbraw/zinc/23/62/09/917236209.db2.gz AIORGMRZKZIGRE-LBPRGKRZSA-N 1 0 294.355 -0.849 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(OC)ncn1 ZINC001482729216 917239508 /nfs/dbraw/zinc/23/95/08/917239508.db2.gz LYANANUTTCNART-SNVBAGLBSA-N 1 0 278.312 -0.811 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001482729081 917240124 /nfs/dbraw/zinc/24/01/24/917240124.db2.gz OLYVLKCUMFBRNB-LBPRGKRZSA-N 1 0 292.339 -0.885 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001482733380 917240234 /nfs/dbraw/zinc/24/02/34/917240234.db2.gz DASXFRZFCUXZID-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001482733630 917245220 /nfs/dbraw/zinc/24/52/20/917245220.db2.gz MSXVAZXOSSSYPD-WCQYABFASA-N 1 0 278.356 -0.472 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001482760143 917258769 /nfs/dbraw/zinc/25/87/69/917258769.db2.gz IOPSSLOODBYEKM-ZDUSSCGKSA-N 1 0 273.336 -0.187 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001482760404 917258850 /nfs/dbraw/zinc/25/88/50/917258850.db2.gz NNIXJPSEWQRDMV-UWVGGRQHSA-N 1 0 289.763 -0.716 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001482761937 917260320 /nfs/dbraw/zinc/26/03/20/917260320.db2.gz IIKZXQVUPDAZLA-QWRGUYRKSA-N 1 0 294.355 -0.195 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001482760471 917260332 /nfs/dbraw/zinc/26/03/32/917260332.db2.gz ASGFIONMTIAXLN-GFCCVEGCSA-N 1 0 277.324 -0.580 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C)CC=CC1 ZINC001482764179 917261912 /nfs/dbraw/zinc/26/19/12/917261912.db2.gz KZIVSOMLNRHEPS-LBPRGKRZSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001482769270 917269269 /nfs/dbraw/zinc/26/92/69/917269269.db2.gz CVDIWCVZTREJPK-RWMBFGLXSA-N 1 0 278.356 -0.224 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1c(C)noc1Cl ZINC001482775751 917272300 /nfs/dbraw/zinc/27/23/00/917272300.db2.gz RFUXLGFVOQWDBR-SECBINFHSA-N 1 0 285.731 -0.121 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)COc1cccnc1 ZINC001482778830 917275759 /nfs/dbraw/zinc/27/57/59/917275759.db2.gz SNOXHQVROWLECZ-NSHDSACASA-N 1 0 263.297 -0.840 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001482778015 917277011 /nfs/dbraw/zinc/27/70/11/917277011.db2.gz YSTJWSHOJNIIAP-STQMWFEESA-N 1 0 295.383 -0.360 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1nnn(C(C)C)c1C ZINC001482781093 917278295 /nfs/dbraw/zinc/27/82/95/917278295.db2.gz MKNOLNZQWGQVPI-LBPRGKRZSA-N 1 0 293.371 -0.129 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482781499 917279671 /nfs/dbraw/zinc/27/96/71/917279671.db2.gz JHUUDEOGRCBBAC-NSHDSACASA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001482782462 917280482 /nfs/dbraw/zinc/28/04/82/917280482.db2.gz PSEZJYPSFHBLFO-JTQLQIEISA-N 1 0 250.302 -0.958 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O)cn1 ZINC001482789638 917282275 /nfs/dbraw/zinc/28/22/75/917282275.db2.gz OVQYBSOTQUGSSJ-GWCFXTLKSA-N 1 0 277.324 -0.876 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)N1CCCC1=O ZINC001482796888 917286363 /nfs/dbraw/zinc/28/63/63/917286363.db2.gz GGBUBLUWWLQKAI-NEPJUHHUSA-N 1 0 283.372 -0.360 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncc2n1CCCC2 ZINC001482797153 917287457 /nfs/dbraw/zinc/28/74/57/917287457.db2.gz LLDOOGYMKKGMLB-LBPRGKRZSA-N 1 0 276.340 -0.467 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1C(C)C ZINC001482791212 917288815 /nfs/dbraw/zinc/28/88/15/917288815.db2.gz RIBHCCBNNTWXAP-LLVKDONJSA-N 1 0 278.356 -0.143 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1nn(CC)nc1C ZINC001482798426 917290513 /nfs/dbraw/zinc/29/05/13/917290513.db2.gz DAGKIDUMBJYFDW-NSHDSACASA-N 1 0 279.344 -0.690 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nn(CC)nc1C ZINC001482798425 917291030 /nfs/dbraw/zinc/29/10/30/917291030.db2.gz DAGKIDUMBJYFDW-LLVKDONJSA-N 1 0 279.344 -0.690 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1csc(COC)n1 ZINC001482799218 917292292 /nfs/dbraw/zinc/29/22/92/917292292.db2.gz MFJGDKPPSHDDOF-SNVBAGLBSA-N 1 0 297.380 -0.007 20 30 CBEDRO C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)CNCC#N)c1 ZINC001482797831 917292600 /nfs/dbraw/zinc/29/26/00/917292600.db2.gz CNCVERXOKVCAOW-CQSZACIVSA-N 1 0 290.367 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CCCO1 ZINC001482814056 917299433 /nfs/dbraw/zinc/29/94/33/917299433.db2.gz UXQSUKYBACPLJT-QWHCGFSZSA-N 1 0 295.383 -0.211 20 30 CBEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)Cn1ncnn1 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C=CC[NH2+]C[C@@H]1CN(C(=O)CCNC(=O)COC)CCO1 ZINC001484677784 917922053 /nfs/dbraw/zinc/92/20/53/917922053.db2.gz GLKXJZZSAXHWKR-GFCCVEGCSA-N 1 0 299.371 -0.858 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001484684307 917923102 /nfs/dbraw/zinc/92/31/02/917923102.db2.gz CRUOGJPXRXYKBX-CHWSQXEVSA-N 1 0 293.367 -0.553 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001484678505 917923423 /nfs/dbraw/zinc/92/34/23/917923423.db2.gz ZNJPFRVWCKIBOK-OLZOCXBDSA-N 1 0 284.356 -0.512 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)CCO1 ZINC001484684309 917923562 /nfs/dbraw/zinc/92/35/62/917923562.db2.gz CRUOGJPXRXYKBX-QWHCGFSZSA-N 1 0 293.367 -0.553 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2cn3c(n2)CCC3)CCO1 ZINC001484676949 917923624 /nfs/dbraw/zinc/92/36/24/917923624.db2.gz GXWQMYZOQFYXDI-LBPRGKRZSA-N 1 0 288.351 -0.107 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CCO[C@H](C[NH2+]CC#CC)C1 ZINC001484676769 917923806 /nfs/dbraw/zinc/92/38/06/917923806.db2.gz 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C[C@@H](CN(C)C(=O)[C@@H]1CCCO1)[NH2+]CC(=O)NCC#N ZINC001485843705 918202290 /nfs/dbraw/zinc/20/22/90/918202290.db2.gz XLULNDDTTZONEJ-QWRGUYRKSA-N 1 0 282.344 -0.758 20 30 CBEDRO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CSCC#N ZINC001485848103 918204382 /nfs/dbraw/zinc/20/43/82/918204382.db2.gz OLFQQALNAVPVPZ-SNVBAGLBSA-N 1 0 286.401 -0.184 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)COC(C)C ZINC001485856336 918207521 /nfs/dbraw/zinc/20/75/21/918207521.db2.gz VLTFAVCREOBSTM-OLZOCXBDSA-N 1 0 297.399 -0.014 20 30 CBEDRO C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]CC(=O)NCC#N ZINC001485864261 918210888 /nfs/dbraw/zinc/21/08/88/918210888.db2.gz XUNIZNFMINGEEE-NEPJUHHUSA-N 1 0 296.371 -0.368 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001485860470 918211599 /nfs/dbraw/zinc/21/15/99/918211599.db2.gz AYHHTKSDKPSPFC-RYUDHWBXSA-N 1 0 255.362 -0.061 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCc1nnc[nH]1 ZINC001485861593 918211769 /nfs/dbraw/zinc/21/17/69/918211769.db2.gz 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C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001485914678 918226855 /nfs/dbraw/zinc/22/68/55/918226855.db2.gz WWLPSFLCCSXHIC-NMKXLXIOSA-N 1 0 293.367 -0.935 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)F ZINC001485967505 918247893 /nfs/dbraw/zinc/24/78/93/918247893.db2.gz RQGAIMPTYLMZTH-NXEZZACHSA-N 1 0 289.351 -0.508 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1CCOCC1 ZINC001485967208 918250710 /nfs/dbraw/zinc/25/07/10/918250710.db2.gz MDIPXEJSBQJABA-ZDUSSCGKSA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1C=CCC1 ZINC001485971771 918256619 /nfs/dbraw/zinc/25/66/19/918256619.db2.gz BGIJIPIRAOGIBP-CHWSQXEVSA-N 1 0 293.367 -0.841 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1n[nH]c(C)c1C ZINC001485983188 918274556 /nfs/dbraw/zinc/27/45/56/918274556.db2.gz UDIKKRMJXSJMBL-GFCCVEGCSA-N 1 0 294.355 -0.643 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001485983207 918275335 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ZINC001486002151 918295907 /nfs/dbraw/zinc/29/59/07/918295907.db2.gz ORACMCORWHNSJB-JTQLQIEISA-N 1 0 251.286 -0.775 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1nc(OC)cc(OC)n1 ZINC001486008522 918301572 /nfs/dbraw/zinc/30/15/72/918301572.db2.gz KCYPLGJGDDOLGR-VIFPVBQESA-N 1 0 296.327 -0.640 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cc(OCC)n[nH]1 ZINC001486007428 918302928 /nfs/dbraw/zinc/30/29/28/918302928.db2.gz GIRMEBVQMOYOHM-VIFPVBQESA-N 1 0 268.317 -0.325 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001486013650 918305586 /nfs/dbraw/zinc/30/55/86/918305586.db2.gz CEAKWUNBHPNXKC-RYUDHWBXSA-N 1 0 298.387 -0.580 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cn(C)ccc1=O ZINC001486013232 918306085 /nfs/dbraw/zinc/30/60/85/918306085.db2.gz BDRLSNRJBPGGKV-NSHDSACASA-N 1 0 277.324 -0.911 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001486012548 918306536 /nfs/dbraw/zinc/30/65/36/918306536.db2.gz ZRSQLINSKFRCHV-LBPRGKRZSA-N 1 0 299.334 -0.215 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001486018904 918309023 /nfs/dbraw/zinc/30/90/23/918309023.db2.gz HTOQLOJJZYYDFN-MCIONIFRSA-N 1 0 280.368 -0.109 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C)C1=O ZINC001486023149 918313184 /nfs/dbraw/zinc/31/31/84/918313184.db2.gz QDCUZXMHCIIKHY-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486023917 918315148 /nfs/dbraw/zinc/31/51/48/918315148.db2.gz XDYSVSJVYMXFKI-QWRGUYRKSA-N 1 0 284.360 -0.957 20 30 CBEDRO CC1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC=CC1 ZINC001486030382 918322736 /nfs/dbraw/zinc/32/27/36/918322736.db2.gz IPKBJAOJBZNGPL-NSHDSACASA-N 1 0 294.355 -0.951 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc2nonc2c1 ZINC001486031598 918323249 /nfs/dbraw/zinc/32/32/49/918323249.db2.gz ULRLPSAPYKHGMW-NSHDSACASA-N 1 0 288.307 -0.074 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001486034312 918326520 /nfs/dbraw/zinc/32/65/20/918326520.db2.gz PFTNIWRXRSNQSS-ZETCQYMHSA-N 1 0 272.255 -0.339 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C)nc1OC ZINC001486041857 918338156 /nfs/dbraw/zinc/33/81/56/918338156.db2.gz ZXHWQKNSVNMDNC-LLVKDONJSA-N 1 0 277.324 -0.288 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001486042175 918338780 /nfs/dbraw/zinc/33/87/80/918338780.db2.gz FWKGCEURIGFMIS-JQWIXIFHSA-N 1 0 266.345 -0.159 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nnn(C(C)C)c1C ZINC001486048424 918339707 /nfs/dbraw/zinc/33/97/07/918339707.db2.gz RUDOVRBVGKJQRF-LBPRGKRZSA-N 1 0 293.371 -0.129 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)CNC(C)=O ZINC001486045697 918341830 /nfs/dbraw/zinc/34/18/30/918341830.db2.gz XRCBUZLPXRWSMT-GFCCVEGCSA-N 1 0 285.388 -0.209 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CCn1cccc1 ZINC001486049237 918343889 /nfs/dbraw/zinc/34/38/89/918343889.db2.gz ZCRBBGJFFOYATG-ZDUSSCGKSA-N 1 0 263.341 -0.032 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)OC)cn1 ZINC001486055007 918348518 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1 0 279.344 -0.551 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](C)[NH2+]C[C@@H](O)COC)nc1 ZINC001491644183 919244314 /nfs/dbraw/zinc/24/43/14/919244314.db2.gz ZRVHPDUMRLXIFK-WCQYABFASA-N 1 0 291.351 -0.222 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001491687471 919257175 /nfs/dbraw/zinc/25/71/75/919257175.db2.gz PDTDHOCWEAOIIH-CMPLNLGQSA-N 1 0 275.356 -0.124 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001491723841 919263472 /nfs/dbraw/zinc/26/34/72/919263472.db2.gz QXDKBRJTRRWQIM-NEPJUHHUSA-N 1 0 295.383 -0.524 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001491739753 919265207 /nfs/dbraw/zinc/26/52/07/919265207.db2.gz FZKWZTUKMBYMEW-LBPRGKRZSA-N 1 0 284.323 -0.048 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001491726225 919265610 /nfs/dbraw/zinc/26/56/10/919265610.db2.gz NLJDENMHMIGERU-AAEUAGOBSA-N 1 0 288.351 -0.043 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCOC)C1 ZINC001491777744 919275007 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C#CCC[NH2+]C[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001491808906 919284232 /nfs/dbraw/zinc/28/42/32/919284232.db2.gz QBJYOTZNASKRRR-LLVKDONJSA-N 1 0 266.345 -0.623 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001491811330 919285247 /nfs/dbraw/zinc/28/52/47/919285247.db2.gz UUKSSCOVQJSIQI-NWDGAFQWSA-N 1 0 263.341 -0.416 20 30 CBEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001491866128 919290514 /nfs/dbraw/zinc/29/05/14/919290514.db2.gz RVFKRNNKUNHJGG-MNOVXSKESA-N 1 0 267.329 -0.007 20 30 CBEDRO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001491944212 919301280 /nfs/dbraw/zinc/30/12/80/919301280.db2.gz VJAWMPPEJMOWDD-NEPJUHHUSA-N 1 0 278.356 -0.386 20 30 CBEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)NC)C1 ZINC001491965072 919302699 /nfs/dbraw/zinc/30/26/99/919302699.db2.gz FZERHKSWATYAMQ-LLVKDONJSA-N 1 0 289.401 -0.356 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCOC1 ZINC001491992501 919305855 /nfs/dbraw/zinc/30/58/55/919305855.db2.gz WRJQWRVELSUHCX-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[C@@H](C)[NH2+]Cc1nncn1C ZINC001491995454 919308593 /nfs/dbraw/zinc/30/85/93/919308593.db2.gz FMOSVMDYENMLHV-NXEZZACHSA-N 1 0 264.333 -0.041 20 30 CBEDRO C[C@H](CCNC(=O)[C@@H](C)C#N)[NH2+]Cc1nncn1C ZINC001491995456 919308915 /nfs/dbraw/zinc/30/89/15/919308915.db2.gz FMOSVMDYENMLHV-VHSXEESVSA-N 1 0 264.333 -0.041 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CCNC(=O)c1nccnc1N ZINC001491995526 919310488 /nfs/dbraw/zinc/31/04/88/919310488.db2.gz HFOZCOCXPRCXAF-LLVKDONJSA-N 1 0 291.355 -0.193 20 30 CBEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001492109233 919327109 /nfs/dbraw/zinc/32/71/09/919327109.db2.gz RUVIDJSPHWJXAG-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001492132884 919330748 /nfs/dbraw/zinc/33/07/48/919330748.db2.gz KFYKVVIDRDOXNF-GHMZBOCLSA-N 1 0 274.386 -0.215 20 30 CBEDRO C[N@H+](CCNC(=O)Cn1cnnn1)Cc1ccc(C#N)cc1 ZINC001492191158 919338381 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C[C@H]1COCC[C@@H]1C(=O)NCCN(C)CC(=O)NCC#N ZINC001492407740 919409064 /nfs/dbraw/zinc/40/90/64/919409064.db2.gz ZNAIYMQZSMJTIU-RYUDHWBXSA-N 1 0 296.371 -0.653 20 30 CBEDRO COCC#CC[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001492414046 919411630 /nfs/dbraw/zinc/41/16/30/919411630.db2.gz NHBWPEDVTFCSGD-CQSZACIVSA-N 1 0 281.356 -0.790 20 30 CBEDRO C#CC[N@@H+](C)CCNC(=O)[C@H](CCCC)NC(N)=O ZINC001492890637 919441415 /nfs/dbraw/zinc/44/14/15/919441415.db2.gz WXBAIHDAKXBVOK-NSHDSACASA-N 1 0 268.361 -0.105 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCNS(C)(=O)=O ZINC001493106049 919479910 /nfs/dbraw/zinc/47/99/10/919479910.db2.gz FSXQZODRIBWCFK-LLVKDONJSA-N 1 0 287.385 -0.861 20 30 CBEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001493177489 919491736 /nfs/dbraw/zinc/49/17/36/919491736.db2.gz FVMPJSZDYGBCDR-LLVKDONJSA-N 1 0 291.355 -0.236 20 30 CBEDRO C=CCC[N@H+]1CC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001493207691 919497905 /nfs/dbraw/zinc/49/79/05/919497905.db2.gz UEAPSXYGRPAGON-LLVKDONJSA-N 1 0 268.361 -0.070 20 30 CBEDRO CC#CC[N@H+](CCC)CCNC(=O)[C@H](C)NC(N)=O ZINC001493288948 919519268 /nfs/dbraw/zinc/51/92/68/919519268.db2.gz WLPIGOWYAYUITM-NSHDSACASA-N 1 0 268.361 -0.105 20 30 CBEDRO CC#CC[N@H+](CCC)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001493337676 919526605 /nfs/dbraw/zinc/52/66/05/919526605.db2.gz WDDFMJKBJPYWHG-GFCCVEGCSA-N 1 0 293.367 -0.109 20 30 CBEDRO CC#CC[N@H+](CCNC(=O)c1ccc(=O)n(C)n1)C1CC1 ZINC001493447458 919546980 /nfs/dbraw/zinc/54/69/80/919546980.db2.gz OSDOCJNIDGGBHL-UHFFFAOYSA-N 1 0 288.351 -0.002 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(C)C(=O)C1CCCC1 ZINC001493461166 919550352 /nfs/dbraw/zinc/55/03/52/919550352.db2.gz PBIQOJPWJNEVSS-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C)OC)C1=O ZINC001493486065 919559095 /nfs/dbraw/zinc/55/90/95/919559095.db2.gz BASRQKQYYGQBNS-NEPJUHHUSA-N 1 0 283.372 -0.144 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C)OC)C1=O ZINC001493486069 919559422 /nfs/dbraw/zinc/55/94/22/919559422.db2.gz BASRQKQYYGQBNS-RYUDHWBXSA-N 1 0 283.372 -0.144 20 30 CBEDRO Cc1nc(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)c[nH]1 ZINC001493500380 919560038 /nfs/dbraw/zinc/56/00/38/919560038.db2.gz NHNOXSBGRWRFDL-UHFFFAOYSA-N 1 0 278.316 -0.981 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001493498983 919561035 /nfs/dbraw/zinc/56/10/35/919561035.db2.gz FPEXWDJCERVHNY-NSHDSACASA-N 1 0 266.345 -0.184 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)C#N ZINC001493498269 919561216 /nfs/dbraw/zinc/56/12/16/919561216.db2.gz ALLKKPKMIRLVAJ-MNOVXSKESA-N 1 0 264.329 -0.668 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(=O)C(C)(C)C ZINC001493499699 919562964 /nfs/dbraw/zinc/56/29/64/919562964.db2.gz KHYAXIIKVJENKX-NSHDSACASA-N 1 0 295.383 -0.213 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001493501386 919564187 /nfs/dbraw/zinc/56/41/87/919564187.db2.gz UHGCWIANWTWVEN-ZJUUUORDSA-N 1 0 252.318 -0.527 20 30 CBEDRO C#CCC[NH2+]CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001493507290 919564647 /nfs/dbraw/zinc/56/46/47/919564647.db2.gz GCKMCWDOFCOBST-GFCCVEGCSA-N 1 0 253.346 -0.612 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001493501384 919565209 /nfs/dbraw/zinc/56/52/09/919565209.db2.gz UHGCWIANWTWVEN-VHSXEESVSA-N 1 0 252.318 -0.527 20 30 CBEDRO CNC(=O)C[NH2+]CCN(C)C(=O)C#CC(C)(C)C ZINC001493543894 919578261 /nfs/dbraw/zinc/57/82/61/919578261.db2.gz DPPJZJMSEJZBKL-UHFFFAOYSA-N 1 0 253.346 -0.170 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C1(C)CC1 ZINC001493553978 919578800 /nfs/dbraw/zinc/57/88/00/919578800.db2.gz GQAAKSQWYLOHNA-UHFFFAOYSA-N 1 0 296.371 -0.154 20 30 CBEDRO CC#CC[NH2+]CCN(C)C(=O)[C@H](C)NS(=O)(=O)CC ZINC001493556545 919580908 /nfs/dbraw/zinc/58/09/08/919580908.db2.gz VPLKZOYORTUICT-NSHDSACASA-N 1 0 289.401 -0.615 20 30 CBEDRO CN(CC[NH2+]CC(=O)NCC#N)C(=O)C1C=CC=CC=C1 ZINC001493560280 919581172 /nfs/dbraw/zinc/58/11/72/919581172.db2.gz QCWNWMLCYFBJTG-UHFFFAOYSA-N 1 0 288.351 -0.027 20 30 CBEDRO C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@@H]1NC(=O)NC1=O 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C=C(C)C[NH2+]C[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001495631798 919914165 /nfs/dbraw/zinc/91/41/65/919914165.db2.gz OEULXUVYGSIFIR-JTQLQIEISA-N 1 0 262.375 -0.051 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001495653863 919920612 /nfs/dbraw/zinc/92/06/12/919920612.db2.gz YYXRLPLCPKGTBP-SMDDNHRTSA-N 1 0 295.387 -0.016 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001495669635 919925263 /nfs/dbraw/zinc/92/52/63/919925263.db2.gz BZAJBLNAYSEKRA-JTQLQIEISA-N 1 0 274.386 -0.051 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001495684692 919926434 /nfs/dbraw/zinc/92/64/34/919926434.db2.gz QSQOUSDQHCGUGT-VXGBXAGGSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC(OC)C1 ZINC001495686335 919928199 /nfs/dbraw/zinc/92/81/99/919928199.db2.gz HDBFECBXSOXDGX-HIFPTAJRSA-N 1 0 295.383 -0.497 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001495718573 919933067 /nfs/dbraw/zinc/93/30/67/919933067.db2.gz ROADHBXGCNPMQH-GHMZBOCLSA-N 1 0 266.345 -0.625 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001495719495 919933606 /nfs/dbraw/zinc/93/36/06/919933606.db2.gz MBBKQGGWVLTRGI-GFCCVEGCSA-N 1 0 282.388 -0.664 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001495749616 919936968 /nfs/dbraw/zinc/93/69/68/919936968.db2.gz IFKDRZSIRGACDP-MNOVXSKESA-N 1 0 296.371 -0.107 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001495786107 919942141 /nfs/dbraw/zinc/94/21/41/919942141.db2.gz VLJVNKZENMBZAQ-NSHDSACASA-N 1 0 294.355 -0.707 20 30 CBEDRO Cc1nc[nH]c1C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001495818489 919953683 /nfs/dbraw/zinc/95/36/83/919953683.db2.gz JFDKGNJVLGLFPY-SECBINFHSA-N 1 0 292.343 -0.687 20 30 CBEDRO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CCCC1 ZINC001495900348 919980919 /nfs/dbraw/zinc/98/09/19/919980919.db2.gz CZOKTYDBAKZUQD-JTQLQIEISA-N 1 0 266.345 -0.089 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2CN(C)CCO2)CCCC1 ZINC001495906957 919985176 /nfs/dbraw/zinc/98/51/76/919985176.db2.gz MQFWIYPZHBTGPZ-CYBMUJFWSA-N 1 0 279.384 -0.031 20 30 CBEDRO C=CC[NH2+]C1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CCCC1 ZINC001495950094 919993046 /nfs/dbraw/zinc/99/30/46/919993046.db2.gz ULDHBNSSTUBOIC-JTQLQIEISA-N 1 0 294.355 -0.211 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(F)F ZINC001495986595 919994076 /nfs/dbraw/zinc/99/40/76/919994076.db2.gz ZUNJCLJBSRXWSD-MRVPVSSYSA-N 1 0 261.272 -0.563 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)CSCC#N ZINC001496000001 920002818 /nfs/dbraw/zinc/00/28/18/920002818.db2.gz CKNVZZBRSATBOT-SNVBAGLBSA-N 1 0 297.384 -0.681 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001496028505 920008604 /nfs/dbraw/zinc/00/86/04/920008604.db2.gz RKEGFKMXLXEHOE-ZJUUUORDSA-N 1 0 254.334 -0.329 20 30 CBEDRO C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001496034345 920010595 /nfs/dbraw/zinc/01/05/95/920010595.db2.gz DFLNXBSBTYEPMU-QWRGUYRKSA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cn(CCOC)nn1 ZINC001496055840 920017850 /nfs/dbraw/zinc/01/78/50/920017850.db2.gz NLMLKZNXQFSJRV-GFCCVEGCSA-N 1 0 293.371 -0.002 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001496051968 920020352 /nfs/dbraw/zinc/02/03/52/920020352.db2.gz SIBCLTHSARQEBL-ZJUUUORDSA-N 1 0 253.302 -0.445 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001496068694 920023275 /nfs/dbraw/zinc/02/32/75/920023275.db2.gz ANWPLYKDPXUADL-MNOVXSKESA-N 1 0 279.340 -0.406 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001496137829 920029783 /nfs/dbraw/zinc/02/97/83/920029783.db2.gz GMTFFLSJWUWBLH-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001496137834 920030222 /nfs/dbraw/zinc/03/02/22/920030222.db2.gz GMTFFLSJWUWBLH-VXGBXAGGSA-N 1 0 265.357 -0.076 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001496144828 920031659 /nfs/dbraw/zinc/03/16/59/920031659.db2.gz WTKBTWXOQHLGGF-SNVBAGLBSA-N 1 0 251.330 -0.288 20 30 CBEDRO C=C1CC(C)(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001496154226 920034067 /nfs/dbraw/zinc/03/40/67/920034067.db2.gz ZNLNXMVLLLNZDN-SNVBAGLBSA-N 1 0 296.371 -0.026 20 30 CBEDRO C=CCCn1cc(C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)nn1 ZINC001496184910 920038012 /nfs/dbraw/zinc/03/80/12/920038012.db2.gz REQPGMQQIJEYDW-SNVBAGLBSA-N 1 0 294.359 -0.610 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)N(C)C(=O)COCc1nncn1C ZINC001496199289 920044298 /nfs/dbraw/zinc/04/42/98/920044298.db2.gz WNKZIHFVTARDQN-GFCCVEGCSA-N 1 0 293.371 -0.209 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001496328194 920060270 /nfs/dbraw/zinc/06/02/70/920060270.db2.gz CDJNDBVXUXQAIZ-NEPJUHHUSA-N 1 0 276.344 -0.477 20 30 CBEDRO COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C(N)=O ZINC001496412003 920069412 /nfs/dbraw/zinc/06/94/12/920069412.db2.gz AKLJAMUWQWSRCN-GFCCVEGCSA-N 1 0 281.356 -0.518 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)CN(C)S(C)(=O)=O)C(C)C ZINC001496567154 920085945 /nfs/dbraw/zinc/08/59/45/920085945.db2.gz NTHRRNLMJXKOBM-LLVKDONJSA-N 1 0 291.417 -0.206 20 30 CBEDRO CC(C)[C@@H](CNC(=O)C(F)F)[NH2+]CC(=O)NCC#N ZINC001496517714 920079483 /nfs/dbraw/zinc/07/94/83/920079483.db2.gz OFGOAFREWCGZTG-MRVPVSSYSA-N 1 0 276.287 -0.378 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001496535269 920081870 /nfs/dbraw/zinc/08/18/70/920081870.db2.gz UPUFJXLQMZIHBF-VHSXEESVSA-N 1 0 294.359 -0.502 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001496550714 920086941 /nfs/dbraw/zinc/08/69/41/920086941.db2.gz PCFQSNHFYGSXCM-ZWNOBZJWSA-N 1 0 271.361 -0.471 20 30 CBEDRO C#CCC[NH2+][C@@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001496562722 920088667 /nfs/dbraw/zinc/08/86/67/920088667.db2.gz TYVHBDPIEZZNNA-NSHDSACASA-N 1 0 264.333 -0.573 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)CCN1C(=O)CCC1=O)C(C)C ZINC001496577351 920092211 /nfs/dbraw/zinc/09/22/11/920092211.db2.gz DBBRIVVRJQWIJL-GFCCVEGCSA-N 1 0 293.367 -0.111 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001496712947 920119289 /nfs/dbraw/zinc/11/92/89/920119289.db2.gz BCUAIAHIYILIAV-UHFFFAOYSA-N 1 0 291.417 -0.156 20 30 CBEDRO CC#CC[N@@H+](C)CCN(C)C(=O)CNC(=O)NC ZINC001496714375 920119875 /nfs/dbraw/zinc/11/98/75/920119875.db2.gz JQHTTXUIWFUAAC-UHFFFAOYSA-N 1 0 254.334 -0.671 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001496742221 920123354 /nfs/dbraw/zinc/12/33/54/920123354.db2.gz ICAGPUJMTANNAM-OLZOCXBDSA-N 1 0 295.383 -0.177 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)cn1 ZINC001496927636 920150072 /nfs/dbraw/zinc/15/00/72/920150072.db2.gz CGOAZELTZXIJDV-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CCCC1 ZINC001496930508 920155779 /nfs/dbraw/zinc/15/57/79/920155779.db2.gz AYENWPGOPMEFBC-DGCLKSJQSA-N 1 0 297.399 -0.066 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001496947971 920170344 /nfs/dbraw/zinc/17/03/44/920170344.db2.gz BPVUAEDQKZBBHC-OLZOCXBDSA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1oc(C)nc1C ZINC001496961383 920180110 /nfs/dbraw/zinc/18/01/10/920180110.db2.gz OCPVUOYPIMZQMJ-SNVBAGLBSA-N 1 0 251.286 -0.395 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](OC)C1CC1 ZINC001496974944 920186955 /nfs/dbraw/zinc/18/69/55/920186955.db2.gz DVVCFIDTUBIDAP-STQMWFEESA-N 1 0 284.356 -0.872 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC(OCC)C1 ZINC001496975979 920187078 /nfs/dbraw/zinc/18/70/78/920187078.db2.gz KASJSXJPLRFQHU-OTTFEQOBSA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001496979180 920190813 /nfs/dbraw/zinc/19/08/13/920190813.db2.gz ORVDUUKSHFHDRV-HZSPNIEDSA-N 1 0 273.336 -0.115 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001496989477 920194950 /nfs/dbraw/zinc/19/49/50/920194950.db2.gz DNCFFWRAUFFHCL-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO C[NH+](C)C1(C(=O)NC[C@H](O)CNCC#N)CCC1 ZINC001496995433 920198880 /nfs/dbraw/zinc/19/88/80/920198880.db2.gz JDHSRAONGSCJCW-SNVBAGLBSA-N 1 0 254.334 -0.939 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccsn1 ZINC001497001396 920200232 /nfs/dbraw/zinc/20/02/32/920200232.db2.gz GPVAQOBTIAQOLA-SECBINFHSA-N 1 0 298.368 -0.874 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=C)C ZINC001496999585 920200717 /nfs/dbraw/zinc/20/07/17/920200717.db2.gz VZLGXXNXDGPFSS-KGLIPLIRSA-N 1 0 279.384 -0.273 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001496998181 920201008 /nfs/dbraw/zinc/20/10/08/920201008.db2.gz MDVUEEGVFKPHKK-NSHDSACASA-N 1 0 292.339 -0.883 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)cn1C ZINC001497015584 920206666 /nfs/dbraw/zinc/20/66/66/920206666.db2.gz AHEAFWFZZZGIHT-JTQLQIEISA-N 1 0 269.732 -0.008 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001497013444 920208797 /nfs/dbraw/zinc/20/87/97/920208797.db2.gz XZTYTHIHEYDVBI-WCQYABFASA-N 1 0 278.356 -0.302 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C(F)(F)F ZINC001497032057 920215531 /nfs/dbraw/zinc/21/55/31/920215531.db2.gz CCSGAFZSUTYVAT-YUMQZZPRSA-N 1 0 252.236 -0.115 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1ccccc1=O ZINC001497031748 920216301 /nfs/dbraw/zinc/21/63/01/920216301.db2.gz AEVAQQDGJDGAOO-CYBMUJFWSA-N 1 0 291.351 -0.672 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001497033791 920218941 /nfs/dbraw/zinc/21/89/41/920218941.db2.gz MOTPIIVFNOMWKK-NWDGAFQWSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001497034221 920219758 /nfs/dbraw/zinc/21/97/58/920219758.db2.gz OVXUQHACCVTTDO-WDEREUQCSA-N 1 0 293.323 -0.160 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC001497034219 920221211 /nfs/dbraw/zinc/22/12/11/920221211.db2.gz OVXUQHACCVTTDO-MNOVXSKESA-N 1 0 293.323 -0.160 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001497050220 920227486 /nfs/dbraw/zinc/22/74/86/920227486.db2.gz WTFMOGZZQJSKHN-SNVBAGLBSA-N 1 0 269.345 -0.715 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001497067537 920237103 /nfs/dbraw/zinc/23/71/03/920237103.db2.gz TVVNSXNDFRRKDN-SNVBAGLBSA-N 1 0 292.401 -0.548 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]CCC)nn1 ZINC001497068711 920238482 /nfs/dbraw/zinc/23/84/82/920238482.db2.gz QXCCGDQZIPQTMU-JTQLQIEISA-N 1 0 267.333 -0.446 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)C1(C)CCOCC1 ZINC001497075533 920238824 /nfs/dbraw/zinc/23/88/24/920238824.db2.gz JLNNJOZAWLLGDD-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001497091770 920246769 /nfs/dbraw/zinc/24/67/69/920246769.db2.gz KMVQADDEGJTWMN-LLVKDONJSA-N 1 0 278.356 -0.223 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001497099843 920247751 /nfs/dbraw/zinc/24/77/51/920247751.db2.gz VRELBYCJPKCIDE-KGLIPLIRSA-N 1 0 287.363 -0.114 20 30 CBEDRO CCc1nc[nH]c1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001497104004 920249813 /nfs/dbraw/zinc/24/98/13/920249813.db2.gz KYPIZFMMIUPKOV-NSHDSACASA-N 1 0 294.355 -0.698 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001497118358 920251815 /nfs/dbraw/zinc/25/18/15/920251815.db2.gz NKOHXRBDCANRKJ-JQWIXIFHSA-N 1 0 276.340 -0.786 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001497117175 920254175 /nfs/dbraw/zinc/25/41/75/920254175.db2.gz IIVDUFGKUNQVHX-UBHSHLNASA-N 1 0 297.399 -0.373 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)COC[C@@H]1CCCO1 ZINC001497124883 920255907 /nfs/dbraw/zinc/25/59/07/920255907.db2.gz CKPQRAWFSWOSTL-STQMWFEESA-N 1 0 284.356 -0.728 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)COC[C@@H]1CCCO1 ZINC001497124881 920256232 /nfs/dbraw/zinc/25/62/32/920256232.db2.gz CKPQRAWFSWOSTL-OLZOCXBDSA-N 1 0 284.356 -0.728 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001497129307 920256886 /nfs/dbraw/zinc/25/68/86/920256886.db2.gz VONREIIIFWAPCO-BXUZGUMPSA-N 1 0 283.372 -0.312 20 30 CBEDRO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC#Cc1ccccc1 ZINC001497120105 920257583 /nfs/dbraw/zinc/25/75/83/920257583.db2.gz XZZHIWVMMMJXAV-UKRRQHHQSA-N 1 0 290.363 -0.124 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001497128995 920257845 /nfs/dbraw/zinc/25/78/45/920257845.db2.gz SVXXZLVYQJTSRU-SECBINFHSA-N 1 0 289.291 -0.153 20 30 CBEDRO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CC#Cc1ccccc1 ZINC001497120106 920258110 /nfs/dbraw/zinc/25/81/10/920258110.db2.gz XZZHIWVMMMJXAV-ZFWWWQNUSA-N 1 0 290.363 -0.124 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)SC ZINC001497147518 920261539 /nfs/dbraw/zinc/26/15/39/920261539.db2.gz UWEVGJIAHKJNHD-WDEREUQCSA-N 1 0 285.413 -0.028 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)CC1(O)CCC1 ZINC001497179982 920268862 /nfs/dbraw/zinc/26/88/62/920268862.db2.gz ATPDRTXSHKNEDB-LLVKDONJSA-N 1 0 296.371 -0.584 20 30 CBEDRO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001497165360 920268971 /nfs/dbraw/zinc/26/89/71/920268971.db2.gz FLQSJBDJSBRLSQ-SECBINFHSA-N 1 0 277.328 -0.270 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001497220330 920270125 /nfs/dbraw/zinc/27/01/25/920270125.db2.gz POZKMDHADRPMMB-ZJUUUORDSA-N 1 0 292.343 -0.959 20 30 CBEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001497238140 920274453 /nfs/dbraw/zinc/27/44/53/920274453.db2.gz MBGJKPHIISLUNO-NSHDSACASA-N 1 0 281.360 -0.358 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001497333683 920284326 /nfs/dbraw/zinc/28/43/26/920284326.db2.gz UDZALTZCUSPXQS-RYUDHWBXSA-N 1 0 275.356 -0.042 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1COCCO1 ZINC001497360316 920291895 /nfs/dbraw/zinc/29/18/95/920291895.db2.gz MWPBJBZXRAJORT-ZDUSSCGKSA-N 1 0 284.356 -0.510 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1COCCO1 ZINC001497360927 920294387 /nfs/dbraw/zinc/29/43/87/920294387.db2.gz WXOFCAQIEJVKHR-LBPRGKRZSA-N 1 0 254.330 -0.137 20 30 CBEDRO CCC(=O)NCC(=O)N(CC)CC[NH2+]CC#CCOC ZINC001497363025 920294409 /nfs/dbraw/zinc/29/44/09/920294409.db2.gz YCBQIBZMNGDUBX-UHFFFAOYSA-N 1 0 283.372 -0.400 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CN1CCOCC1 ZINC001497377717 920297389 /nfs/dbraw/zinc/29/73/89/920297389.db2.gz YXWICMLTMZMEJF-UHFFFAOYSA-N 1 0 255.362 -0.057 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C1CS(=O)(=O)C1 ZINC001497392164 920298397 /nfs/dbraw/zinc/29/83/97/920298397.db2.gz UAPPWHQBXFAYFU-UHFFFAOYSA-N 1 0 258.343 -0.898 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)C[C@@H]1CCNC1=O ZINC001497401735 920302409 /nfs/dbraw/zinc/30/24/09/920302409.db2.gz YZTYNRZFVHKIDW-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)C[C@H]1CCNC1=O ZINC001497401733 920302759 /nfs/dbraw/zinc/30/27/59/920302759.db2.gz YZTYNRZFVHKIDW-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001497396567 920303297 /nfs/dbraw/zinc/30/32/97/920303297.db2.gz HCYRWJYVIJHTOA-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001497393899 920304167 /nfs/dbraw/zinc/30/41/67/920304167.db2.gz LZDACASMTVIEAB-STQMWFEESA-N 1 0 297.399 -0.061 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCN(C)C1=O ZINC001497440123 920305907 /nfs/dbraw/zinc/30/59/07/920305907.db2.gz YQMHSLAZFLWBKD-GFCCVEGCSA-N 1 0 265.357 -0.074 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCN(C)C1=O ZINC001497440124 920305983 /nfs/dbraw/zinc/30/59/83/920305983.db2.gz YQMHSLAZFLWBKD-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO C[C@@H](O)C[NH2+]C/C=C\CNC(=O)CSCC#N ZINC001497533473 920320399 /nfs/dbraw/zinc/32/03/99/920320399.db2.gz FEPFPYCYUJKAQF-MXQLGCADSA-N 1 0 257.359 -0.114 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)c1cn[nH]c1 ZINC001497534585 920327812 /nfs/dbraw/zinc/32/78/12/920327812.db2.gz MZIXIPQYLKLCRS-ONEGZZNKSA-N 1 0 277.328 -0.413 20 30 CBEDRO C[C@@H](C#N)C(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001497549842 920333517 /nfs/dbraw/zinc/33/35/17/920333517.db2.gz VCBWDMNKYYNZPY-VUDBWIFFSA-N 1 0 264.329 -0.360 20 30 CBEDRO 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267.329 -0.707 20 30 CBEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001497585655 920351473 /nfs/dbraw/zinc/35/14/73/920351473.db2.gz LWVIPZCFCNCEJO-ONEGZZNKSA-N 1 0 292.343 -0.785 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC(=O)N1 ZINC001497608728 920352068 /nfs/dbraw/zinc/35/20/68/920352068.db2.gz TZJZOHHFDZSIGR-XQJDBVBESA-N 1 0 293.367 -0.433 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)C(C)(C)NS(C)(=O)=O ZINC001497694291 920373049 /nfs/dbraw/zinc/37/30/49/920373049.db2.gz GUUZBGDTAFMISL-SREVYHEPSA-N 1 0 287.385 -0.791 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C(F)F ZINC001497779463 920378701 /nfs/dbraw/zinc/37/87/01/920378701.db2.gz JXXGNXWNTGIIIW-SSDOTTSWSA-N 1 0 292.286 -0.642 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCc1ccco1 ZINC001497787944 920383846 /nfs/dbraw/zinc/38/38/46/920383846.db2.gz IPOOCKKSBMXGPK-LLVKDONJSA-N 1 0 292.339 -0.054 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C)OC ZINC001497793715 920383994 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266.345 -0.041 20 30 CBEDRO CS(=O)(=O)N1CC(CNC(=[NH2+])N2CCSCC2)C1 ZINC000186886229 220228595 /nfs/dbraw/zinc/22/85/95/220228595.db2.gz AVDMPAKHHRLPNT-UHFFFAOYSA-N 1 0 292.430 -0.759 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C1CCOCC1 ZINC000491486397 373705737 /nfs/dbraw/zinc/70/57/37/373705737.db2.gz VRQMBTWMIPOVBN-GFCCVEGCSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000491725960 373705885 /nfs/dbraw/zinc/70/58/85/373705885.db2.gz CHEDBHJEWGKHJO-UHFFFAOYSA-N 1 0 295.364 -0.437 20 30 CBEDRO C=CCN(CCOC)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000191084665 220233391 /nfs/dbraw/zinc/23/33/91/220233391.db2.gz QEUGDUNOHSFFRQ-LBPRGKRZSA-N 1 0 283.372 -0.155 20 30 CBEDRO C=CCN(CCOC)CC(=O)N1CCNC(=O)C1 ZINC000191095389 220233451 /nfs/dbraw/zinc/23/34/51/220233451.db2.gz YBBVNLGKAJDKBK-UHFFFAOYSA-N 1 0 255.318 -0.921 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188184570 220231917 /nfs/dbraw/zinc/23/19/17/220231917.db2.gz QYTDAAUUAMXRHB-GFCCVEGCSA-N 1 0 253.346 -0.259 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CO)[C@H](O)C2)C1=O ZINC000515529833 373790643 /nfs/dbraw/zinc/79/06/43/373790643.db2.gz KHOMQUFUEROQIH-GRYCIOLGSA-N 1 0 254.330 -0.552 20 30 CBEDRO CCNC(=O)CN1CCCN(c2ccnc(C#N)n2)CC1 ZINC000515869321 373798538 /nfs/dbraw/zinc/79/85/38/373798538.db2.gz BAWIBZGIGMMWQX-UHFFFAOYSA-N 1 0 288.355 -0.004 20 30 CBEDRO CNC(=O)CNC(=[NH+]C)N(C)Cc1cccn1C ZINC000261968219 220246529 /nfs/dbraw/zinc/24/65/29/220246529.db2.gz LZVGYVNJCMPXQA-UHFFFAOYSA-N 1 0 251.334 -0.222 20 30 CBEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000261659801 220243657 /nfs/dbraw/zinc/24/36/57/220243657.db2.gz BBACECUVVGOROB-ZJUUUORDSA-N 1 0 292.405 -0.793 20 30 CBEDRO C#CCNC(=[NH+]C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261674962 220244191 /nfs/dbraw/zinc/24/41/91/220244191.db2.gz HAUNYZDWAWOSPD-ZDUSSCGKSA-N 1 0 264.373 -0.151 20 30 CBEDRO C[NH+]=C(NCc1noc(C)n1)N1CCO[C@@H](COC)C1 ZINC000261743506 220244267 /nfs/dbraw/zinc/24/42/67/220244267.db2.gz BOJPBYHALCNXQW-SNVBAGLBSA-N 1 0 283.332 -0.199 20 30 CBEDRO [NH2+]=C(NC[C@H](O)C(F)(F)F)NC[C@H]1CCCO1 ZINC000261701495 220244371 /nfs/dbraw/zinc/24/43/71/220244371.db2.gz CPNDFQBMDJHKJF-RQJHMYQMSA-N 1 0 255.240 -0.007 20 30 CBEDRO COCCn1cc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000261665450 220244533 /nfs/dbraw/zinc/24/45/33/220244533.db2.gz GNVAXYBZOBHETK-UHFFFAOYSA-N 1 0 267.333 -0.324 20 30 CBEDRO [NH2+]=C(NC[C@@H](O)C(F)(F)F)NC[C@@H]1CCCO1 ZINC000261701491 220244810 /nfs/dbraw/zinc/24/48/10/220244810.db2.gz CPNDFQBMDJHKJF-NKWVEPMBSA-N 1 0 255.240 -0.007 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528748838 373979856 /nfs/dbraw/zinc/97/98/56/373979856.db2.gz RUHHNVVDDHWXLE-BNOWGMLFSA-N 1 0 270.373 -0.010 20 30 CBEDRO C#CCNC(=[NH+]CC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261850006 220246302 /nfs/dbraw/zinc/24/63/02/220246302.db2.gz XEJYEJQJCFIPND-UHFFFAOYSA-N 1 0 288.355 -0.333 20 30 CBEDRO CC(C)NC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000261916526 220246696 /nfs/dbraw/zinc/24/66/96/220246696.db2.gz UNMOHCUYIYWCGT-VIFPVBQESA-N 1 0 262.379 -0.419 20 30 CBEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)NCC(=O)N(C)C ZINC000262147456 220247514 /nfs/dbraw/zinc/24/75/14/220247514.db2.gz AFVMFKWUVMFAFI-UHFFFAOYSA-N 1 0 291.355 -0.122 20 30 CBEDRO C[NH+]=C(NCCNS(C)(=O)=O)NCc1ccco1 ZINC000262130931 220247898 /nfs/dbraw/zinc/24/78/98/220247898.db2.gz NXWJWWWMDMCYPY-UHFFFAOYSA-N 1 0 274.346 -0.506 20 30 CBEDRO [NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)N1CCOCC1 ZINC000262205797 220248012 /nfs/dbraw/zinc/24/80/12/220248012.db2.gz IBAVHXKBUVJLMS-JTQLQIEISA-N 1 0 275.374 -0.399 20 30 CBEDRO C[NH+]=C(NCCn1cccn1)NCC(=O)N(C)C ZINC000262232352 220248048 /nfs/dbraw/zinc/24/80/48/220248048.db2.gz NHKAIRRSMKYKPU-UHFFFAOYSA-N 1 0 252.322 -0.864 20 30 CBEDRO N#Cc1ncn(CCNC(=[NH2+])NC[C@H]2CCCO2)n1 ZINC000262173070 220248214 /nfs/dbraw/zinc/24/82/14/220248214.db2.gz VJNIJLHOHFPBEK-SECBINFHSA-N 1 0 263.305 -0.767 20 30 CBEDRO CC(C)CNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000262024053 220248544 /nfs/dbraw/zinc/24/85/44/220248544.db2.gz YYSIDRAASAGUMK-UHFFFAOYSA-N 1 0 262.379 -0.418 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCN(C2CC2)C1 ZINC000262348655 220249143 /nfs/dbraw/zinc/24/91/43/220249143.db2.gz YKVNZYGAPNHUJT-JTQLQIEISA-N 1 0 267.377 -0.524 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCS(=O)(=O)C2)CCO1 ZINC000262310331 220249446 /nfs/dbraw/zinc/24/94/46/220249446.db2.gz NOASUPLCSLERQF-WDEREUQCSA-N 1 0 289.401 -0.153 20 30 CBEDRO [NH2+]=C(NCCN1CCNC(=O)C1)Nc1ccccn1 ZINC000262295343 220249754 /nfs/dbraw/zinc/24/97/54/220249754.db2.gz ZPVJGJQCJNWZDE-UHFFFAOYSA-N 1 0 262.317 -0.760 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1cnc(N(C)C)n1C ZINC000262326960 220249815 /nfs/dbraw/zinc/24/98/15/220249815.db2.gz UHHUTBXXRSDBIY-UHFFFAOYSA-N 1 0 295.391 -0.761 20 30 CBEDRO C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@H]1CCCO1 ZINC000262342593 220249975 /nfs/dbraw/zinc/24/99/75/220249975.db2.gz CTXZTRKHNQZMFI-NEPJUHHUSA-N 1 0 281.360 -0.203 20 30 CBEDRO CN(C)S(=O)(=O)CCNC(=[NH2+])N1CCSCC1 ZINC000262333479 220250032 /nfs/dbraw/zinc/25/00/32/220250032.db2.gz VMJIVPWBFVYNIE-UHFFFAOYSA-N 1 0 280.419 -0.759 20 30 CBEDRO NS(=O)(=O)c1ccccc1CNC(=[NH2+])NC1CC1 ZINC000262294429 220250151 /nfs/dbraw/zinc/25/01/51/220250151.db2.gz IKKFQTHIEKYWHW-UHFFFAOYSA-N 1 0 268.342 -0.099 20 30 CBEDRO C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1CCCO1 ZINC000262342595 220250270 /nfs/dbraw/zinc/25/02/70/220250270.db2.gz CTXZTRKHNQZMFI-NWDGAFQWSA-N 1 0 281.360 -0.203 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(CO)CCOCC2)CCO1 ZINC000262442800 220250776 /nfs/dbraw/zinc/25/07/76/220250776.db2.gz HXOCVCPVCQQYII-LLVKDONJSA-N 1 0 271.361 -0.189 20 30 CBEDRO NC(=O)c1coc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000262404740 220250801 /nfs/dbraw/zinc/25/08/01/220250801.db2.gz BBBAQIVTDJZHFL-VIFPVBQESA-N 1 0 266.301 -0.038 20 30 CBEDRO NC(=O)[C@@H]1CC[C@H](CNC(=[NH2+])NCC2CCC2)O1 ZINC000262422154 220250907 /nfs/dbraw/zinc/25/09/07/220250907.db2.gz RDAAFOLIPKBCNU-ZJUUUORDSA-N 1 0 254.334 -0.276 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NCC2(C(N)=O)CCOCC2)CCO1 ZINC000262484455 220251098 /nfs/dbraw/zinc/25/10/98/220251098.db2.gz SFNOBADGQMOMNB-JTQLQIEISA-N 1 0 284.360 -0.696 20 30 CBEDRO CCn1cnnc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262421942 220251308 /nfs/dbraw/zinc/25/13/08/220251308.db2.gz BJWCQSNGPYHGHS-VIFPVBQESA-N 1 0 252.322 -0.167 20 30 CBEDRO COC(=O)c1cn(CCNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000262481057 220251341 /nfs/dbraw/zinc/25/13/41/220251341.db2.gz CYIZYUXQXTZCDO-SSDOTTSWSA-N 1 0 252.278 -0.998 20 30 CBEDRO C[C@H]1CN(C(=[NH2+])NC[C@@]2(CCO)CCOC2)CCO1 ZINC000262421023 220251481 /nfs/dbraw/zinc/25/14/81/220251481.db2.gz BAUAMUNYSUQLOI-WCQYABFASA-N 1 0 271.361 -0.189 20 30 CBEDRO C#CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C(C)C ZINC000262439878 220251878 /nfs/dbraw/zinc/25/18/78/220251878.db2.gz UKEQXSANUDPSQA-LLVKDONJSA-N 1 0 271.386 -0.002 20 30 CBEDRO Cc1noc(CCNC(=[NH2+])N2CCO[C@@H](C)C2)n1 ZINC000262480068 220251915 /nfs/dbraw/zinc/25/19/15/220251915.db2.gz RGEOPIYXUNFMKD-QMMMGPOBSA-N 1 0 253.306 -0.044 20 30 CBEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262501552 220252474 /nfs/dbraw/zinc/25/24/74/220252474.db2.gz YPKCWYVEVUGIKU-SNVBAGLBSA-N 1 0 275.374 -0.377 20 30 CBEDRO C#CCNC(NCCNC(=O)c1cnccn1)=[NH+]C ZINC000262603327 220252658 /nfs/dbraw/zinc/25/26/58/220252658.db2.gz FBNWJOINTLTEBF-UHFFFAOYSA-N 1 0 260.301 -0.995 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N(C)Cc1cnn(C)c1 ZINC000262515066 220252831 /nfs/dbraw/zinc/25/28/31/220252831.db2.gz CNKCHJWHSULOQL-UHFFFAOYSA-N 1 0 266.349 -0.485 20 30 CBEDRO CCOC(=O)C1CCN(C(NCC(=O)NC)=[NH+]C)CC1 ZINC000262535648 220253198 /nfs/dbraw/zinc/25/31/98/220253198.db2.gz JPOGSAWSMYQFSE-UHFFFAOYSA-N 1 0 284.360 -0.417 20 30 CBEDRO CS(=O)(=O)NCCNC(=[NH2+])N1CCCCCC1 ZINC000262542313 220253474 /nfs/dbraw/zinc/25/34/74/220253474.db2.gz RITQUJJGZYDJPP-UHFFFAOYSA-N 1 0 262.379 -0.274 20 30 CBEDRO C#CCNC(NC[C@@]1(N2CCOCC2)CCSC1)=[NH+]C ZINC000262623948 220253498 /nfs/dbraw/zinc/25/34/98/220253498.db2.gz IBDHVWAUKKBWTP-AWEZNQCLSA-N 1 0 296.440 -0.008 20 30 CBEDRO N#Cc1ncn(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000532666390 374170985 /nfs/dbraw/zinc/17/09/85/374170985.db2.gz JYKBZPWVAJPWOY-LLVKDONJSA-N 1 0 274.328 -0.154 20 30 CBEDRO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)NCC[NH+](C)C ZINC000552077809 374259184 /nfs/dbraw/zinc/25/91/84/374259184.db2.gz ZDCVISSWDUMTSS-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO CC(C)N1C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC1=O ZINC000577841243 374339979 /nfs/dbraw/zinc/33/99/79/374339979.db2.gz CLXMJGOVVHTTTO-OLZOCXBDSA-N 1 0 282.388 -0.208 20 30 CBEDRO C=CCn1cc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)nn1 ZINC000644200023 374501453 /nfs/dbraw/zinc/50/14/53/374501453.db2.gz IMVFUIBRIXGLRI-JQWIXIFHSA-N 1 0 294.359 -0.278 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000645281454 374656819 /nfs/dbraw/zinc/65/68/19/374656819.db2.gz VXYGLDIAGFGHTR-STQMWFEESA-N 1 0 282.388 -0.694 20 30 CBEDRO CC#CC[C@@H](CO)NC(=O)NCCOCC[NH+](C)C ZINC000645466532 374673322 /nfs/dbraw/zinc/67/33/22/374673322.db2.gz SVZLOGFCFRZHPR-LBPRGKRZSA-N 1 0 271.361 -0.362 20 30 CBEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646870567 374832686 /nfs/dbraw/zinc/83/26/86/374832686.db2.gz YOZIEMVHLSTXHQ-NWDGAFQWSA-N 1 0 254.330 -0.286 20 30 CBEDRO C=CCCOCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646802095 374817211 /nfs/dbraw/zinc/81/72/11/374817211.db2.gz CGVDRHCFGHHRSP-UHFFFAOYSA-N 1 0 280.332 -0.255 20 30 CBEDRO C=C[C@@H](O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000646874472 374832791 /nfs/dbraw/zinc/83/27/91/374832791.db2.gz LZUIULNFFBYTHV-NWDGAFQWSA-N 1 0 255.362 -0.467 20 30 CBEDRO C=C[C@@H](O)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000646959967 374851774 /nfs/dbraw/zinc/85/17/74/374851774.db2.gz NIEVNAMLVSTJIX-VXGBXAGGSA-N 1 0 255.362 -0.325 20 30 CBEDRO C[C@@H]1C[NH+]=C(NCCS(=O)(=O)N2CCSCC2)N1 ZINC000262680008 220254496 /nfs/dbraw/zinc/25/44/96/220254496.db2.gz VRYILONWOYBVJG-SECBINFHSA-N 1 0 292.430 -0.698 20 30 CBEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])N1CCSCC1 ZINC000262701251 220255236 /nfs/dbraw/zinc/25/52/36/220255236.db2.gz ATBUENPLSPLREJ-KOLCDFICSA-N 1 0 259.375 -0.110 20 30 CBEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCCN2S(C)(=O)=O)N1 ZINC000262645423 220255318 /nfs/dbraw/zinc/25/53/18/220255318.db2.gz IYROAJCVLJXOJV-NXEZZACHSA-N 1 0 274.390 -0.262 20 30 CBEDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cnn(C)c1C#N ZINC000347090532 218118164 /nfs/dbraw/zinc/11/81/64/218118164.db2.gz OJJWENPUZOJGJT-ZYHUDNBSSA-N 1 0 291.355 -0.181 20 30 CBEDRO C[C@H]1C[NH+]=C(NCCNS(=O)(=O)Cc2ccon2)N1 ZINC000262634220 220256169 /nfs/dbraw/zinc/25/61/69/220256169.db2.gz GHAHGQROJDVTTD-QMMMGPOBSA-N 1 0 287.345 -0.969 20 30 CBEDRO C=CCn1cc(CNC(=[NH2+])N2CCO[C@@H](C)C2)nn1 ZINC000263092205 220261308 /nfs/dbraw/zinc/26/13/08/220261308.db2.gz URNVNJVLTVSAKV-JTQLQIEISA-N 1 0 264.333 -0.001 20 30 CBEDRO CNC(=[NH2+])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000263282842 220259829 /nfs/dbraw/zinc/25/98/29/220259829.db2.gz SNSURWBTCGQKNS-JTQLQIEISA-N 1 0 288.359 -0.125 20 30 CBEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(=O)N2CCOCC2)C1 ZINC000263129833 220259835 /nfs/dbraw/zinc/25/98/35/220259835.db2.gz GKMJTJLMCGUIRK-LLVKDONJSA-N 1 0 268.361 -0.108 20 30 CBEDRO C[NH+]=C(NCc1nc(C)no1)N1CCN(C(C)=O)CC1 ZINC000263275743 220259849 /nfs/dbraw/zinc/25/98/49/220259849.db2.gz YJBPNUYEPMIMDY-UHFFFAOYSA-N 1 0 280.332 -0.382 20 30 CBEDRO C[NH+]=C(NCc1ccnn1C)N1CCN(C(C)=O)CC1 ZINC000263239660 220261080 /nfs/dbraw/zinc/26/10/80/220261080.db2.gz KRXZUPKRTLUXRB-UHFFFAOYSA-N 1 0 278.360 -0.340 20 30 CBEDRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])N(C)C1CC1 ZINC000263291977 220261128 /nfs/dbraw/zinc/26/11/28/220261128.db2.gz WPBKNLZNWWLPGZ-UHFFFAOYSA-N 1 0 277.394 -0.772 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)NCc1c(C)nn(C)c1C ZINC000262797003 220257526 /nfs/dbraw/zinc/25/75/26/220257526.db2.gz LWWPJUPBFDJKFX-UHFFFAOYSA-N 1 0 290.375 -0.006 20 30 CBEDRO C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@H]1CCC[C@H]1O ZINC000262807194 220257959 /nfs/dbraw/zinc/25/79/59/220257959.db2.gz TUSXDMVZUZKKJF-RTXFEEFZSA-N 1 0 295.387 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C=CCNC(=O)NC(=O)CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405213640 420225806 /nfs/dbraw/zinc/22/58/06/420225806.db2.gz MHKWJPUCMZKYGZ-GHMZBOCLSA-N 1 0 284.360 -0.706 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296268 420238872 /nfs/dbraw/zinc/23/88/72/420238872.db2.gz XEMZXZMUFHXSTI-DMDPSCGWSA-N 1 0 254.330 -0.409 20 30 CBEDRO C[NH+](C)C1(CNC(=O)CNc2ccc(C#N)cn2)CC1 ZINC000416309746 420239540 /nfs/dbraw/zinc/23/95/40/420239540.db2.gz XEMMKZCHPZEYLV-UHFFFAOYSA-N 1 0 273.340 0.576 20 30 CBEDRO C=CCCn1cc(CN(C)CC(=O)N2CC[NH2+]CC2)nn1 ZINC000655936251 420281994 /nfs/dbraw/zinc/28/19/94/420281994.db2.gz BSIWYJHAORCRHD-UHFFFAOYSA-N 1 0 292.387 -0.282 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC000491657007 420312531 /nfs/dbraw/zinc/31/25/31/420312531.db2.gz FPLRKXNKOKXOHQ-CQSZACIVSA-N 1 0 279.384 -0.125 20 30 CBEDRO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656077687 420297062 /nfs/dbraw/zinc/29/70/62/420297062.db2.gz 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/nfs/dbraw/zinc/17/59/66/583175966.db2.gz DRSHVGNKKCMOKT-SRVKXCTJSA-N 1 0 267.329 -0.545 20 30 CBEDRO C#C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881431 583176207 /nfs/dbraw/zinc/17/62/07/583176207.db2.gz QYSTVPMZYSWOHF-FRRDWIJNSA-N 1 0 280.372 -0.549 20 30 CBEDRO C=CCONC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000841912930 583176432 /nfs/dbraw/zinc/17/64/32/583176432.db2.gz FHAGOCKFROMVOA-GFCCVEGCSA-N 1 0 296.371 -0.043 20 30 CBEDRO C#Cc1cccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])c1 ZINC000842032737 583178949 /nfs/dbraw/zinc/17/89/49/583178949.db2.gz IRSGQBDWBHZYRM-NSHDSACASA-N 1 0 273.336 -0.005 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1CCCO1 ZINC000842161770 583179924 /nfs/dbraw/zinc/17/99/24/583179924.db2.gz CMRFBNLROFIIDI-WOPDTQHZSA-N 1 0 281.356 -0.617 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NCC([NH3+])(CC)CC)[C@H]1CCCO1 ZINC000842163590 583180271 /nfs/dbraw/zinc/18/02/71/583180271.db2.gz NDUCORXQMOIGIX-NWDGAFQWSA-N 1 0 295.383 -0.083 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000842162647 583180356 /nfs/dbraw/zinc/18/03/56/583180356.db2.gz IGRUSBLHBQYDPD-IJLUTSLNSA-N 1 0 279.340 -0.896 20 30 CBEDRO C#C[C@@H](NC(=O)C(=O)NCC[NH2+]CCC)[C@@H]1CCCO1 ZINC000842162702 583180392 /nfs/dbraw/zinc/18/03/92/583180392.db2.gz IOOXGTYXXHULMP-NEPJUHHUSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[C@@H]1CCCO1 ZINC000842164365 583180621 /nfs/dbraw/zinc/18/06/21/583180621.db2.gz VGUMIQYQJGBMGG-XQHKEYJVSA-N 1 0 293.367 -0.602 20 30 CBEDRO Cn1ncnc1C=NNC(=S)NCCC[NH+](C)C ZINC000842528922 583185709 /nfs/dbraw/zinc/18/57/09/583185709.db2.gz YLIKQUZUMGWING-UHFFFAOYSA-N 1 0 269.378 -0.435 20 30 CBEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000843104527 583201623 /nfs/dbraw/zinc/20/16/23/583201623.db2.gz JWMOUVSMXJSYQF-GHMZBOCLSA-N 1 0 272.345 -0.154 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000843258227 583204878 /nfs/dbraw/zinc/20/48/78/583204878.db2.gz BCRYYGVSTZTAEK-USZNOCQGSA-N 1 0 281.356 -0.475 20 30 CBEDRO CC(C)(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)n1cc([N+](=O)[O-])cn1 ZINC000843459469 583221613 /nfs/dbraw/zinc/22/16/13/583221613.db2.gz FJPVXRJLFITTQO-WPRPVWTQSA-N 1 0 292.299 -0.246 20 30 CBEDRO CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000843459277 583221664 /nfs/dbraw/zinc/22/16/64/583221664.db2.gz DKSLCUPEMPLICC-GVXVVHGQSA-N 1 0 264.329 -0.527 20 30 CBEDRO CC(C)(C)C(=O)NCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843459700 583221668 /nfs/dbraw/zinc/22/16/68/583221668.db2.gz GPGHRIQPAIIPES-VHSXEESVSA-N 1 0 266.345 -0.233 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn(C2CCC2)nn1 ZINC000843459990 583221743 /nfs/dbraw/zinc/22/17/43/583221743.db2.gz KBGHMSGCOMXNRU-PSASIEDQSA-N 1 0 260.301 -0.156 20 30 CBEDRO COc1ccccc1[C@H](N)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843460600 583221975 /nfs/dbraw/zinc/22/19/75/583221975.db2.gz HXJDMVVEIFDGMB-GAFUQQFSSA-N 1 0 274.324 -0.077 20 30 CBEDRO COC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000843460849 583222134 /nfs/dbraw/zinc/22/21/34/583222134.db2.gz RARPZHOBGNGOTL-ONGXEEELSA-N 1 0 274.280 -0.290 20 30 CBEDRO COC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000843460847 583222191 /nfs/dbraw/zinc/22/21/91/583222191.db2.gz RARPZHOBGNGOTL-MWLCHTKSSA-N 1 0 274.280 -0.290 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C(N)=O)cs1 ZINC000843461150 583222220 /nfs/dbraw/zinc/22/22/20/583222220.db2.gz KBECDPCLRPCWQG-SFYZADRCSA-N 1 0 264.310 -0.312 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000843462560 583222933 /nfs/dbraw/zinc/22/29/33/583222933.db2.gz RCGGBHJTVHWOHD-VXNVDRBHSA-N 1 0 264.245 -0.981 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn2ncccc12 ZINC000843461709 583222968 /nfs/dbraw/zinc/22/29/68/583222968.db2.gz WHRPWPITFFANMG-SCZZXKLOSA-N 1 0 256.269 -0.429 20 30 CBEDRO CS(=O)(=O)C1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC1 ZINC000843462538 583223061 /nfs/dbraw/zinc/22/30/61/583223061.db2.gz QWNGWDISQDBSBE-ZJUUUORDSA-N 1 0 285.369 -0.428 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(C(N)=O)cc1 ZINC000843461886 583223099 /nfs/dbraw/zinc/22/30/99/583223099.db2.gz NWGMXXVDPRMONL-QWRGUYRKSA-N 1 0 258.281 -0.373 20 30 CBEDRO CCNC(=O)NC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC1 ZINC000843463984 583223670 /nfs/dbraw/zinc/22/36/70/583223670.db2.gz YNWQQKWCNHLNCE-MNOVXSKESA-N 1 0 293.371 -0.154 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNC(=O)NC1CCCCC1 ZINC000843463161 583223678 /nfs/dbraw/zinc/22/36/78/583223678.db2.gz VBCAMIGVXDJUSV-PWSUYJOCSA-N 1 0 293.371 -0.154 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12CCC(=O)N1CCS2 ZINC000843463808 583223702 /nfs/dbraw/zinc/22/37/02/583223702.db2.gz YBSZAGMZSDLKNG-VDDIYKPWSA-N 1 0 280.353 -0.720 20 30 CBEDRO C=CCN(CC(=O)OCC)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000843486258 583227334 /nfs/dbraw/zinc/22/73/34/583227334.db2.gz CLOIFJFYVGEVSJ-ZDUSSCGKSA-N 1 0 299.371 -0.336 20 30 CBEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C#CC1CC1 ZINC000844041266 583245983 /nfs/dbraw/zinc/24/59/83/583245983.db2.gz XQIKIYZQTVMWRM-LLVKDONJSA-N 1 0 263.341 -0.022 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000844115154 583252272 /nfs/dbraw/zinc/25/22/72/583252272.db2.gz MWXCRNRNZRDLBM-MNOVXSKESA-N 1 0 270.329 -0.513 20 30 CBEDRO Cc1ccnc2nc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)nn21 ZINC000844193873 583260436 /nfs/dbraw/zinc/26/04/36/583260436.db2.gz MTEYCXJZPYDUBJ-RKDXNWHRSA-N 1 0 271.284 -0.726 20 30 CBEDRO Cc1c(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cnn1C ZINC000844194798 583260476 /nfs/dbraw/zinc/26/04/76/583260476.db2.gz MDOJPAZOSMAEMQ-VXGBXAGGSA-N 1 0 261.329 -0.111 20 30 CBEDRO Cc1ccnc2nc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)nn21 ZINC000844193870 583260639 /nfs/dbraw/zinc/26/06/39/583260639.db2.gz MTEYCXJZPYDUBJ-BDAKNGLRSA-N 1 0 271.284 -0.726 20 30 CBEDRO N#CCCNC(=O)CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844335875 583267830 /nfs/dbraw/zinc/26/78/30/583267830.db2.gz UJMTWFZKEMCYHW-UHFFFAOYSA-N 1 0 294.399 -0.157 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H]1CCCO1 ZINC000846327893 583359109 /nfs/dbraw/zinc/35/91/09/583359109.db2.gz FDRPOFDDRSLCGZ-NWDGAFQWSA-N 1 0 293.367 -0.471 20 30 CBEDRO Cc1nnnn1-c1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000846676804 583382523 /nfs/dbraw/zinc/38/25/23/583382523.db2.gz HLJYZAAKOABASR-YPMHNXCESA-N 1 0 297.322 -0.188 20 30 CBEDRO C#CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCCCN2C)C1=O ZINC000846702321 583385099 /nfs/dbraw/zinc/38/50/99/583385099.db2.gz MCPFVMCKEWWUSR-RYUDHWBXSA-N 1 0 263.341 -0.179 20 30 CBEDRO CON1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000846979057 583394974 /nfs/dbraw/zinc/39/49/74/583394974.db2.gz PUXKVQKZJUKUCK-UHFFFAOYSA-N 1 0 254.334 -0.072 20 30 CBEDRO C#CCNC(=O)CC[N@@H+](CCOC)C[C@@H](O)C(F)(F)F ZINC000847015273 583396577 /nfs/dbraw/zinc/39/65/77/583396577.db2.gz QNJDBFZXZFWRHE-SNVBAGLBSA-N 1 0 296.289 -0.003 20 30 CBEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000848129927 583429548 /nfs/dbraw/zinc/42/95/48/583429548.db2.gz CFCWENZDLZMLBZ-OPRDCNLKSA-N 1 0 255.318 -0.177 20 30 CBEDRO CC[NH+]1CCN(CC(=O)N[C@@H]2CCCN(O)C2=O)CC1 ZINC000848136195 583432390 /nfs/dbraw/zinc/43/23/90/583432390.db2.gz LJYAXNXFHBBBOH-LLVKDONJSA-N 1 0 284.360 -0.880 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NC[C@@](C)(CO)OC)CC1 ZINC000848263019 583438212 /nfs/dbraw/zinc/43/82/12/583438212.db2.gz OKGBXRYVGBQXRI-AWEZNQCLSA-N 1 0 268.357 -0.155 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(n1)OCCO2 ZINC000848417473 583445803 /nfs/dbraw/zinc/44/58/03/583445803.db2.gz ATPHIPBBUYUCLQ-PSASIEDQSA-N 1 0 274.280 -0.306 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848679076 583454916 /nfs/dbraw/zinc/45/49/16/583454916.db2.gz QZXKXVBECOXLFD-QWHCGFSZSA-N 1 0 296.371 -0.234 20 30 CBEDRO C[NH+]=C(NCC1(C(N)=O)CCOCC1)NC1CC1 ZINC000848993766 583465110 /nfs/dbraw/zinc/46/51/10/583465110.db2.gz KIUYLVNXWWMZGK-UHFFFAOYSA-N 1 0 254.334 -0.404 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)N(C)C ZINC000848996652 583465313 /nfs/dbraw/zinc/46/53/13/583465313.db2.gz NGMAJOYCIQVNHE-GFCCVEGCSA-N 1 0 271.409 -0.566 20 30 CBEDRO CCc1cc(CNC(NCCN2CCOCC2)=[NH+]C)[nH]n1 ZINC000849007769 583467504 /nfs/dbraw/zinc/46/75/04/583467504.db2.gz RIUXUNPSPQVWHM-UHFFFAOYSA-N 1 0 294.403 -0.031 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCc1nnc(C)s1 ZINC000849016595 583468281 /nfs/dbraw/zinc/46/82/81/583468281.db2.gz VZDPMNCHWICBBC-UHFFFAOYSA-N 1 0 298.416 -0.156 20 30 CBEDRO COCCOCCOCCCNC1=[NH+]C[C@H](C)N1 ZINC000849019707 583468506 /nfs/dbraw/zinc/46/85/06/583468506.db2.gz BJHMIFDLQYLXCP-NSHDSACASA-N 1 0 259.350 -0.007 20 30 CBEDRO C#CCOCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849017659 583468662 /nfs/dbraw/zinc/46/86/62/583468662.db2.gz AXPFJJJMZOLNML-UHFFFAOYSA-N 1 0 288.355 -0.227 20 30 CBEDRO CC[C@@H](CO)NC(NCCN1CCOCC1)=[NH+]C ZINC000849020658 583468894 /nfs/dbraw/zinc/46/88/94/583468894.db2.gz TZRCSDKVCYAUKZ-NSHDSACASA-N 1 0 258.366 -0.746 20 30 CBEDRO CN(C)C(=[NH+]CCCn1cc(CO)nn1)N(C)C ZINC000849029517 583469503 /nfs/dbraw/zinc/46/95/03/583469503.db2.gz ZBYZBUOGXZBSJT-UHFFFAOYSA-N 1 0 254.338 -0.360 20 30 CBEDRO CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)OC ZINC000849029825 583469906 /nfs/dbraw/zinc/46/99/06/583469906.db2.gz OYXJFTZKDVATQU-LBPRGKRZSA-N 1 0 272.393 -0.091 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)NCC1=CCOCC1 ZINC000849035821 583470229 /nfs/dbraw/zinc/47/02/29/583470229.db2.gz YLGMOXBCOUMLGP-UHFFFAOYSA-N 1 0 282.388 -0.170 20 30 CBEDRO CC[C@H](CNS(C)(=O)=O)NC(NC1CC1)=[NH+]C ZINC000849036106 583470243 /nfs/dbraw/zinc/47/02/43/583470243.db2.gz LOKPXMANVBJLAH-MRVPVSSYSA-N 1 0 262.379 -0.358 20 30 CBEDRO C[NH+]=C(NCCN1CCOCC1)N[C@@H](CO)CCF ZINC000849048875 583471955 /nfs/dbraw/zinc/47/19/55/583471955.db2.gz MIXFROWQHJQDCZ-LLVKDONJSA-N 1 0 276.356 -0.796 20 30 CBEDRO CNC(NCCS(=O)(=O)CC(F)(F)F)=[NH+]C ZINC000849214999 583474020 /nfs/dbraw/zinc/47/40/20/583474020.db2.gz IBRRLGAAVSQYIY-UHFFFAOYSA-N 1 0 261.269 -0.242 20 30 CBEDRO C#CCCN(CCOC)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000850711006 583504299 /nfs/dbraw/zinc/50/42/99/583504299.db2.gz MUWKFHDRXCDLTO-UHFFFAOYSA-N 1 0 297.399 -0.105 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccnc(OCCO)c1 ZINC000850767221 583504900 /nfs/dbraw/zinc/50/49/00/583504900.db2.gz FSIVCOYCDVKTPE-KOLCDFICSA-N 1 0 291.311 -0.314 20 30 CBEDRO C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000851680170 583520200 /nfs/dbraw/zinc/52/02/00/583520200.db2.gz IECPINVFCGDXAW-NSHDSACASA-N 1 0 280.372 -0.235 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1CCCO1 ZINC000851684536 583520827 /nfs/dbraw/zinc/52/08/27/583520827.db2.gz IOBNTJDDHJXOHY-WDEREUQCSA-N 1 0 267.329 -0.909 20 30 CBEDRO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000851685046 583521001 /nfs/dbraw/zinc/52/10/01/583521001.db2.gz LRAWQBRLKPIOSD-ZDUSSCGKSA-N 1 0 271.320 -0.238 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H]1CCCO1 ZINC000851685385 583521077 /nfs/dbraw/zinc/52/10/77/583521077.db2.gz SMJMCDSQNJJQOK-AGIUHOORSA-N 1 0 295.383 -0.227 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000851685676 583521428 /nfs/dbraw/zinc/52/14/28/583521428.db2.gz VMJPUICTWNIBJY-XWAURUHHSA-N 1 0 291.351 -0.848 20 30 CBEDRO C#CCOCCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000851726340 583523890 /nfs/dbraw/zinc/52/38/90/583523890.db2.gz OJEPDCOSYUTVIH-UHFFFAOYSA-N 1 0 253.346 -0.658 20 30 CBEDRO C#C[C@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)[C@H]1CCCO1 ZINC000851950829 583532073 /nfs/dbraw/zinc/53/20/73/583532073.db2.gz SFMAYSSAAMYPFL-RWMBFGLXSA-N 1 0 294.351 -0.079 20 30 CBEDRO C#CCOCC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000851992769 583533053 /nfs/dbraw/zinc/53/30/53/583533053.db2.gz PJZSPOKJZRVVOI-KBPBESRZSA-N 1 0 271.357 -0.018 20 30 CBEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000852099797 583537227 /nfs/dbraw/zinc/53/72/27/583537227.db2.gz QHPFIAGHSDVFMB-GWCFXTLKSA-N 1 0 253.346 -0.029 20 30 CBEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000852205097 583540690 /nfs/dbraw/zinc/54/06/90/583540690.db2.gz IQRZQHRAJBMKQH-HUUCEWRRSA-N 1 0 289.335 -0.290 20 30 CBEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000852205095 583540946 /nfs/dbraw/zinc/54/09/46/583540946.db2.gz IQRZQHRAJBMKQH-CABCVRRESA-N 1 0 289.335 -0.290 20 30 CBEDRO N#CC[C@]1(O)CC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C1 ZINC000852205096 583540976 /nfs/dbraw/zinc/54/09/76/583540976.db2.gz IQRZQHRAJBMKQH-GJZGRUSLSA-N 1 0 289.335 -0.290 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1COCCO1 ZINC000852360401 583543230 /nfs/dbraw/zinc/54/32/30/583543230.db2.gz YDRFOXNPLYTNDF-ZDUSSCGKSA-N 1 0 283.372 -0.002 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852444293 583547016 /nfs/dbraw/zinc/54/70/16/583547016.db2.gz UNYKUSJOLRTUEQ-NSHDSACASA-N 1 0 265.313 -0.348 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000852698111 583550491 /nfs/dbraw/zinc/55/04/91/583550491.db2.gz GHSMNHCGKVAGEB-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000852668741 583550579 /nfs/dbraw/zinc/55/05/79/583550579.db2.gz GPUGZOSFNJZILY-GJZGRUSLSA-N 1 0 291.395 -0.268 20 30 CBEDRO C=C[C@H](CO)[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C ZINC000852714436 583550776 /nfs/dbraw/zinc/55/07/76/583550776.db2.gz PKGLEVSNKVGMAZ-SNVBAGLBSA-N 1 0 293.385 -0.121 20 30 CBEDRO CC(C)NC(=O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852805221 583553827 /nfs/dbraw/zinc/55/38/27/583553827.db2.gz SNDMTCHLJKRBHJ-UHFFFAOYSA-N 1 0 251.330 -0.370 20 30 CBEDRO CCNC(=O)[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852805349 583553887 /nfs/dbraw/zinc/55/38/87/583553887.db2.gz XDHMQWXXXQYUIP-JTQLQIEISA-N 1 0 251.330 -0.370 20 30 CBEDRO CCN(CC(=O)NC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852812079 583554662 /nfs/dbraw/zinc/55/46/62/583554662.db2.gz NXFJYPXIFZZZJM-UHFFFAOYSA-N 1 0 251.330 -0.416 20 30 CBEDRO CN(CC(=O)N1CCOCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852814230 583555059 /nfs/dbraw/zinc/55/50/59/583555059.db2.gz SNUPTZGJFLHVIE-UHFFFAOYSA-N 1 0 293.367 -0.693 20 30 CBEDRO COCCCOCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827820 583557090 /nfs/dbraw/zinc/55/70/90/583557090.db2.gz QCDXTUQOTYCAJL-QWRGUYRKSA-N 1 0 255.318 -0.343 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000852828478 583557622 /nfs/dbraw/zinc/55/76/22/583557622.db2.gz YCOSHKJHNZHHPI-VEGXAWMVSA-N 1 0 290.367 -0.091 20 30 CBEDRO CS(=O)(=O)N[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852843185 583559645 /nfs/dbraw/zinc/55/96/45/583559645.db2.gz SBFCDGKZRRMYPG-LBPRGKRZSA-N 1 0 299.396 -0.861 20 30 CBEDRO CC1N=NC(=S)N1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852846318 583559971 /nfs/dbraw/zinc/55/99/71/583559971.db2.gz UWRBSNYAOSNLMI-UHFFFAOYSA-N 1 0 293.396 -0.006 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ncnc2[nH]ccc21 ZINC000852875905 583566196 /nfs/dbraw/zinc/56/61/96/583566196.db2.gz SQZQADLMHSBZAV-CBAPKCEASA-N 1 0 256.269 -0.249 20 30 CBEDRO CCOC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCOCC1 ZINC000852875929 583566230 /nfs/dbraw/zinc/56/62/30/583566230.db2.gz UAKLWKFVOJOTCH-MNOVXSKESA-N 1 0 267.329 -0.200 20 30 CBEDRO NC(=O)[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852882340 583567433 /nfs/dbraw/zinc/56/74/33/583567433.db2.gz DMSPFPOTTWPJBP-GFCCVEGCSA-N 1 0 263.341 -0.287 20 30 CBEDRO COC(=O)C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852883192 583567520 /nfs/dbraw/zinc/56/75/20/583567520.db2.gz CSHOMKBPVZWDJM-CYBMUJFWSA-N 1 0 294.351 -0.220 20 30 CBEDRO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852890237 583569758 /nfs/dbraw/zinc/56/97/58/583569758.db2.gz WXBPNGNFSRWBDG-JSGCOSHPSA-N 1 0 294.351 -0.486 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000852906818 583573316 /nfs/dbraw/zinc/57/33/16/583573316.db2.gz UCXJWKHCWVMCBR-OAHLLOKOSA-N 1 0 291.395 -0.078 20 30 CBEDRO C[C@@]1(C(N)=O)CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852913226 583573782 /nfs/dbraw/zinc/57/37/82/583573782.db2.gz OUDWZHLWAPLXMW-CQSZACIVSA-N 1 0 263.341 -0.287 20 30 CBEDRO C#CCOCCSc1nnnn1CC[NH+](C)C ZINC000853016529 583577050 /nfs/dbraw/zinc/57/70/50/583577050.db2.gz HMVXWUPWVGIHDS-UHFFFAOYSA-N 1 0 255.347 -0.023 20 30 CBEDRO C#C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C1CCOCC1 ZINC000853116349 583578123 /nfs/dbraw/zinc/57/81/23/583578123.db2.gz UBUBKSFPVIITJB-GJZGRUSLSA-N 1 0 282.384 -0.303 20 30 CBEDRO C[NH+](C)C[C@@H](CO)NC(=O)COc1cccc(C#N)c1 ZINC000854467239 583604431 /nfs/dbraw/zinc/60/44/31/583604431.db2.gz SGJFYUMHMCFAGS-LBPRGKRZSA-N 1 0 277.324 -0.024 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000854662961 583614764 /nfs/dbraw/zinc/61/47/64/583614764.db2.gz REQKDRBAINRWAQ-SNVBAGLBSA-N 1 0 252.318 -0.919 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)c1ccn2nnnc2c1 ZINC000854664555 583614846 /nfs/dbraw/zinc/61/48/46/583614846.db2.gz WPGCIRSRTBMRLO-UHFFFAOYSA-N 1 0 272.312 -0.191 20 30 CBEDRO C#C[C@H](CO)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000854770466 583620452 /nfs/dbraw/zinc/62/04/52/583620452.db2.gz IDEMDSLXTBIZRP-GFCCVEGCSA-N 1 0 253.346 -0.876 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855698124 583647642 /nfs/dbraw/zinc/64/76/42/583647642.db2.gz LDMJJLPHRQSBKQ-LBPRGKRZSA-N 1 0 283.372 -0.497 20 30 CBEDRO C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855698123 583647709 /nfs/dbraw/zinc/64/77/09/583647709.db2.gz LDMJJLPHRQSBKQ-GFCCVEGCSA-N 1 0 283.372 -0.497 20 30 CBEDRO C#C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CCOCC1 ZINC000856106743 583655819 /nfs/dbraw/zinc/65/58/19/583655819.db2.gz YTRXRATZAAJQLP-GJZGRUSLSA-N 1 0 291.395 -0.079 20 30 CBEDRO C#CCCN(CCOC)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000856389497 583658326 /nfs/dbraw/zinc/65/83/26/583658326.db2.gz SZJSFZYLDNSSHT-CQSZACIVSA-N 1 0 279.384 -0.125 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000856792045 583661118 /nfs/dbraw/zinc/66/11/18/583661118.db2.gz XMGONFBWXQEUFM-LSDHHAIUSA-N 1 0 293.411 -0.286 20 30 CBEDRO C[NH+]=C(NCCCn1cncn1)N1CCN(C(C)=O)CC1 ZINC000859002063 583706457 /nfs/dbraw/zinc/70/64/57/583706457.db2.gz JTBQHWHAFYYLHK-UHFFFAOYSA-N 1 0 293.375 -0.592 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000860202691 583741209 /nfs/dbraw/zinc/74/12/09/583741209.db2.gz QAQRRIBUNMWJCZ-CYBMUJFWSA-N 1 0 254.330 -0.137 20 30 CBEDRO C#C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CCCO1 ZINC000861616614 583772481 /nfs/dbraw/zinc/77/24/81/583772481.db2.gz BGTHLLKLYNGMMR-RYUDHWBXSA-N 1 0 269.345 -0.216 20 30 CBEDRO C#C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H]1CCCO1 ZINC000861618655 583772685 /nfs/dbraw/zinc/77/26/85/583772685.db2.gz TWCFXMFDIOTMMC-VXGBXAGGSA-N 1 0 281.356 -0.026 20 30 CBEDRO C#CCOCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000861618309 583772726 /nfs/dbraw/zinc/77/27/26/583772726.db2.gz RAWWMAKTHRBANL-UHFFFAOYSA-N 1 0 255.318 -0.557 20 30 CBEDRO N#CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861628250 583773071 /nfs/dbraw/zinc/77/30/71/583773071.db2.gz MHGZOGXLOAUPMY-UHFFFAOYSA-N 1 0 294.359 -0.748 20 30 CBEDRO C[NH2+]CCOCCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000861677603 583777033 /nfs/dbraw/zinc/77/70/33/583777033.db2.gz SZWHDCRVISFZPK-CYBMUJFWSA-N 1 0 295.387 -0.396 20 30 CBEDRO N#C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCN1C1CC1 ZINC000861681669 583777291 /nfs/dbraw/zinc/77/72/91/583777291.db2.gz KDDBRYUQUMLOBY-WCQYABFASA-N 1 0 293.371 -0.643 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861730478 583781950 /nfs/dbraw/zinc/78/19/50/583781950.db2.gz WXFCKTKAWPQHCH-TUAOUCFPSA-N 1 0 283.372 -0.111 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861730480 583781995 /nfs/dbraw/zinc/78/19/95/583781995.db2.gz WXFCKTKAWPQHCH-WOPDTQHZSA-N 1 0 283.372 -0.111 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000861743935 583783111 /nfs/dbraw/zinc/78/31/11/583783111.db2.gz RKJAYBCNBZPZBV-SNVBAGLBSA-N 1 0 274.324 -0.020 20 30 CBEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC)[C@H]1CCCO1 ZINC000861752284 583784207 /nfs/dbraw/zinc/78/42/07/583784207.db2.gz DNKYMBVHBZCJRH-WUHRBBMRSA-N 1 0 293.367 -0.460 20 30 CBEDRO C=CCOCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861786522 583786635 /nfs/dbraw/zinc/78/66/35/583786635.db2.gz KMORMAAQYKSJKF-JTQLQIEISA-N 1 0 257.334 -0.499 20 30 CBEDRO CON=CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214148 583803109 /nfs/dbraw/zinc/80/31/09/583803109.db2.gz HSBHUTGOSTWTDT-UHFFFAOYSA-N 1 0 255.318 -0.058 20 30 CBEDRO CON=CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862649186 583814045 /nfs/dbraw/zinc/81/40/45/583814045.db2.gz SOTRKGIMYHDTQR-VIFPVBQESA-N 1 0 256.306 -0.925 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000863580169 583847601 /nfs/dbraw/zinc/84/76/01/583847601.db2.gz DEGZCHJAVQECPI-NXEZZACHSA-N 1 0 258.343 -0.709 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COCc1cccnc1 ZINC000863584410 583847654 /nfs/dbraw/zinc/84/76/54/583847654.db2.gz BGNOTYIKNVCTFJ-NEPJUHHUSA-N 1 0 260.297 -0.174 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COCc1cccnc1 ZINC000863584413 583847716 /nfs/dbraw/zinc/84/77/16/583847716.db2.gz BGNOTYIKNVCTFJ-VXGBXAGGSA-N 1 0 260.297 -0.174 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)C(=O)N(C)OC)CC1 ZINC000863704490 583850610 /nfs/dbraw/zinc/85/06/10/583850610.db2.gz LWXWZZYJMXWPAO-LLVKDONJSA-N 1 0 281.356 -0.144 20 30 CBEDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000863773692 583855908 /nfs/dbraw/zinc/85/59/08/583855908.db2.gz FPTOOYNIUHUWSR-SKDRFNHKSA-N 1 0 252.318 -0.446 20 30 CBEDRO C#CCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000863772950 583855953 /nfs/dbraw/zinc/85/59/53/583855953.db2.gz IVGKOLXWINOVES-OKILXGFUSA-N 1 0 263.341 -0.464 20 30 CBEDRO COCCNC(NC[C@@H](O)C(F)(F)F)=[NH+]CCOC ZINC000864236544 583875895 /nfs/dbraw/zinc/87/58/95/583875895.db2.gz NPHJXRPXQUIVCA-MRVPVSSYSA-N 1 0 287.282 -0.262 20 30 CBEDRO CCNC(NC[C@@]12COC(=O)N1CCOC2)=[NH+]CC ZINC000864358184 583881004 /nfs/dbraw/zinc/88/10/04/583881004.db2.gz NTSPDMBJTRGHHG-GFCCVEGCSA-N 1 0 270.333 -0.217 20 30 CBEDRO CNC(NCCc1ccc(S(=O)(=O)NC)cc1)=[NH+]C ZINC000864358350 583881029 /nfs/dbraw/zinc/88/10/29/583881029.db2.gz 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CBEDRO [NH2+]=C(NCCc1ccccc1)NCC(=O)N1CCOCC1 ZINC000182725620 656092580 /nfs/dbraw/zinc/09/25/80/656092580.db2.gz KLAUXRONICOYHS-UHFFFAOYSA-N 1 0 290.367 -0.008 20 30 CBEDRO C#C[C@H](C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000186053787 656095678 /nfs/dbraw/zinc/09/56/78/656095678.db2.gz KCFJGPQBGZSTQQ-ZDUSSCGKSA-N 1 0 292.383 -0.042 20 30 CBEDRO CCS(=O)(=O)NCCNC(=[NH2+])NC1CCCC1 ZINC000261693586 656125813 /nfs/dbraw/zinc/12/58/13/656125813.db2.gz BOZZIYMFZOGOCF-UHFFFAOYSA-N 1 0 262.379 -0.227 20 30 CBEDRO CCCNC(=O)CNC(NCCN1CCOCC1)=[NH+]C ZINC000303792022 656139202 /nfs/dbraw/zinc/13/92/02/656139202.db2.gz YCKDOEIORGFKOI-UHFFFAOYSA-N 1 0 285.392 -0.990 20 30 CBEDRO CC(C)COC[C@@H](O)CNC(=[NH2+])N1CCOCC1 ZINC000303880098 656139281 /nfs/dbraw/zinc/13/92/81/656139281.db2.gz GYRUUOIFEUWWJI-NSHDSACASA-N 1 0 259.350 -0.333 20 30 CBEDRO CC(C)NC(=O)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303788165 656139469 /nfs/dbraw/zinc/13/94/69/656139469.db2.gz UABSUIGGAGEHKJ-UHFFFAOYSA-N 1 0 299.419 -0.472 20 30 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272.345 -0.300 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719079292 656234660 /nfs/dbraw/zinc/23/46/60/656234660.db2.gz SWZQUKFJPIGJJC-SNVBAGLBSA-N 1 0 283.328 -0.307 20 30 CBEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NCC(=O)OC)[C@H]1CCCO1 ZINC000775797115 656239421 /nfs/dbraw/zinc/23/94/21/656239421.db2.gz BWRYQZKBTUTNEF-OUAUKWLOSA-N 1 0 268.313 -0.566 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)n1 ZINC000877386691 656246689 /nfs/dbraw/zinc/24/66/89/656246689.db2.gz JWBWQSJICYGHLH-JOYOIKCWSA-N 1 0 260.301 -0.449 20 30 CBEDRO C=CCOC(=O)[C@@H](N)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426539 656253059 /nfs/dbraw/zinc/25/30/59/656253059.db2.gz OQNHRVVUUVZMJM-UHIISALHSA-N 1 0 281.356 -0.227 20 30 CBEDRO CCC[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC[NH2+]1 ZINC000895057275 656278413 /nfs/dbraw/zinc/27/84/13/656278413.db2.gz FUYDZBNTVLDMRB-SNVBAGLBSA-N 1 0 291.355 -0.466 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896559072 656289252 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COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000905022363 656334995 /nfs/dbraw/zinc/33/49/95/656334995.db2.gz QESXMWUVVBJNLB-SMDDNHRTSA-N 1 0 294.355 -0.805 20 30 CBEDRO C#CCSCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905139848 656340623 /nfs/dbraw/zinc/34/06/23/656340623.db2.gz YSHLKBUUTSYFJD-LLVKDONJSA-N 1 0 259.371 -0.155 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)NCCN2CCOCC2)CC1 ZINC000905145908 656340909 /nfs/dbraw/zinc/34/09/09/656340909.db2.gz RTCPHIMIHDSMFB-UHFFFAOYSA-N 1 0 294.399 -0.285 20 30 CBEDRO Cn1nc(C2CC2)nc1C(=O)NCC#CC[NH+](C)C ZINC000905152153 656341835 /nfs/dbraw/zinc/34/18/35/656341835.db2.gz VMSCUZSQGQOKRI-UHFFFAOYSA-N 1 0 261.329 -0.013 20 30 CBEDRO C#CCN(C)CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905276098 656347938 /nfs/dbraw/zinc/34/79/38/656347938.db2.gz VWPHYPVSRPFZEM-ZDUSSCGKSA-N 1 0 270.373 -0.567 20 30 CBEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905354681 656352417 /nfs/dbraw/zinc/35/24/17/656352417.db2.gz ORIFSNRQYCAOMX-RYUDHWBXSA-N 1 0 259.346 -0.195 20 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CRCKLZOKQZXBOD-QWHCGFSZSA-N 1 0 252.358 -0.051 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000905453839 656358201 /nfs/dbraw/zinc/35/82/01/656358201.db2.gz YDWXJFLHEIDNDT-ZIAGYGMSSA-N 1 0 294.399 -0.207 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000905458644 656358250 /nfs/dbraw/zinc/35/82/50/656358250.db2.gz BGYUFEGAKYDBHX-MGPQQGTHSA-N 1 0 285.388 -0.288 20 30 CBEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC000905459932 656358396 /nfs/dbraw/zinc/35/83/96/656358396.db2.gz ITMAURCAVKYTLE-ZIAGYGMSSA-N 1 0 282.384 -0.424 20 30 CBEDRO CN(CCO)CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000905488600 656359530 /nfs/dbraw/zinc/35/95/30/656359530.db2.gz FDUMBICVNZBYBL-CQSZACIVSA-N 1 0 293.367 -0.188 20 30 CBEDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CCN1C ZINC000905543169 656361270 /nfs/dbraw/zinc/36/12/70/656361270.db2.gz NCJOLBFCWVOANY-JHJVBQTASA-N 1 0 254.378 -0.125 20 30 CBEDRO CC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905549754 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C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(CC)on1 ZINC001148337745 814940117 /nfs/dbraw/zinc/94/01/17/814940117.db2.gz XOXCKZVFBHRJJL-UHFFFAOYSA-N 1 0 280.328 -0.141 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)nc1 ZINC001148377530 814941361 /nfs/dbraw/zinc/94/13/61/814941361.db2.gz YWHAFUVVGLAJRN-CYBMUJFWSA-N 1 0 286.335 -0.387 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)nc1 ZINC001148377493 814941429 /nfs/dbraw/zinc/94/14/29/814941429.db2.gz XTKHDZJWQQRQNY-LLVKDONJSA-N 1 0 288.351 -0.141 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CCOCCO)cn1 ZINC001148382955 814941724 /nfs/dbraw/zinc/94/17/24/814941724.db2.gz LQYCKLDBNQJBJO-UHFFFAOYSA-N 1 0 277.324 -0.609 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@H]2CCNC2=O)nc1 ZINC001148370147 814941792 /nfs/dbraw/zinc/94/17/92/814941792.db2.gz KMIWVYIEBDVXKS-LBPRGKRZSA-N 1 0 272.308 -0.729 20 30 CBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)n1cccc1 ZINC001148390025 814942338 /nfs/dbraw/zinc/94/23/38/814942338.db2.gz ZYCXDCTYHOESGO-GFCCVEGCSA-N 1 0 291.355 -0.215 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cccc1 ZINC001148395278 814942786 /nfs/dbraw/zinc/94/27/86/814942786.db2.gz CSUVZLFXMRCWJA-ZDUSSCGKSA-N 1 0 290.367 -0.106 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ncccc1Cl ZINC001148497558 814946975 /nfs/dbraw/zinc/94/69/75/814946975.db2.gz NLFIKMCUGGUXKI-UHFFFAOYSA-N 1 0 294.742 -0.196 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148470107 814947154 /nfs/dbraw/zinc/94/71/54/814947154.db2.gz AEAOJOLCRDWBBK-GFCCVEGCSA-N 1 0 253.346 -0.124 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cl)cn1 ZINC001148518813 814947324 /nfs/dbraw/zinc/94/73/24/814947324.db2.gz KNOTXYXCBJXYAQ-UHFFFAOYSA-N 1 0 295.730 -0.306 20 30 CBEDRO C=CC[NH2+]CCNC(=O)Cn1nc(C)ccc1=O ZINC001148564325 814949321 /nfs/dbraw/zinc/94/93/21/814949321.db2.gz PPZHEAHMCCKCTB-UHFFFAOYSA-N 1 0 250.302 -0.556 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CSCC#N ZINC001321464702 803770123 /nfs/dbraw/zinc/77/01/23/803770123.db2.gz TZUPHSSXQBZFGS-SNVBAGLBSA-N 1 0 282.369 -0.913 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC(C)(C)O ZINC001321500060 803775327 /nfs/dbraw/zinc/77/53/27/803775327.db2.gz NGJKBFXKQVKZAG-MNOVXSKESA-N 1 0 285.388 -0.068 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](O)C(C)C)C1=O ZINC001321500308 803775684 /nfs/dbraw/zinc/77/56/84/803775684.db2.gz RARFCWQHUZSUCO-JHJVBQTASA-N 1 0 297.399 -0.116 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001321499350 803775948 /nfs/dbraw/zinc/77/59/48/803775948.db2.gz CTGUUHVFWAHLCG-BXUZGUMPSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001321522692 803780110 /nfs/dbraw/zinc/78/01/10/803780110.db2.gz AQSFSPGSPYLHPO-GHMZBOCLSA-N 1 0 291.417 -0.015 20 30 CBEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(=O)COC)C1 ZINC001149014193 814965156 /nfs/dbraw/zinc/96/51/56/814965156.db2.gz QZZFUUCSJWOGFY-GFCCVEGCSA-N 1 0 254.330 -0.137 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001321543349 803781802 /nfs/dbraw/zinc/78/18/02/803781802.db2.gz MAXLFQJKLFAEMF-SNVBAGLBSA-N 1 0 255.318 -0.875 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001321568473 803786060 /nfs/dbraw/zinc/78/60/60/803786060.db2.gz YGJIABYRPDEVBN-SNVBAGLBSA-N 1 0 252.318 -0.871 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001321597814 803788293 /nfs/dbraw/zinc/78/82/93/803788293.db2.gz HOAPGINZEUKTRJ-VXGBXAGGSA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001321652181 803797043 /nfs/dbraw/zinc/79/70/43/803797043.db2.gz DUBMFMXNAYXATN-GHMZBOCLSA-N 1 0 276.344 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001321654583 803797931 /nfs/dbraw/zinc/79/79/31/803797931.db2.gz MZYNDXQYBAXSOQ-SNVBAGLBSA-N 1 0 276.340 -0.308 20 30 CBEDRO COC(=O)NCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001321666731 803799211 /nfs/dbraw/zinc/79/92/11/803799211.db2.gz HXUIVHJTPDNCLK-UHFFFAOYSA-N 1 0 268.317 -0.163 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001321709437 803803758 /nfs/dbraw/zinc/80/37/58/803803758.db2.gz CJKYMLMPBKXVCL-ZJUUUORDSA-N 1 0 268.361 -0.203 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149129488 814971416 /nfs/dbraw/zinc/97/14/16/814971416.db2.gz DOYYNJJFXLEUSI-UHFFFAOYSA-N 1 0 279.344 -0.731 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1=COCCO1 ZINC001321780593 803813435 /nfs/dbraw/zinc/81/34/35/803813435.db2.gz XWBRNYIKWSNRBN-WDEREUQCSA-N 1 0 297.355 -0.340 20 30 CBEDRO Cc1nnsc1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001321789845 803815246 /nfs/dbraw/zinc/81/52/46/803815246.db2.gz QQTBDTMBHCBTCC-ZETCQYMHSA-N 1 0 296.356 -0.806 20 30 CBEDRO Cc1nc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)co1 ZINC001321832213 803823909 /nfs/dbraw/zinc/82/39/09/803823909.db2.gz XNVLSAPPLLKUPI-QMMMGPOBSA-N 1 0 279.300 -0.669 20 30 CBEDRO CC(C)C#CC(=O)N[C@@H](C)C[NH2+]CCOCCO ZINC001321843021 803825738 /nfs/dbraw/zinc/82/57/38/803825738.db2.gz JJENFGDCUHVSJF-LBPRGKRZSA-N 1 0 256.346 -0.251 20 30 CBEDRO C=CCOCC[NH2+]C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001321843552 803825782 /nfs/dbraw/zinc/82/57/82/803825782.db2.gz VRQKNKGSVRHUET-JTQLQIEISA-N 1 0 267.333 -0.274 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001149103942 814969349 /nfs/dbraw/zinc/96/93/49/814969349.db2.gz LHSFKINHJZLXHC-LBPRGKRZSA-N 1 0 287.385 -0.813 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001321886241 803833484 /nfs/dbraw/zinc/83/34/84/803833484.db2.gz KRTIJIQXAKHJIC-WDEREUQCSA-N 1 0 296.371 -0.948 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001321917112 803838064 /nfs/dbraw/zinc/83/80/64/803838064.db2.gz ZNSRDNWJQCJDRU-WCQYABFASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001321938179 803841041 /nfs/dbraw/zinc/84/10/41/803841041.db2.gz WHMQJCXUZPAIOA-CMPLNLGQSA-N 1 0 264.329 -0.165 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[C@H]1CCOC1 ZINC001321978079 803846692 /nfs/dbraw/zinc/84/66/92/803846692.db2.gz KUXRVXLBUOFKBA-RWMBFGLXSA-N 1 0 295.383 -0.355 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001321977571 803846988 /nfs/dbraw/zinc/84/69/88/803846988.db2.gz GMEHFBKJLQYXFI-ZANVPECISA-N 1 0 284.360 -0.122 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CCN1CCOCC1 ZINC001322023427 803852453 /nfs/dbraw/zinc/85/24/53/803852453.db2.gz ILHFLKRDQXHGES-ZDUSSCGKSA-N 1 0 267.373 -0.174 20 30 CBEDRO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001322120750 803863307 /nfs/dbraw/zinc/86/33/07/803863307.db2.gz DNZCVYYMQORBNH-LLVKDONJSA-N 1 0 291.355 -0.137 20 30 CBEDRO C[C@H](C[N@H+](C)CCOCCO)NC(=O)[C@H](C)C#N ZINC001322130791 803863340 /nfs/dbraw/zinc/86/33/40/803863340.db2.gz SERWYHZBYGKASV-GHMZBOCLSA-N 1 0 257.334 -0.409 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001322145407 803867405 /nfs/dbraw/zinc/86/74/05/803867405.db2.gz QMCJKZZGZODSNB-VXGBXAGGSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149137476 814972465 /nfs/dbraw/zinc/97/24/65/814972465.db2.gz PLSBVDVRSNFEAV-NSHDSACASA-N 1 0 284.360 -0.562 20 30 CBEDRO CC[C@H](C(=O)N[C@H](C)CN(C)CC(=O)NCC#N)[NH+](C)C ZINC001322181949 803872551 /nfs/dbraw/zinc/87/25/51/803872551.db2.gz BTGLQNXMZZYAAD-VXGBXAGGSA-N 1 0 297.403 -0.597 20 30 CBEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001322229208 803876342 /nfs/dbraw/zinc/87/63/42/803876342.db2.gz BDEHQYGPTVTDNW-NEPJUHHUSA-N 1 0 296.371 -0.416 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)COCc1nncn1C ZINC001322275501 803883436 /nfs/dbraw/zinc/88/34/36/803883436.db2.gz YZWPNYSLTOYQJF-NSHDSACASA-N 1 0 281.360 -0.046 20 30 CBEDRO CC#CC[N@H+](C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001322285007 803883533 /nfs/dbraw/zinc/88/35/33/803883533.db2.gz IHVKUFHKBJVBBX-NSHDSACASA-N 1 0 293.371 -0.650 20 30 CBEDRO CC#CC[N@H+](C)C[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001322291466 803884906 /nfs/dbraw/zinc/88/49/06/803884906.db2.gz BDLAIKYPGITKQF-LLVKDONJSA-N 1 0 294.355 -0.660 20 30 CBEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001322308295 803887086 /nfs/dbraw/zinc/88/70/86/803887086.db2.gz WJLWHYPHMJKRSZ-LLVKDONJSA-N 1 0 278.356 -0.203 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001322355195 803890137 /nfs/dbraw/zinc/89/01/37/803890137.db2.gz WJJBWXYAEKGKKW-NWDGAFQWSA-N 1 0 281.356 -0.614 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CNS(=O)(=O)CCCC ZINC001149181710 814974265 /nfs/dbraw/zinc/97/42/65/814974265.db2.gz OSIMTCYCOQDBDT-UHFFFAOYSA-N 1 0 289.401 -0.565 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CNS(=O)(=O)CCCC ZINC001149173573 814974331 /nfs/dbraw/zinc/97/43/31/814974331.db2.gz TYDOEWHFNXTZKO-UHFFFAOYSA-N 1 0 289.401 -0.565 20 30 CBEDRO C[C@@H]([NH2+]CCCN(C)C(=O)C#CC1CC1)C(=O)NC(N)=O ZINC001322503597 803904590 /nfs/dbraw/zinc/90/45/90/803904590.db2.gz XAHMROSRBSPEIZ-SNVBAGLBSA-N 1 0 294.355 -0.579 20 30 CBEDRO COCC#CC[NH2+]CCCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001322683948 803928030 /nfs/dbraw/zinc/92/80/30/803928030.db2.gz WUJNFQURYRHVKO-HNNXBMFYSA-N 1 0 295.383 -0.257 20 30 CBEDRO C[C@@H]1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CC[N@@H+]1C ZINC001322701701 803929271 /nfs/dbraw/zinc/92/92/71/803929271.db2.gz YTUCVSHRUVZFEI-ZJUUUORDSA-N 1 0 262.317 -0.251 20 30 CBEDRO C=CCn1cc(C(=O)N(C)CCC[NH2+]CCO)nn1 ZINC001322726803 803932395 /nfs/dbraw/zinc/93/23/95/803932395.db2.gz XQKDOXUVLILHQK-UHFFFAOYSA-N 1 0 267.333 -0.492 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001322750132 803933003 /nfs/dbraw/zinc/93/30/03/803933003.db2.gz LGIQKHQPMSZTAJ-UTUOFQBUSA-N 1 0 283.372 -0.098 20 30 CBEDRO Cc1cnoc1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001322770373 803936141 /nfs/dbraw/zinc/93/61/41/803936141.db2.gz SRSXQNZZZVUATC-UHFFFAOYSA-N 1 0 293.327 -0.326 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001322831331 803945498 /nfs/dbraw/zinc/94/54/98/803945498.db2.gz JOAFTPBMRLVEAV-UHFFFAOYSA-N 1 0 278.312 -0.829 20 30 CBEDRO 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20 30 CBEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001116950493 812345591 /nfs/dbraw/zinc/34/55/91/812345591.db2.gz ZYXNALJOXCJODV-LBPRGKRZSA-N 1 0 254.330 -0.545 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001116969913 812350450 /nfs/dbraw/zinc/35/04/50/812350450.db2.gz GNEDJJCPGKDZAN-XQQFMLRXSA-N 1 0 295.383 -0.001 20 30 CBEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001117114277 812367470 /nfs/dbraw/zinc/36/74/70/812367470.db2.gz LWTWJHXDAOWWGV-NEPJUHHUSA-N 1 0 296.371 -0.416 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001158337443 815522102 /nfs/dbraw/zinc/52/21/02/815522102.db2.gz NRHBRNMCWWPFLQ-UHFFFAOYSA-N 1 0 280.332 -0.951 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001117395353 812397051 /nfs/dbraw/zinc/39/70/51/812397051.db2.gz JYDIHTDBZCOESS-CHWSQXEVSA-N 1 0 295.383 -0.449 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC001117581212 812419936 /nfs/dbraw/zinc/41/99/36/812419936.db2.gz 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[NH3+][C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118284128 812519964 /nfs/dbraw/zinc/51/99/64/812519964.db2.gz JGBKOCRUJAEWMI-WBNXYMAISA-N 1 0 292.339 -0.147 20 30 CBEDRO C[C@H](C[NH3+])NC(=O)C(=O)N1Cc2cccc(C#N)c2C1 ZINC001118328512 812530450 /nfs/dbraw/zinc/53/04/50/812530450.db2.gz KYDHBLFANHFPGI-SECBINFHSA-N 1 0 272.308 -0.136 20 30 CBEDRO N#Cc1ncn(CC(=O)N[C@@H](CC[NH3+])C(F)F)n1 ZINC001118336502 812533130 /nfs/dbraw/zinc/53/31/30/812533130.db2.gz AGIIOZMNTANRCQ-LURJTMIESA-N 1 0 258.232 -0.752 20 30 CBEDRO N#CCNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485815 815535007 /nfs/dbraw/zinc/53/50/07/815535007.db2.gz AHZQDQUCFBHYPI-VXGBXAGGSA-N 1 0 266.345 -0.531 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@]12C[C@H]1COC2 ZINC001158492365 815535230 /nfs/dbraw/zinc/53/52/30/815535230.db2.gz FDBPQWXVFBBSJL-HUBLWGQQSA-N 1 0 293.367 -0.743 20 30 CBEDRO C[C@H]1C[NH+]=C(NCCCCn2cc(C(N)=O)nn2)N1 ZINC001118412174 812545201 /nfs/dbraw/zinc/54/52/01/812545201.db2.gz 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/nfs/dbraw/zinc/57/25/92/812572592.db2.gz VDTLYBXCTNONPI-UHFFFAOYSA-N 1 0 281.381 -0.581 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C)CC1 ZINC001158534733 815537520 /nfs/dbraw/zinc/53/75/20/815537520.db2.gz KAEMNOHGLGHKLM-UHFFFAOYSA-N 1 0 296.371 -0.106 20 30 CBEDRO C=CCN(C(=O)C(=O)NCC12CC(C1)C[NH2+]2)[C@@H](C)COC ZINC001118553712 812575076 /nfs/dbraw/zinc/57/50/76/812575076.db2.gz KECHMCZRBMBKOB-BZUNDVKYSA-N 1 0 295.383 -0.096 20 30 CBEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnc2n1CCOC2 ZINC001118569867 812578930 /nfs/dbraw/zinc/57/89/30/812578930.db2.gz PZUBVJRUHWFJEI-DTWKUNHWSA-N 1 0 261.285 -0.745 20 30 CBEDRO COCC#CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001118768099 812621873 /nfs/dbraw/zinc/62/18/73/812621873.db2.gz MXYBAECPFJVLOI-GFCCVEGCSA-N 1 0 254.330 -0.401 20 30 CBEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001118826973 812634781 /nfs/dbraw/zinc/63/47/81/812634781.db2.gz HGGBPRWUSZQSSP-GYSYKLTISA-N 1 0 292.339 -0.923 20 30 CBEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC001118826976 812634796 /nfs/dbraw/zinc/63/47/96/812634796.db2.gz HGGBPRWUSZQSSP-WDMOLILDSA-N 1 0 292.339 -0.923 20 30 CBEDRO C[C@H]([NH3+])CN(C)C(=O)NCCn1cnc(C#N)n1 ZINC001118862160 812644201 /nfs/dbraw/zinc/64/42/01/812644201.db2.gz JTTXYAZEDIXYGJ-QMMMGPOBSA-N 1 0 251.294 -0.862 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC001118866327 812646021 /nfs/dbraw/zinc/64/60/21/812646021.db2.gz ACSBRJBBFJFAKA-GFCCVEGCSA-N 1 0 281.356 -0.791 20 30 CBEDRO C=CCN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)COC ZINC001118873012 812649982 /nfs/dbraw/zinc/64/99/82/812649982.db2.gz ZJMBTSIAPPYNAM-GRYCIOLGSA-N 1 0 283.372 -0.098 20 30 CBEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001118897518 812656439 /nfs/dbraw/zinc/65/64/39/812656439.db2.gz OPSMNEOKPFVMIW-NWDGAFQWSA-N 1 0 252.314 -0.359 20 30 CBEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C#N)CC1 ZINC001118902293 812656645 /nfs/dbraw/zinc/65/66/45/812656645.db2.gz JXGPHANGPJYVSQ-UHFFFAOYSA-N 1 0 282.344 -0.818 20 30 CBEDRO CC#CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001118932362 812668710 /nfs/dbraw/zinc/66/87/10/812668710.db2.gz MZWUYINFMMWUEI-WDEREUQCSA-N 1 0 251.330 -0.227 20 30 CBEDRO N#CCC1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001118932630 812668991 /nfs/dbraw/zinc/66/89/91/812668991.db2.gz QSDJUHOKSRFFHN-UHFFFAOYSA-N 1 0 296.371 -0.380 20 30 CBEDRO C=C[C@H](O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119108595 812713984 /nfs/dbraw/zinc/71/39/84/812713984.db2.gz INXYYEUKLZJAPK-ZDUSSCGKSA-N 1 0 267.373 -0.228 20 30 CBEDRO C=C[C@H](COC)NC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001119156632 812719816 /nfs/dbraw/zinc/71/98/16/812719816.db2.gz QVEMJIUTBBUFQV-JHJVBQTASA-N 1 0 295.383 -0.144 20 30 CBEDRO CO[C@H](C[NH2+]CCn1cnc(C#N)n1)[C@@H]1CCOC1 ZINC001119245847 812732063 /nfs/dbraw/zinc/73/20/63/812732063.db2.gz VVATYXVIDSVXDS-GHMZBOCLSA-N 1 0 265.317 -0.209 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn2c(n1)COCC2 ZINC001119295947 812745870 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C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001119545017 812804068 /nfs/dbraw/zinc/80/40/68/812804068.db2.gz KOZAVJZHWVZUQZ-ZJUUUORDSA-N 1 0 252.318 -0.446 20 30 CBEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001119544618 812804734 /nfs/dbraw/zinc/80/47/34/812804734.db2.gz DYQGUEHBPJLSNL-JTQLQIEISA-N 1 0 252.318 -0.574 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N1Cc2cn(C)nc2[C@H](COC)C1 ZINC001159019478 815554928 /nfs/dbraw/zinc/55/49/28/815554928.db2.gz QBZRYVHIZAZCFH-FZMZJTMJSA-N 1 0 276.340 -0.157 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001119596816 812826302 /nfs/dbraw/zinc/82/63/02/812826302.db2.gz WXQYNNJIASASCK-LBPRGKRZSA-N 1 0 275.356 -0.088 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001119636440 812845532 /nfs/dbraw/zinc/84/55/32/812845532.db2.gz PIAKRCPVBRHFRI-RYUDHWBXSA-N 1 0 265.357 -0.089 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)C[C@H]1[NH3+] ZINC001119635674 812846480 /nfs/dbraw/zinc/84/64/80/812846480.db2.gz 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ZINC001122734100 813187649 /nfs/dbraw/zinc/18/76/49/813187649.db2.gz BQXRKWQVXMHSDA-ONEGZZNKSA-N 1 0 276.296 -0.362 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccco1 ZINC001122705662 813188038 /nfs/dbraw/zinc/18/80/38/813188038.db2.gz UBELFOYSXUOWSE-UHFFFAOYSA-N 1 0 250.258 -0.761 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123186870 813222945 /nfs/dbraw/zinc/22/29/45/813222945.db2.gz OXIFEYPOOPRPPJ-UHFFFAOYSA-N 1 0 266.301 -0.395 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C)on1 ZINC001123223196 813224565 /nfs/dbraw/zinc/22/45/65/813224565.db2.gz DFEXYIYDUZNEHG-SNVBAGLBSA-N 1 0 278.312 -0.560 20 30 CBEDRO C#CC[NH+]1CCC(OC(=O)CN2CCOCC2)CC1 ZINC001123250040 813226171 /nfs/dbraw/zinc/22/61/71/813226171.db2.gz FZNWOMXASILGDX-UHFFFAOYSA-N 1 0 266.341 -0.041 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccoc1C ZINC001123281142 813228120 /nfs/dbraw/zinc/22/81/20/813228120.db2.gz CXBAITASVIBMTD-UHFFFAOYSA-N 1 0 263.297 -0.343 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccsc1 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C=CCOCC(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001124764706 813476007 /nfs/dbraw/zinc/47/60/07/813476007.db2.gz AFGDTCMVSUFUKF-UHFFFAOYSA-N 1 0 287.360 -0.953 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001124764860 813476252 /nfs/dbraw/zinc/47/62/52/813476252.db2.gz DJWZXOOJUVODKW-UHFFFAOYSA-N 1 0 271.361 -0.238 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001124764955 813476965 /nfs/dbraw/zinc/47/69/65/813476965.db2.gz GJZHWZAYDIUTGS-UHFFFAOYSA-N 1 0 283.372 -0.237 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001124767365 813477669 /nfs/dbraw/zinc/47/76/69/813477669.db2.gz DRYMYOPJDXGYJK-UHFFFAOYSA-N 1 0 269.345 -0.579 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001124765142 813477715 /nfs/dbraw/zinc/47/77/15/813477715.db2.gz MPGOLJWKWFQUFR-UHFFFAOYSA-N 1 0 296.327 -0.170 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001124773681 813478118 /nfs/dbraw/zinc/47/81/18/813478118.db2.gz VCEZTJZOLRRSLI-CYBMUJFWSA-N 1 0 288.388 -0.072 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)COC ZINC001124765095 813478153 /nfs/dbraw/zinc/47/81/53/813478153.db2.gz LCJVDBUIJVHXQV-MNOVXSKESA-N 1 0 271.361 -0.335 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001124773835 813478187 /nfs/dbraw/zinc/47/81/87/813478187.db2.gz XYYWCBIHTNQVTI-LLVKDONJSA-N 1 0 283.372 -0.191 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+][C@@H](CCCC)C(N)=O ZINC001124773875 813478315 /nfs/dbraw/zinc/47/83/15/813478315.db2.gz ZPTIDADOSQPOBL-NSHDSACASA-N 1 0 271.361 -0.061 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001124767255 813478759 /nfs/dbraw/zinc/47/87/59/813478759.db2.gz AMTUOIRGLGAPBW-GFCCVEGCSA-N 1 0 299.371 -0.858 20 30 CBEDRO C=CCOCC(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001124787553 813480708 /nfs/dbraw/zinc/48/07/08/813480708.db2.gz DNCKMVNGEAYTRB-UHFFFAOYSA-N 1 0 283.372 -0.093 20 30 CBEDRO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001190509545 823817998 /nfs/dbraw/zinc/81/79/98/823817998.db2.gz LKDNLWRWLYKBOV-NSHDSACASA-N 1 0 266.345 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/nfs/dbraw/zinc/50/20/91/813502091.db2.gz YCBCFLSJFXSVCB-IUCAKERBSA-N 1 0 252.318 -0.481 20 30 CBEDRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124908969 813502189 /nfs/dbraw/zinc/50/21/89/813502189.db2.gz WZWDIDJACKWINA-LBPRGKRZSA-N 1 0 298.387 -0.217 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC001124908744 813502251 /nfs/dbraw/zinc/50/22/51/813502251.db2.gz QRTGABHBNXRNJF-YUMQZZPRSA-N 1 0 294.277 -0.081 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(F)nc1 ZINC001124930361 813503524 /nfs/dbraw/zinc/50/35/24/813503524.db2.gz HQOCHSIYSDCDFA-SNVBAGLBSA-N 1 0 292.314 -0.322 20 30 CBEDRO CCC[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001124941405 813505460 /nfs/dbraw/zinc/50/54/60/813505460.db2.gz IDKICBPLXIFQHX-SNVBAGLBSA-N 1 0 254.334 -0.232 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cn(C)nc1C ZINC001124980218 813506770 /nfs/dbraw/zinc/50/67/70/813506770.db2.gz CMRFPHVHXHHDSG-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(=O)C(C)(C)C ZINC001124972751 813507410 /nfs/dbraw/zinc/50/74/10/813507410.db2.gz YKTJQIXAHZKKLS-SNVBAGLBSA-N 1 0 281.356 -0.555 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cc(C)on1 ZINC001125005457 813508890 /nfs/dbraw/zinc/50/88/90/813508890.db2.gz DUVYAIOIVIYPJC-LLVKDONJSA-N 1 0 292.339 -0.631 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC)c1 ZINC001125011523 813510238 /nfs/dbraw/zinc/51/02/38/813510238.db2.gz UWDRQYNFGGEEFM-UHFFFAOYSA-N 1 0 279.344 -0.475 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC)c1 ZINC001125020306 813510404 /nfs/dbraw/zinc/51/04/04/813510404.db2.gz UJEJNVUKWQGDGL-NSHDSACASA-N 1 0 293.371 -0.087 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1ccon1 ZINC001125098254 813519950 /nfs/dbraw/zinc/51/99/50/813519950.db2.gz FSBSTDNNDJGSHJ-JTQLQIEISA-N 1 0 280.328 -0.386 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125185358 813529552 /nfs/dbraw/zinc/52/95/52/813529552.db2.gz YPPUZMKPWVDLIO-VIFPVBQESA-N 1 0 294.359 -0.866 20 30 CBEDRO Cc1cncc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001125190304 813529922 /nfs/dbraw/zinc/52/99/22/813529922.db2.gz HVMUNGGCYFTJKP-UHFFFAOYSA-N 1 0 275.312 -0.651 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125226596 813537559 /nfs/dbraw/zinc/53/75/59/813537559.db2.gz DGTKLQSRXJBUJY-GFCCVEGCSA-N 1 0 255.362 -0.011 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+]CCOCCO ZINC001125252519 813540331 /nfs/dbraw/zinc/54/03/31/813540331.db2.gz GZEUSYHNJMYCCS-UHFFFAOYSA-N 1 0 274.361 -0.316 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)/C=C\C1CC1 ZINC001125260996 813540547 /nfs/dbraw/zinc/54/05/47/813540547.db2.gz RYARUIINIVMNSL-WAYWQWQTSA-N 1 0 251.330 -0.039 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125296135 813542233 /nfs/dbraw/zinc/54/22/33/813542233.db2.gz HRKUVKQVSXRYKU-UHFFFAOYSA-N 1 0 263.297 -0.244 20 30 CBEDRO COC[C@@H](O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125391109 813547768 /nfs/dbraw/zinc/54/77/68/813547768.db2.gz SZIRLQAGPJVMLF-JTQLQIEISA-N 1 0 266.301 -0.787 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1CC(F)(F)C1 ZINC001125489477 813556008 /nfs/dbraw/zinc/55/60/08/813556008.db2.gz RKNSKKUXYRWKMC-UHFFFAOYSA-N 1 0 274.271 -0.623 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC(F)(F)C1 ZINC001125504134 813556363 /nfs/dbraw/zinc/55/63/63/813556363.db2.gz IQQVAIAVPSWLPN-SECBINFHSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C=C1CCC1 ZINC001125561695 813561100 /nfs/dbraw/zinc/56/11/00/813561100.db2.gz MMPUBGVFPYRPIY-LLVKDONJSA-N 1 0 263.341 -0.060 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125630427 813566826 /nfs/dbraw/zinc/56/68/26/813566826.db2.gz IRILGSPQBQHKBF-LLVKDONJSA-N 1 0 269.345 -0.579 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(C)c1 ZINC001125667141 813568364 /nfs/dbraw/zinc/56/83/64/813568364.db2.gz GGUJEOPTVKSNGQ-LLVKDONJSA-N 1 0 276.340 -0.518 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(C)cn1 ZINC001125681507 813571595 /nfs/dbraw/zinc/57/15/95/813571595.db2.gz YASJHNOMVIZQFF-UHFFFAOYSA-N 1 0 252.318 -0.058 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125688782 813571895 /nfs/dbraw/zinc/57/18/95/813571895.db2.gz ZXAVBDVGMJZKDZ-LLVKDONJSA-N 1 0 270.329 -0.152 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125695180 813573966 /nfs/dbraw/zinc/57/39/66/813573966.db2.gz JMXXNXQMBBFYTL-WDEREUQCSA-N 1 0 297.355 -0.664 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1COC(=O)C1 ZINC001125695177 813574085 /nfs/dbraw/zinc/57/40/85/813574085.db2.gz JMXXNXQMBBFYTL-GHMZBOCLSA-N 1 0 297.355 -0.664 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cccc1 ZINC001125757068 813580310 /nfs/dbraw/zinc/58/03/10/813580310.db2.gz NYKQXWKGZGOKHM-QWHCGFSZSA-N 1 0 290.367 -0.107 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)[nH]1 ZINC001125783373 813581175 /nfs/dbraw/zinc/58/11/75/813581175.db2.gz OHNXOBSVJOYYDN-LLVKDONJSA-N 1 0 299.338 -0.015 20 30 CBEDRO N#Cc1ccc(C(=O)NCC[NH2+][C@H]2CCNC2=O)[nH]1 ZINC001125776403 813581784 /nfs/dbraw/zinc/58/17/84/813581784.db2.gz NJVMYZLLHNOKOI-VIFPVBQESA-N 1 0 261.285 -0.906 20 30 CBEDRO CC[C@H](C)OCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125819199 813582921 /nfs/dbraw/zinc/58/29/21/813582921.db2.gz TZKBUIPCKMCLEH-JTQLQIEISA-N 1 0 270.333 -0.853 20 30 CBEDRO C[C@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)C(=O)N(C)C ZINC001125813844 813583218 /nfs/dbraw/zinc/58/32/18/813583218.db2.gz LQDMDCLITIQWTL-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CO[C@H](C)CC ZINC001125819218 813584075 /nfs/dbraw/zinc/58/40/75/813584075.db2.gz UHZUYKKFFXXKJB-LLVKDONJSA-N 1 0 271.361 -0.191 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@](C)(O)C1CC1 ZINC001125865910 813586215 /nfs/dbraw/zinc/58/62/15/813586215.db2.gz MXSJVFZNMKJHID-AWEZNQCLSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)SC ZINC001125872380 813586742 /nfs/dbraw/zinc/58/67/42/813586742.db2.gz IVFRMTRZOXUZLL-JTQLQIEISA-N 1 0 271.386 -0.417 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)n1cncn1 ZINC001125917734 813591060 /nfs/dbraw/zinc/59/10/60/813591060.db2.gz HJQLEQBLZSDVAL-GHMZBOCLSA-N 1 0 294.359 -0.764 20 30 CBEDRO Cc1nscc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001125931306 813592153 /nfs/dbraw/zinc/59/21/53/813592153.db2.gz RVRSCCHKPCVCKO-UHFFFAOYSA-N 1 0 281.341 -0.589 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1csnc1C ZINC001125931357 813592750 /nfs/dbraw/zinc/59/27/50/813592750.db2.gz TVLIPKMBUXLPMN-UHFFFAOYSA-N 1 0 280.353 -0.480 20 30 CBEDRO C#CCCCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001125935117 813593556 /nfs/dbraw/zinc/59/35/56/813593556.db2.gz RZZVVWZACFLVBZ-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C#CCCCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001125951318 813595211 /nfs/dbraw/zinc/59/52/11/813595211.db2.gz LKRZPGRKSXCFPB-SNVBAGLBSA-N 1 0 282.344 -0.531 20 30 CBEDRO COC[C@H](O)C[NH2+]CCNC(=O)c1c[nH]c(C#N)c1 ZINC001125988105 813598589 /nfs/dbraw/zinc/59/85/89/813598589.db2.gz LVFVMQWWSMBVIP-LLVKDONJSA-N 1 0 266.301 -0.787 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+]CCN2CCNC2=O)c[nH]1 ZINC001125988479 813598830 /nfs/dbraw/zinc/59/88/30/813598830.db2.gz XYGVRNQALGYQAG-UHFFFAOYSA-N 1 0 290.327 -0.769 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC001125981711 813598942 /nfs/dbraw/zinc/59/89/42/813598942.db2.gz GXGXRFMBXWRHJG-NWDGAFQWSA-N 1 0 281.356 -0.601 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001125998125 813600202 /nfs/dbraw/zinc/60/02/02/813600202.db2.gz KUAJZRAIKLGBGW-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO N#Cc1cc(C(=O)NCC[NH2+]CCn2cncn2)c[nH]1 ZINC001125995297 813600212 /nfs/dbraw/zinc/60/02/12/813600212.db2.gz ZHXDLLIJQXLPHQ-UHFFFAOYSA-N 1 0 273.300 -0.503 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]CCCCOC ZINC001125999172 813600511 /nfs/dbraw/zinc/60/05/11/813600511.db2.gz ZCDLTTOADGOIRK-UHFFFAOYSA-N 1 0 269.345 -0.742 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001125994845 813600909 /nfs/dbraw/zinc/60/09/09/813600909.db2.gz MPJUQWVYXCOMOH-UHFFFAOYSA-N 1 0 289.339 -0.870 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ocnc1C ZINC001125997878 813600973 /nfs/dbraw/zinc/60/09/73/813600973.db2.gz DSFIYKMCUZZMOR-UHFFFAOYSA-N 1 0 278.312 -0.672 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC(=O)NCC)C1=O ZINC001126007614 813602244 /nfs/dbraw/zinc/60/22/44/813602244.db2.gz PQWPSPQHNQWZMH-LLVKDONJSA-N 1 0 296.371 -0.995 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnn(C)c1N ZINC001126099662 813613014 /nfs/dbraw/zinc/61/30/14/813613014.db2.gz SCMWMXHKOPMKEF-UHFFFAOYSA-N 1 0 267.333 -0.476 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)Cc1ccoc1 ZINC001126131390 813616627 /nfs/dbraw/zinc/61/66/27/813616627.db2.gz USKSQHNOVIEYFL-UHFFFAOYSA-N 1 0 264.285 -0.832 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2=CCOCC2)C1=O ZINC001126140964 813617288 /nfs/dbraw/zinc/61/72/88/813617288.db2.gz NETIVVHRCXGZBO-CYBMUJFWSA-N 1 0 293.367 -0.174 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1coc(C)n1 ZINC001126159874 813618167 /nfs/dbraw/zinc/61/81/67/813618167.db2.gz UBIXQHJONPSQQS-UHFFFAOYSA-N 1 0 266.301 -0.395 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnn1CC ZINC001126204825 813627033 /nfs/dbraw/zinc/62/70/33/813627033.db2.gz YLZHZCHBIYRPIS-NSHDSACASA-N 1 0 291.355 -0.640 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)/C=C\c1ccc[nH]1 ZINC001126254871 813628989 /nfs/dbraw/zinc/62/89/89/813628989.db2.gz KIJUNSUVSNWKOQ-ZHRWSRJISA-N 1 0 288.351 -0.128 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001126338827 813636685 /nfs/dbraw/zinc/63/66/85/813636685.db2.gz JQXYNKHUIZYHCW-LLVKDONJSA-N 1 0 251.330 -0.226 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001126339169 813637267 /nfs/dbraw/zinc/63/72/67/813637267.db2.gz RSCAMILBODZFDR-UHFFFAOYSA-N 1 0 295.368 -0.014 20 30 CBEDRO COC1(CC(=O)NCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001126313208 813637924 /nfs/dbraw/zinc/63/79/24/813637924.db2.gz XKNBLCFOPBAESD-UHFFFAOYSA-N 1 0 282.344 -0.709 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+][C@@H](C)C(=O)NCC#C ZINC001126344066 813638542 /nfs/dbraw/zinc/63/85/42/813638542.db2.gz NBHGJVDECLVSRE-LBPRGKRZSA-N 1 0 263.341 -0.366 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)N(C)CC ZINC001126359745 813639044 /nfs/dbraw/zinc/63/90/44/813639044.db2.gz ASTAVNSGXXGUHV-ZDUSSCGKSA-N 1 0 271.361 -0.502 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001126355572 813639289 /nfs/dbraw/zinc/63/92/89/813639289.db2.gz CDMSJJZNSKYUON-SNVBAGLBSA-N 1 0 282.344 -0.660 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@H]1C ZINC001126350311 813639586 /nfs/dbraw/zinc/63/95/86/813639586.db2.gz JEJLVJMOYIOUAX-NWDGAFQWSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CCCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001126344389 813639711 /nfs/dbraw/zinc/63/97/11/813639711.db2.gz WYZXAKLNABMVOV-ZDUSSCGKSA-N 1 0 295.383 -0.352 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC#CCOC ZINC001126366078 813640577 /nfs/dbraw/zinc/64/05/77/813640577.db2.gz QNSUCKCVHUBKSF-CYBMUJFWSA-N 1 0 254.330 -0.331 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@](C)(O)C=C)C1=O ZINC001126365170 813640848 /nfs/dbraw/zinc/64/08/48/813640848.db2.gz HHEVFKGUQQUBKB-WFASDCNBSA-N 1 0 295.383 -0.194 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CC(=O)NCCC ZINC001126364677 813640871 /nfs/dbraw/zinc/64/08/71/813640871.db2.gz AOWIVWAQIMIOHC-ZDUSSCGKSA-N 1 0 271.361 -0.455 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001126365262 813640913 /nfs/dbraw/zinc/64/09/13/813640913.db2.gz IDTGWWPYVKZASR-GXFFZTMASA-N 1 0 269.345 -0.702 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1cnnn1CC ZINC001126366105 813641001 /nfs/dbraw/zinc/64/10/01/813641001.db2.gz QZYRQXWZUQEVCD-ZDUSSCGKSA-N 1 0 281.360 -0.169 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001126364748 813641112 /nfs/dbraw/zinc/64/11/12/813641112.db2.gz BJOKTYLVHHKKSZ-CYBMUJFWSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001126377995 813641904 /nfs/dbraw/zinc/64/19/04/813641904.db2.gz HMZCEHYWRPVYKT-FZMZJTMJSA-N 1 0 293.371 -0.202 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001126384984 813641979 /nfs/dbraw/zinc/64/19/79/813641979.db2.gz RPNZKWGDJRWNSP-AWEZNQCLSA-N 1 0 297.355 -0.832 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001126383131 813642114 /nfs/dbraw/zinc/64/21/14/813642114.db2.gz FIWFPIWMLXNKNT-XHDPSFHLSA-N 1 0 297.399 -0.066 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001126379228 813642613 /nfs/dbraw/zinc/64/26/13/813642613.db2.gz ZZDRLTSKJPLMCG-RISCZKNCSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]CCn1cccn1 ZINC001126378187 813642776 /nfs/dbraw/zinc/64/27/76/813642776.db2.gz IXXILQGTBQTEKB-ZDUSSCGKSA-N 1 0 266.345 -0.084 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001126378165 813643059 /nfs/dbraw/zinc/64/30/59/813643059.db2.gz IOVUTOGIBBMWID-GXFFZTMASA-N 1 0 269.345 -0.750 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC(C)(C)O ZINC001126467837 813651379 /nfs/dbraw/zinc/65/13/79/813651379.db2.gz LSLOZOKLXUVGMT-JTQLQIEISA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C1CC1 ZINC001126486520 813653896 /nfs/dbraw/zinc/65/38/96/813653896.db2.gz BFVPOJICXATSPU-GFCCVEGCSA-N 1 0 269.345 -0.581 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1[nH]ccc1C ZINC001126514509 813655341 /nfs/dbraw/zinc/65/53/41/813655341.db2.gz VCVZGSDZIMGCPZ-UHFFFAOYSA-N 1 0 264.329 -0.055 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnnn1C ZINC001126528614 813657233 /nfs/dbraw/zinc/65/72/33/813657233.db2.gz NJEHUYDCXSQVFO-UHFFFAOYSA-N 1 0 253.306 -0.663 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001126566101 813663592 /nfs/dbraw/zinc/66/35/92/813663592.db2.gz MGLQKQFPVBTIQL-YUMQZZPRSA-N 1 0 274.271 -0.767 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc[nH]c1CC ZINC001126613322 813665373 /nfs/dbraw/zinc/66/53/73/813665373.db2.gz DTRREPSLNIVWBG-UHFFFAOYSA-N 1 0 276.340 -0.354 20 30 CBEDRO Cc1coc(C)c1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001126578420 813665505 /nfs/dbraw/zinc/66/55/05/813665505.db2.gz APJAFVNSCVXZAU-UHFFFAOYSA-N 1 0 278.312 -0.144 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](O)C(C)C ZINC001126622284 813666114 /nfs/dbraw/zinc/66/61/14/813666114.db2.gz HSUBRYDWWKOFKG-WDEREUQCSA-N 1 0 271.361 -0.600 20 30 CBEDRO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](O)C(C)C ZINC001126622557 813667876 /nfs/dbraw/zinc/66/78/76/813667876.db2.gz KEMSBCDIPDDOKF-CQSZACIVSA-N 1 0 297.399 -0.090 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn(C)nn1 ZINC001126654203 813669229 /nfs/dbraw/zinc/66/92/29/813669229.db2.gz NCLSKKWNRMFTQE-UHFFFAOYSA-N 1 0 253.306 -0.663 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cnnn1CC ZINC001126720711 813678911 /nfs/dbraw/zinc/67/89/11/813678911.db2.gz CDSHDWWPMFWZIH-UHFFFAOYSA-N 1 0 267.333 -0.180 20 30 CBEDRO CC(C)C#CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001126827977 813686701 /nfs/dbraw/zinc/68/67/01/813686701.db2.gz INIBSTIZONHUFV-UHFFFAOYSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1(O)CCC1 ZINC001126860259 813689552 /nfs/dbraw/zinc/68/95/52/813689552.db2.gz BQFSITSSPRMFSB-LLVKDONJSA-N 1 0 281.356 -0.865 20 30 CBEDRO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C#CC1CC1 ZINC001126886466 813690953 /nfs/dbraw/zinc/69/09/53/813690953.db2.gz TXYUNEYDGPSGGC-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO O=C(C#CC1CC1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001126886014 813691009 /nfs/dbraw/zinc/69/10/09/813691009.db2.gz NJQVHEYXYIONJV-CYBMUJFWSA-N 1 0 293.367 -0.742 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C#CC1CC1 ZINC001126885851 813691090 /nfs/dbraw/zinc/69/10/90/813691090.db2.gz LULMSAQCXILGJX-LLVKDONJSA-N 1 0 263.341 -0.204 20 30 CBEDRO O=C(C#CC1CC1)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001126876017 813691234 /nfs/dbraw/zinc/69/12/34/813691234.db2.gz XPTSAIJTYWNIKN-ZDUSSCGKSA-N 1 0 298.408 -0.070 20 30 CBEDRO O=C(C#CC1CC1)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001126875861 813691343 /nfs/dbraw/zinc/69/13/43/813691343.db2.gz PVPWCFODIYWAMI-UHFFFAOYSA-N 1 0 298.408 -0.070 20 30 CBEDRO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C#CC1CC1 ZINC001126881782 813691714 /nfs/dbraw/zinc/69/17/14/813691714.db2.gz ZZMCIEKLHOJFIW-ZDUSSCGKSA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C#CC(C)(C)C ZINC001126921016 813692321 /nfs/dbraw/zinc/69/23/21/813692321.db2.gz FDZSVWWIFLQKLW-GFCCVEGCSA-N 1 0 277.368 -0.120 20 30 CBEDRO CC(C)(C)C#CC(=O)NCC[NH2+]CCOCCO ZINC001126912353 813692374 /nfs/dbraw/zinc/69/23/74/813692374.db2.gz LARSGUZOOKGIOY-UHFFFAOYSA-N 1 0 256.346 -0.249 20 30 CBEDRO CC(C)(C)C#CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001126916433 813693738 /nfs/dbraw/zinc/69/37/38/813693738.db2.gz UXIAUEKJZQBRMN-UHFFFAOYSA-N 1 0 289.401 -0.709 20 30 CBEDRO CN1CC[C@H]([NH2+]CCNC(=O)C#CC(C)(C)C)C1=O ZINC001126915917 813693899 /nfs/dbraw/zinc/69/38/99/813693899.db2.gz KEZZGNHASHOMMA-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1nn(C)cc1C ZINC001126960906 813699075 /nfs/dbraw/zinc/69/90/75/813699075.db2.gz SAPCWRZPFSMXDZ-NSHDSACASA-N 1 0 293.371 -0.261 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+][C@@H](C)C(=O)NCCC ZINC001127027032 813702383 /nfs/dbraw/zinc/70/23/83/813702383.db2.gz FFGDESKNWPFDJN-LBPRGKRZSA-N 1 0 283.372 -0.353 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+]CCOCCOC ZINC001127031480 813703941 /nfs/dbraw/zinc/70/39/41/813703941.db2.gz DGTDRDSWFFTBHT-UHFFFAOYSA-N 1 0 272.345 -0.605 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001127039352 813704061 /nfs/dbraw/zinc/70/40/61/813704061.db2.gz HLJHKQFXEMHNBV-LLVKDONJSA-N 1 0 283.372 -0.355 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001127039510 813704669 /nfs/dbraw/zinc/70/46/69/813704669.db2.gz LBWBZFMWODZERW-GFCCVEGCSA-N 1 0 291.351 -0.371 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001127039602 813705079 /nfs/dbraw/zinc/70/50/79/813705079.db2.gz MYOJCADXQWISJY-ZDUSSCGKSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CCOCCC(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001127031450 813705123 /nfs/dbraw/zinc/70/51/23/813705123.db2.gz CHYCSKCDMZQRQW-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001127046133 813706002 /nfs/dbraw/zinc/70/60/02/813706002.db2.gz MLJBCAAUCYFIMS-LLVKDONJSA-N 1 0 293.371 -0.361 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O ZINC001127052361 813707247 /nfs/dbraw/zinc/70/72/47/813707247.db2.gz VQDMDPSMSORGPQ-RYUDHWBXSA-N 1 0 283.372 -0.225 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001127047178 813707292 /nfs/dbraw/zinc/70/72/92/813707292.db2.gz ZBQLARGKVTWXMD-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]CC(=O)NCCC ZINC001127047189 813707482 /nfs/dbraw/zinc/70/74/82/813707482.db2.gz ZDCIRYFWRIUFMK-NSHDSACASA-N 1 0 269.345 -0.743 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001127052163 813707760 /nfs/dbraw/zinc/70/77/60/813707760.db2.gz SEIRRFKFAKAGSE-MNOVXSKESA-N 1 0 269.345 -0.793 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001127046642 813708063 /nfs/dbraw/zinc/70/80/63/813708063.db2.gz UBUXFGPOFKBXPA-VXGBXAGGSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001127051365 813708069 /nfs/dbraw/zinc/70/80/69/813708069.db2.gz HHHYUSYOZVVRFJ-GFCCVEGCSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)C(=O)NCC=C ZINC001127051115 813708140 /nfs/dbraw/zinc/70/81/40/813708140.db2.gz CCZLOTADHDWYKK-NEPJUHHUSA-N 1 0 281.356 -0.579 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001127047182 813708275 /nfs/dbraw/zinc/70/82/75/813708275.db2.gz ZBQLARGKVTWXMD-VXGBXAGGSA-N 1 0 281.356 -0.649 20 30 CBEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CCS(=O)(=O)NC ZINC001127082281 813711451 /nfs/dbraw/zinc/71/14/51/813711451.db2.gz OGNYDMTTYLFDRW-NSHDSACASA-N 1 0 291.417 -0.014 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CC1(CS(C)(=O)=O)CC1 ZINC001127201053 813719539 /nfs/dbraw/zinc/71/95/39/813719539.db2.gz KPPDLMFKCUQOCW-UHFFFAOYSA-N 1 0 286.397 -0.070 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)c1cnc(N(C)C)cn1 ZINC001127284689 813720850 /nfs/dbraw/zinc/72/08/50/813720850.db2.gz NFWNVWANHOUHED-UHFFFAOYSA-N 1 0 261.329 -0.115 20 30 CBEDRO C#CC[NH2+]CCNC(=O)COc1c(C)nn(C)c1C ZINC001127356440 813725719 /nfs/dbraw/zinc/72/57/19/813725719.db2.gz CHWYTBVPUUZNJS-UHFFFAOYSA-N 1 0 264.329 -0.245 20 30 CBEDRO Cc1cnccc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127362429 813726027 /nfs/dbraw/zinc/72/60/27/813726027.db2.gz KRCYAMSPIXREKV-UHFFFAOYSA-N 1 0 289.339 -0.722 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](OCC)C1CC1 ZINC001127415142 813727658 /nfs/dbraw/zinc/72/76/58/813727658.db2.gz DQPIZMMORLXYOH-YPMHNXCESA-N 1 0 295.383 -0.355 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC ZINC001127604748 813737195 /nfs/dbraw/zinc/73/71/95/813737195.db2.gz MGDQBAJIVQFHKP-UPJWGTAASA-N 1 0 286.372 -0.319 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001127609330 813738091 /nfs/dbraw/zinc/73/80/91/813738091.db2.gz WBZHTEWIPNTXAA-UTUOFQBUSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C)CC1 ZINC001127865119 813750165 /nfs/dbraw/zinc/75/01/65/813750165.db2.gz ARIYTEVADRDJNB-JTQLQIEISA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C)CC1 ZINC001127865122 813750329 /nfs/dbraw/zinc/75/03/29/813750329.db2.gz ARIYTEVADRDJNB-SNVBAGLBSA-N 1 0 296.371 -0.107 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)NC(=O)COC ZINC001127994873 813757214 /nfs/dbraw/zinc/75/72/14/813757214.db2.gz VNPUYYSEPLQVAY-NSHDSACASA-N 1 0 271.361 -0.191 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)NC(=O)COC ZINC001127967747 813755229 /nfs/dbraw/zinc/75/52/29/813755229.db2.gz PIYXVVFRLYQFOH-SECBINFHSA-N 1 0 277.752 -0.404 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1nn(C)cc1Cl ZINC001128131227 813761266 /nfs/dbraw/zinc/76/12/66/813761266.db2.gz QMRXQYVAZKLLNV-UHFFFAOYSA-N 1 0 299.762 -0.305 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cccn2nnnc12 ZINC001128204096 813763389 /nfs/dbraw/zinc/76/33/89/813763389.db2.gz KKULWKMVTBTZTC-UHFFFAOYSA-N 1 0 258.285 -0.533 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1c(F)cncc1F ZINC001128339593 813772315 /nfs/dbraw/zinc/77/23/15/813772315.db2.gz STYFWTXYVSVNGM-UHFFFAOYSA-N 1 0 296.277 -0.571 20 30 CBEDRO C=C(C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128413288 813773328 /nfs/dbraw/zinc/77/33/28/813773328.db2.gz AQHIOSRDTPKZDM-SNVBAGLBSA-N 1 0 284.360 -0.107 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCc1cc(OC)no1 ZINC001128373823 813773501 /nfs/dbraw/zinc/77/35/01/813773501.db2.gz ABNNJGCQEIHNKM-UHFFFAOYSA-N 1 0 295.339 -0.029 20 30 CBEDRO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128413287 813773544 /nfs/dbraw/zinc/77/35/44/813773544.db2.gz AQHIOSRDTPKZDM-JTQLQIEISA-N 1 0 284.360 -0.107 20 30 CBEDRO C=C(C)[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)OCC ZINC001128527706 813779578 /nfs/dbraw/zinc/77/95/78/813779578.db2.gz CHDJLCPDFKDQMX-GFCCVEGCSA-N 1 0 296.371 -0.297 20 30 CBEDRO C=C(C)[C@H](CC(=O)NCC[NH2+][C@@H](C)C(N)=O)OCC ZINC001128529134 813779711 /nfs/dbraw/zinc/77/97/11/813779711.db2.gz YZUODVSKCAVLTA-QWRGUYRKSA-N 1 0 271.361 -0.063 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CCNS(C)(=O)=O ZINC001128609071 813784639 /nfs/dbraw/zinc/78/46/39/813784639.db2.gz MZJHICGDBHEKFB-UHFFFAOYSA-N 1 0 263.363 -0.792 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CCNC(=O)COC ZINC001128692307 813794280 /nfs/dbraw/zinc/79/42/80/813794280.db2.gz YNVKTFUHAXRQSB-UHFFFAOYSA-N 1 0 257.334 -0.579 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCO[C@@H]1CC ZINC001129088307 813817556 /nfs/dbraw/zinc/81/75/56/813817556.db2.gz XROPCMXTMZRJQG-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCC1(C(=O)NCC[NH2+][C@H](C)C(=O)NC)CCOCC1 ZINC001129116542 813817645 /nfs/dbraw/zinc/81/76/45/813817645.db2.gz ADLYYEFIJYTVGI-GFCCVEGCSA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCO[C@@H]1CC ZINC001129088309 813818541 /nfs/dbraw/zinc/81/85/41/813818541.db2.gz XROPCMXTMZRJQG-QWHCGFSZSA-N 1 0 295.383 -0.353 20 30 CBEDRO CC(C)[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129076322 813819164 /nfs/dbraw/zinc/81/91/64/813819164.db2.gz ZXSFJENPIZXVMG-YPMHNXCESA-N 1 0 296.371 -0.607 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001129208103 813824236 /nfs/dbraw/zinc/82/42/36/813824236.db2.gz PCJNEJZUDBJRNO-VXGBXAGGSA-N 1 0 254.330 -0.233 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001129208101 813825063 /nfs/dbraw/zinc/82/50/63/813825063.db2.gz PCJNEJZUDBJRNO-RYUDHWBXSA-N 1 0 254.330 -0.233 20 30 CBEDRO C[NH+](C)CCC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001129224174 813825628 /nfs/dbraw/zinc/82/56/28/813825628.db2.gz XYKSMBREGHCBFS-NEPJUHHUSA-N 1 0 291.359 -0.905 20 30 CBEDRO CC(C)c1nocc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129279036 813830411 /nfs/dbraw/zinc/83/04/11/813830411.db2.gz MFDPAKZDWBYDNW-UHFFFAOYSA-N 1 0 293.327 -0.243 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cnc(C)o1 ZINC001129322065 813837224 /nfs/dbraw/zinc/83/72/24/813837224.db2.gz MSJILAIVMFQOJG-JTQLQIEISA-N 1 0 294.355 -0.078 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129380364 813840131 /nfs/dbraw/zinc/84/01/31/813840131.db2.gz HWNBBJNJSVYWCG-GFCCVEGCSA-N 1 0 263.345 -0.848 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CCOCC1=O ZINC001129569753 813852531 /nfs/dbraw/zinc/85/25/31/813852531.db2.gz MDCFIZAYTIEDID-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129578298 813853902 /nfs/dbraw/zinc/85/39/02/813853902.db2.gz KJXDHNUBOVWZNK-UHFFFAOYSA-N 1 0 288.311 -0.678 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129670729 813857303 /nfs/dbraw/zinc/85/73/03/813857303.db2.gz AQLGHTHRDDAYDE-UHFFFAOYSA-N 1 0 261.281 -0.195 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129689865 813858485 /nfs/dbraw/zinc/85/84/85/813858485.db2.gz BXUQJEFOCULHBU-XQQFMLRXSA-N 1 0 286.339 -0.197 20 30 CBEDRO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001129689864 813858615 /nfs/dbraw/zinc/85/86/15/813858615.db2.gz BXUQJEFOCULHBU-UPJWGTAASA-N 1 0 286.339 -0.197 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001129762190 813862437 /nfs/dbraw/zinc/86/24/37/813862437.db2.gz ITCCFEIHMJPOKW-ZDUSSCGKSA-N 1 0 290.371 -0.882 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1cnccc1C ZINC001129786998 813863299 /nfs/dbraw/zinc/86/32/99/813863299.db2.gz GLOGVTOCIAREBF-UHFFFAOYSA-N 1 0 288.351 -0.612 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001129771082 813863675 /nfs/dbraw/zinc/86/36/75/813863675.db2.gz QJCQMEZHXLJRNH-RYUDHWBXSA-N 1 0 280.372 -0.946 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCOCC ZINC001129791099 813864724 /nfs/dbraw/zinc/86/47/24/813864724.db2.gz RPQSGKQXVADVGM-ZDUSSCGKSA-N 1 0 267.373 -0.174 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129809690 813866140 /nfs/dbraw/zinc/86/61/40/813866140.db2.gz KATPJYWOXORYBQ-WOPDTQHZSA-N 1 0 299.371 -0.813 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001129829897 813870119 /nfs/dbraw/zinc/87/01/19/813870119.db2.gz 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RXFKJSASNCQCJV-UHFFFAOYSA-N 1 0 252.318 -0.172 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC1(F)F ZINC001130101511 813907400 /nfs/dbraw/zinc/90/74/00/813907400.db2.gz MFFCVHLUHBVWDI-QMMMGPOBSA-N 1 0 274.271 -0.623 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001130163499 813912034 /nfs/dbraw/zinc/91/20/34/813912034.db2.gz WCVDQFDAOHZOIU-NSHDSACASA-N 1 0 276.340 -0.203 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[nH]1 ZINC001130173449 813913185 /nfs/dbraw/zinc/91/31/85/813913185.db2.gz RTPLTXIIHWENRZ-RYUDHWBXSA-N 1 0 291.355 -0.074 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130182405 813913732 /nfs/dbraw/zinc/91/37/32/813913732.db2.gz GOUOAXUBRQDPSU-VXGBXAGGSA-N 1 0 253.346 -0.565 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cn2c(n1)COCC2 ZINC001130250765 813920821 /nfs/dbraw/zinc/92/08/21/813920821.db2.gz KTFXOARMQIAVNH-UHFFFAOYSA-N 1 0 294.355 -0.065 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130253005 813922183 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ZINC001130445920 813941342 /nfs/dbraw/zinc/94/13/42/813941342.db2.gz ZCADZOBHGLGIDL-SNVBAGLBSA-N 1 0 277.328 -0.725 20 30 CBEDRO CO[C@H]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001130545609 813952588 /nfs/dbraw/zinc/95/25/88/813952588.db2.gz OQCBPXDQRSMZTD-MNOVXSKESA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553660 813952725 /nfs/dbraw/zinc/95/27/25/813952725.db2.gz KPUFCDDGCPSSFB-UHFFFAOYSA-N 1 0 268.361 -0.958 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)C1(F)CCCC1 ZINC001130622499 813959503 /nfs/dbraw/zinc/95/95/03/813959503.db2.gz LXFKUBXNVPIGAZ-UHFFFAOYSA-N 1 0 270.308 -0.386 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130673590 813963748 /nfs/dbraw/zinc/96/37/48/813963748.db2.gz JRMLNDYHKCZBMR-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130676984 813963857 /nfs/dbraw/zinc/96/38/57/813963857.db2.gz JOKJBPWKKWVAHX-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130676528 813963986 /nfs/dbraw/zinc/96/39/86/813963986.db2.gz AMHOHNWKOWRRDJ-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702314 813967248 /nfs/dbraw/zinc/96/72/48/813967248.db2.gz KOLGRGZOWDROEO-NSHDSACASA-N 1 0 269.345 -0.579 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH]nc1CC ZINC001130725639 813969651 /nfs/dbraw/zinc/96/96/51/813969651.db2.gz JDVIOWKNYVKEQR-SNVBAGLBSA-N 1 0 291.355 -0.571 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1ccc(=O)n(C)c1 ZINC001130763896 813979060 /nfs/dbraw/zinc/97/90/60/813979060.db2.gz JHKQGZYZDZLRDG-UHFFFAOYSA-N 1 0 277.324 -0.646 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)CN1CCCNC1=O ZINC001130784479 813982054 /nfs/dbraw/zinc/98/20/54/813982054.db2.gz UXTCXUIVTACILE-UHFFFAOYSA-N 1 0 254.334 -0.316 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cn2cccnc2n1 ZINC001130801057 813983475 /nfs/dbraw/zinc/98/34/75/813983475.db2.gz YMIHNUBFHYKFJJ-UHFFFAOYSA-N 1 0 287.323 -0.302 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)c1ccc(S(N)(=O)=O)o1 ZINC001130802837 813984368 /nfs/dbraw/zinc/98/43/68/813984368.db2.gz NORODLCBVJHKIL-UHFFFAOYSA-N 1 0 287.341 -0.178 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccnnc1C ZINC001130876882 813989224 /nfs/dbraw/zinc/98/92/24/813989224.db2.gz DLCYYSOXXLLDPT-NSHDSACASA-N 1 0 291.355 -0.205 20 30 CBEDRO C#CC[NH2+]CCNC(=O)COCc1nnc(C)s1 ZINC001130889715 813989625 /nfs/dbraw/zinc/98/96/25/813989625.db2.gz WNVCCBMYPFVJHE-UHFFFAOYSA-N 1 0 268.342 -0.298 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893552 813990650 /nfs/dbraw/zinc/99/06/50/813990650.db2.gz JRHMVMXYVBMRIF-UHFFFAOYSA-N 1 0 262.313 -0.533 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cncn2C)C1=O ZINC001130898551 813990924 /nfs/dbraw/zinc/99/09/24/813990924.db2.gz DJMHVZPUUUIZOT-NSHDSACASA-N 1 0 291.355 -0.474 20 30 CBEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCOC)C[C@H]1c1cncn1C ZINC001130893160 813991090 /nfs/dbraw/zinc/99/10/90/813991090.db2.gz AOPLFLOUNVEXNI-CHWSQXEVSA-N 1 0 290.367 -0.026 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cncn2C)C1=O ZINC001130898550 813991739 /nfs/dbraw/zinc/99/17/39/813991739.db2.gz DJMHVZPUUUIZOT-LLVKDONJSA-N 1 0 291.355 -0.474 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130941445 813994535 /nfs/dbraw/zinc/99/45/35/813994535.db2.gz QIYIXWKXXOBKCM-UHFFFAOYSA-N 1 0 266.301 -0.769 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001130990986 813996826 /nfs/dbraw/zinc/99/68/26/813996826.db2.gz PVIYCKPDZOQHPJ-LLVKDONJSA-N 1 0 272.370 -0.460 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cnc2sccn2c1=O ZINC001131002925 813998235 /nfs/dbraw/zinc/99/82/35/813998235.db2.gz YVKXWZKQQPIQGH-UHFFFAOYSA-N 1 0 276.321 -0.291 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cn1nc(C)cc1C ZINC001131065871 814002430 /nfs/dbraw/zinc/00/24/30/814002430.db2.gz DKCLSQSOWUUXIY-UHFFFAOYSA-N 1 0 278.356 -0.144 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)c1cc(OC)n(C)n1 ZINC001131127664 814007884 /nfs/dbraw/zinc/00/78/84/814007884.db2.gz XQSPTWFFZBNAIC-UHFFFAOYSA-N 1 0 282.344 -0.049 20 30 CBEDRO Cn1c(Cl)ncc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131332497 814020823 /nfs/dbraw/zinc/02/08/23/814020823.db2.gz ZOURTTGUUDMTNF-UHFFFAOYSA-N 1 0 298.734 -0.967 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001131360992 814025494 /nfs/dbraw/zinc/02/54/94/814025494.db2.gz ZGQMSAFRFKHPSO-UHFFFAOYSA-N 1 0 293.323 -0.647 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1nnc2ccccc2n1 ZINC001131397604 814029587 /nfs/dbraw/zinc/02/95/87/814029587.db2.gz ANSNOOMIFGITFN-UHFFFAOYSA-N 1 0 299.334 -0.006 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1cnc2c(c1)nnn2C ZINC001131459025 814034250 /nfs/dbraw/zinc/03/42/50/814034250.db2.gz NPEYCCCSHDVPFZ-UHFFFAOYSA-N 1 0 260.301 -0.131 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001131499380 814035323 /nfs/dbraw/zinc/03/53/23/814035323.db2.gz JKTFCXZKWCAQEV-GMXVVIOVSA-N 1 0 294.355 -0.853 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001131531300 814042401 /nfs/dbraw/zinc/04/24/01/814042401.db2.gz UPXKWLCEGNYJJW-VXGBXAGGSA-N 1 0 254.330 -0.233 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(C)CCO[C@H]1C ZINC001131684362 814053007 /nfs/dbraw/zinc/05/30/07/814053007.db2.gz FOTBDFUXTOVVMX-FZMZJTMJSA-N 1 0 281.356 -0.743 20 30 CBEDRO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811286 823718516 /nfs/dbraw/zinc/71/85/16/823718516.db2.gz AWVLZHLNUZXYQR-SNVBAGLBSA-N 1 0 252.318 -0.789 20 30 CBEDRO C#CCNC(=O)CN1C[C@@H](NC(=O)COC)CC[C@@H]1C ZINC001131726823 814058945 /nfs/dbraw/zinc/05/89/45/814058945.db2.gz WBLZRZWNKJLGLE-RYUDHWBXSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)CN1C[C@H](NC(C)=O)CC[C@H]1C ZINC001131724990 814059804 /nfs/dbraw/zinc/05/98/04/814059804.db2.gz JMGREJVQBZKLJG-ZYHUDNBSSA-N 1 0 251.330 -0.275 20 30 CBEDRO CC(=O)N[C@H]1CC[C@H](C)N(CC(=O)NCC#N)C1 ZINC001131725322 814059940 /nfs/dbraw/zinc/05/99/40/814059940.db2.gz KYGNFWZMJAWTNO-ONGXEEELSA-N 1 0 252.318 -0.385 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@H](CCC)S(N)(=O)=O ZINC001131777234 814068459 /nfs/dbraw/zinc/06/84/59/814068459.db2.gz FTXZFPSLCUNADZ-JTQLQIEISA-N 1 0 275.374 -0.827 20 30 CBEDRO C=CC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793891 814068953 /nfs/dbraw/zinc/06/89/53/814068953.db2.gz YJLIFJYYTJEBCS-UWVGGRQHSA-N 1 0 254.334 -0.190 20 30 CBEDRO C=CC[N@H+]1C[C@H](NC(=O)CNC(N)=O)CC[C@@H]1C ZINC001131793892 814069139 /nfs/dbraw/zinc/06/91/39/814069139.db2.gz YJLIFJYYTJEBCS-VHSXEESVSA-N 1 0 254.334 -0.190 20 30 CBEDRO CC#CC[N@@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131792847 814069216 /nfs/dbraw/zinc/06/92/16/814069216.db2.gz NPNZWXHMZYHXJY-MNOVXSKESA-N 1 0 266.345 -0.353 20 30 CBEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)CNC(N)=O)CC[C@H]1C ZINC001131793590 814069781 /nfs/dbraw/zinc/06/97/81/814069781.db2.gz VNSDDPAFUYILEI-NEPJUHHUSA-N 1 0 298.387 -0.174 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131824485 814070713 /nfs/dbraw/zinc/07/07/13/814070713.db2.gz BTSRCNCMHFRQMN-SNVBAGLBSA-N 1 0 277.315 -0.156 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001131835078 814073518 /nfs/dbraw/zinc/07/35/18/814073518.db2.gz NDRVNMJATGMQGI-UHFFFAOYSA-N 1 0 275.312 -0.164 20 30 CBEDRO C#CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)OC)CC[C@@H]1C ZINC001131835792 814074176 /nfs/dbraw/zinc/07/41/76/814074176.db2.gz ZQDRPXFPDYSKAX-QWRGUYRKSA-N 1 0 267.329 -0.055 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1occ2c1CCC2 ZINC001131851400 814075709 /nfs/dbraw/zinc/07/57/09/814075709.db2.gz SVTSJXBFKXQDMW-UHFFFAOYSA-N 1 0 290.323 -0.273 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@](C)(C=C)CCOC ZINC001131866866 814077385 /nfs/dbraw/zinc/07/73/85/814077385.db2.gz FETIYMRYBKISMQ-OAHLLOKOSA-N 1 0 295.383 -0.330 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C[C@@H]1CCCS1(=O)=O ZINC001131874415 814077980 /nfs/dbraw/zinc/07/79/80/814077980.db2.gz XMYXGVLTNXNIIT-NSHDSACASA-N 1 0 272.370 -0.317 20 30 CBEDRO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001131867526 814078513 /nfs/dbraw/zinc/07/85/13/814078513.db2.gz RIVRNACILITOLZ-MFKMUULPSA-N 1 0 271.361 -0.205 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131884184 814079430 /nfs/dbraw/zinc/07/94/30/814079430.db2.gz HXNLRJJRNMAKJE-NEPJUHHUSA-N 1 0 254.330 -0.233 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@]1(COC)CCOC1 ZINC001131902519 814083957 /nfs/dbraw/zinc/08/39/57/814083957.db2.gz SGFWBDLUMLEEBR-ZDUSSCGKSA-N 1 0 254.330 -0.231 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1coc(OC)n1 ZINC001131924740 814085170 /nfs/dbraw/zinc/08/51/70/814085170.db2.gz AXOARTINBRCOBS-VIFPVBQESA-N 1 0 294.311 -0.860 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C1CCC1 ZINC001131957071 814086683 /nfs/dbraw/zinc/08/66/83/814086683.db2.gz SXTGHWPEUSEGMN-CYBMUJFWSA-N 1 0 283.372 -0.191 20 30 CBEDRO COCC#CC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)CC[C@H]1C ZINC001131964624 814090342 /nfs/dbraw/zinc/09/03/42/814090342.db2.gz IMFLAUCGNSHKNL-NEPJUHHUSA-N 1 0 281.356 -0.519 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C2CC2)on1 ZINC001132001213 814092594 /nfs/dbraw/zinc/09/25/94/814092594.db2.gz ZVLOWSIHFSQGKX-UHFFFAOYSA-N 1 0 291.311 -0.489 20 30 CBEDRO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001132029050 814095809 /nfs/dbraw/zinc/09/58/09/814095809.db2.gz GLPBJBOTYDWGQA-OLZOCXBDSA-N 1 0 268.357 -0.012 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)NC)CC[C@H]1C ZINC001132091154 814102126 /nfs/dbraw/zinc/10/21/26/814102126.db2.gz SXBDMWJVWZONKU-NEPJUHHUSA-N 1 0 280.372 -0.092 20 30 CBEDRO C#CC[N@@H+]1C[C@H](NC(=O)CNC(=O)NC)CC[C@@H]1C ZINC001132085846 814102243 /nfs/dbraw/zinc/10/22/43/814102243.db2.gz AFHWHAVWGKRKBP-WDEREUQCSA-N 1 0 266.345 -0.482 20 30 CBEDRO C#CC[NH2+]CCNC(=O)CCNC(=O)C(C)(C)C ZINC001132126086 814105522 /nfs/dbraw/zinc/10/55/22/814105522.db2.gz IFSMPYGVBWUBCW-UHFFFAOYSA-N 1 0 253.346 -0.122 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCNC(=O)C(C)(C)C ZINC001132126175 814105569 /nfs/dbraw/zinc/10/55/69/814105569.db2.gz MRQCJBCNBZEHPP-UHFFFAOYSA-N 1 0 297.399 -0.106 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001132142060 814107370 /nfs/dbraw/zinc/10/73/70/814107370.db2.gz ZKEFQOJQLZQHEH-SNVBAGLBSA-N 1 0 253.346 -0.124 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2c[nH]nc21 ZINC001132186353 814109103 /nfs/dbraw/zinc/10/91/03/814109103.db2.gz KIPXXSFIKKRLHE-UHFFFAOYSA-N 1 0 299.334 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(OC)ccn1 ZINC001132219395 814112355 /nfs/dbraw/zinc/11/23/55/814112355.db2.gz ILNNYZKSZHKQFE-UHFFFAOYSA-N 1 0 292.339 -0.288 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COC)cc1 ZINC001132222771 814114556 /nfs/dbraw/zinc/11/45/56/814114556.db2.gz JFXHCNURWONXII-CQSZACIVSA-N 1 0 276.336 -0.005 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cnc2c(c1)ncn2C ZINC001132268441 814118480 /nfs/dbraw/zinc/11/84/80/814118480.db2.gz HFDKSPBUGJKUJT-UHFFFAOYSA-N 1 0 257.297 -0.079 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)c1cn(C)nc1OC ZINC001132277546 814119814 /nfs/dbraw/zinc/11/98/14/814119814.db2.gz CFOZLWLNTSKBOC-UHFFFAOYSA-N 1 0 250.302 -0.229 20 30 CBEDRO O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCNC1=O ZINC001132359953 814135138 /nfs/dbraw/zinc/13/51/38/814135138.db2.gz VCIXMTPDUKWLAO-AWEZNQCLSA-N 1 0 285.347 -0.120 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1c[nH]c(=O)n1C ZINC001132367051 814137957 /nfs/dbraw/zinc/13/79/57/814137957.db2.gz KFWZRMYALSHQKO-UHFFFAOYSA-N 1 0 266.301 -0.905 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C=C ZINC001132391433 814146997 /nfs/dbraw/zinc/14/69/97/814146997.db2.gz JKXBZDFUTZCIRC-UHFFFAOYSA-N 1 0 251.330 -0.346 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[C@@H]1C ZINC001132501893 814155240 /nfs/dbraw/zinc/15/52/40/814155240.db2.gz AGUVEPYCKFBUIS-AXFHLTTASA-N 1 0 296.371 -0.252 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523629 814159080 /nfs/dbraw/zinc/15/90/80/814159080.db2.gz RNNMOIPHFAAIOL-SECBINFHSA-N 1 0 252.322 -0.116 20 30 CBEDRO Cn1nnc(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)n1 ZINC001132523569 814159417 /nfs/dbraw/zinc/15/94/17/814159417.db2.gz OREDHNSQWNEFSZ-UHFFFAOYSA-N 1 0 285.311 -0.399 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)c1nnn(C)n1 ZINC001132523745 814159438 /nfs/dbraw/zinc/15/94/38/814159438.db2.gz XHMXJJMSLMUKDR-UHFFFAOYSA-N 1 0 289.137 -0.562 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1c(C)cnn1C ZINC001132549023 814163247 /nfs/dbraw/zinc/16/32/47/814163247.db2.gz WVEJXLJZCFGRCQ-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C(C)C ZINC001132560753 814163927 /nfs/dbraw/zinc/16/39/27/814163927.db2.gz APRGSLZNCWHRKQ-QWRGUYRKSA-N 1 0 271.336 -0.176 20 30 CBEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001132569565 814164913 /nfs/dbraw/zinc/16/49/13/814164913.db2.gz ULYOSODJWUVOMP-UWVGGRQHSA-N 1 0 284.360 -0.394 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001132590988 814165441 /nfs/dbraw/zinc/16/54/41/814165441.db2.gz BWWBRSNGVJFTQD-GFCCVEGCSA-N 1 0 256.346 -0.107 20 30 CBEDRO CC#CCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132591383 814165900 /nfs/dbraw/zinc/16/59/00/814165900.db2.gz NAQFBFKKUITLGX-UHFFFAOYSA-N 1 0 268.317 -0.919 20 30 CBEDRO COCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001132595354 814166647 /nfs/dbraw/zinc/16/66/47/814166647.db2.gz ZCSLRKSVWSNZTO-NEPJUHHUSA-N 1 0 296.371 -0.653 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@H]1C ZINC001132633858 814174910 /nfs/dbraw/zinc/17/49/10/814174910.db2.gz OYYIYUYKACZKEX-NEPJUHHUSA-N 1 0 280.372 -0.248 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1csc(=O)[nH]1 ZINC001132657804 814175729 /nfs/dbraw/zinc/17/57/29/814175729.db2.gz NEMALXQPKCKYOM-QMMMGPOBSA-N 1 0 298.368 -0.141 20 30 CBEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001132650755 814176541 /nfs/dbraw/zinc/17/65/41/814176541.db2.gz NTJRYKBBLCMMDA-NSHDSACASA-N 1 0 266.345 -0.066 20 30 CBEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132660117 814178203 /nfs/dbraw/zinc/17/82/03/814178203.db2.gz JEBZIRZGEWPJPZ-SECBINFHSA-N 1 0 270.333 -0.511 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132718287 814180811 /nfs/dbraw/zinc/18/08/11/814180811.db2.gz KAGTYJIBEFDRHF-AWEZNQCLSA-N 1 0 283.372 -0.189 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)CC(N)=O)CC[C@@H]1C ZINC001132716799 814181294 /nfs/dbraw/zinc/18/12/94/814181294.db2.gz GWBQZZKBGYCJOD-NWDGAFQWSA-N 1 0 265.357 -0.041 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2cnoc2)C1=O ZINC001132742911 814184997 /nfs/dbraw/zinc/18/49/97/814184997.db2.gz NCERVMYNSOPPRD-LBPRGKRZSA-N 1 0 292.339 -0.290 20 30 CBEDRO CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784113 823718998 /nfs/dbraw/zinc/71/89/98/823718998.db2.gz IHCAXFROBHIRQU-NSHDSACASA-N 1 0 262.317 -0.771 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@@H]1C ZINC001132823619 814192518 /nfs/dbraw/zinc/19/25/18/814192518.db2.gz JFCUCSLRMGICPR-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNCC#N)C1 ZINC001132859067 814195110 /nfs/dbraw/zinc/19/51/10/814195110.db2.gz UZIAQVAZKISGQM-NSHDSACASA-N 1 0 254.334 -0.675 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)Cc1ncccc1F ZINC001132898304 814199151 /nfs/dbraw/zinc/19/91/51/814199151.db2.gz JOKQCCOBJQQYFS-UHFFFAOYSA-N 1 0 292.314 -0.782 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnc(C)n1C ZINC001132896221 814199611 /nfs/dbraw/zinc/19/96/11/814199611.db2.gz UWWBWCFHQCFZLA-SNVBAGLBSA-N 1 0 291.355 -0.814 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132916922 814201265 /nfs/dbraw/zinc/20/12/65/814201265.db2.gz UKAHTNKXOWXFLG-JTQLQIEISA-N 1 0 263.345 -0.188 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132916882 814201439 /nfs/dbraw/zinc/20/14/39/814201439.db2.gz SRPAEEBPSQIGJA-JTQLQIEISA-N 1 0 261.329 -0.741 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001132954813 814202309 /nfs/dbraw/zinc/20/23/09/814202309.db2.gz SAOMMVXPVSKDJG-NXEZZACHSA-N 1 0 270.308 -0.530 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1ccoc1CC(N)=O ZINC001132947383 814203368 /nfs/dbraw/zinc/20/33/68/814203368.db2.gz OTPWYIJSMQPLGA-UHFFFAOYSA-N 1 0 251.286 -0.187 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C ZINC001133077374 814213655 /nfs/dbraw/zinc/21/36/55/814213655.db2.gz JOOJJVBJBWYCTD-MNOVXSKESA-N 1 0 251.330 -0.431 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C ZINC001133077647 814214051 /nfs/dbraw/zinc/21/40/51/814214051.db2.gz MERCQGMLRIKJQC-RYUDHWBXSA-N 1 0 283.372 -0.252 20 30 CBEDRO COC1CCC(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001133085951 814215498 /nfs/dbraw/zinc/21/54/98/814215498.db2.gz PHCOGKBOZJDGNW-UHFFFAOYSA-N 1 0 296.371 -0.463 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H](OC)C1 ZINC001133083842 814215823 /nfs/dbraw/zinc/21/58/23/814215823.db2.gz WAQSQTKERDGVET-OLZOCXBDSA-N 1 0 295.383 -0.353 20 30 CBEDRO Cc1ncccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133103123 814215882 /nfs/dbraw/zinc/21/58/82/814215882.db2.gz OCHJRNSJLNONSC-UHFFFAOYSA-N 1 0 275.312 -0.651 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001133154641 814221216 /nfs/dbraw/zinc/22/12/16/814221216.db2.gz ODZWJNMQLARGTQ-SECBINFHSA-N 1 0 270.333 -0.368 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cnnn2)CC[C@@H]1C ZINC001133204117 814229467 /nfs/dbraw/zinc/22/94/67/814229467.db2.gz FQVIMCCYSGJZKH-QWHCGFSZSA-N 1 0 290.371 -0.229 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)C(N)=O)c(F)c1 ZINC001133206374 814231898 /nfs/dbraw/zinc/23/18/98/814231898.db2.gz NLFZPXDPXQOCHT-UHFFFAOYSA-N 1 0 264.260 -0.612 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1conc1C ZINC001133236710 814232867 /nfs/dbraw/zinc/23/28/67/814232867.db2.gz LRNBUBXXTMUNOW-JTQLQIEISA-N 1 0 280.328 -0.007 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1conc1C ZINC001133236711 814233372 /nfs/dbraw/zinc/23/33/72/814233372.db2.gz LRNBUBXXTMUNOW-SNVBAGLBSA-N 1 0 280.328 -0.007 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133741019 814291604 /nfs/dbraw/zinc/29/16/04/814291604.db2.gz KVFXMJJYFUSHSL-QWRGUYRKSA-N 1 0 253.346 -0.029 20 30 CBEDRO CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133417206 814251957 /nfs/dbraw/zinc/25/19/57/814251957.db2.gz ARNPHKQZDYJBOC-UWVGGRQHSA-N 1 0 254.334 -0.091 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC1 ZINC001133441490 814253613 /nfs/dbraw/zinc/25/36/13/814253613.db2.gz CGYUBGQEVXEAAG-UWVGGRQHSA-N 1 0 266.345 -0.091 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C(F)F ZINC001133443009 814253963 /nfs/dbraw/zinc/25/39/63/814253963.db2.gz LHYYWVIKTRMDHS-HTQZYQBOSA-N 1 0 276.287 -0.236 20 30 CBEDRO COCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133462082 814257185 /nfs/dbraw/zinc/25/71/85/814257185.db2.gz RDCMJTCMAYTCPW-ZJUUUORDSA-N 1 0 270.333 -0.855 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C)c1C ZINC001133491082 814263723 /nfs/dbraw/zinc/26/37/23/814263723.db2.gz BQYBYRIBMMAQFL-UHFFFAOYSA-N 1 0 276.340 -0.598 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001133566115 814273253 /nfs/dbraw/zinc/27/32/53/814273253.db2.gz VWXBFEGVUKGCRA-JTQLQIEISA-N 1 0 296.371 -0.107 20 30 CBEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133565912 814273420 /nfs/dbraw/zinc/27/34/20/814273420.db2.gz NLTAKBWSQUSCJF-UHFFFAOYSA-N 1 0 294.355 -0.400 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133614508 814276765 /nfs/dbraw/zinc/27/67/65/814276765.db2.gz HAUBUBKBVSWLIJ-NXEZZACHSA-N 1 0 250.306 -0.821 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001133619856 814277408 /nfs/dbraw/zinc/27/74/08/814277408.db2.gz NHFIYNJOSUHAML-RYUDHWBXSA-N 1 0 294.359 -0.804 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133619998 814278273 /nfs/dbraw/zinc/27/82/73/814278273.db2.gz PJXYXYVMHVOMKJ-GHMZBOCLSA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CCc1cc(C)on1 ZINC001133667198 814283250 /nfs/dbraw/zinc/28/32/50/814283250.db2.gz AXHKEOWHIYCJBT-UHFFFAOYSA-N 1 0 292.339 -0.629 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CSCC#N ZINC001133736166 814290588 /nfs/dbraw/zinc/29/05/88/814290588.db2.gz LLAMEUXDGWNAEK-DTWKUNHWSA-N 1 0 272.374 -0.399 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791635 814296403 /nfs/dbraw/zinc/29/64/03/814296403.db2.gz WEODWXLYFWIXTH-QWHCGFSZSA-N 1 0 293.367 -0.505 20 30 CBEDRO COCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133793632 814298114 /nfs/dbraw/zinc/29/81/14/814298114.db2.gz HTUUAUTUKPMGKT-NWDGAFQWSA-N 1 0 298.387 -0.074 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001133807799 814298299 /nfs/dbraw/zinc/29/82/99/814298299.db2.gz PHWIVLLXNCRRNM-WDEREUQCSA-N 1 0 291.355 -0.354 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1ccon1)[NH2+]CC(=O)NCC#N ZINC001133815868 814300145 /nfs/dbraw/zinc/30/01/45/814300145.db2.gz FXDKIDGVAIDKHW-ZJUUUORDSA-N 1 0 293.327 -0.199 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001133826722 814303147 /nfs/dbraw/zinc/30/31/47/814303147.db2.gz VGYUNZYNFBNADM-WDEREUQCSA-N 1 0 291.355 -0.354 20 30 CBEDRO CCCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133900923 814322978 /nfs/dbraw/zinc/32/29/78/814322978.db2.gz OVXGAPRERLSLFN-NWDGAFQWSA-N 1 0 298.387 -0.074 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001133910328 814324726 /nfs/dbraw/zinc/32/47/26/814324726.db2.gz YUMGKAGEILJASU-VHSXEESVSA-N 1 0 257.334 -0.453 20 30 CBEDRO C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943270 814328033 /nfs/dbraw/zinc/32/80/33/814328033.db2.gz MBCMHZDKOWXYEI-SFYZADRCSA-N 1 0 290.161 -0.278 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1cocn1 ZINC001133943868 814328097 /nfs/dbraw/zinc/32/80/97/814328097.db2.gz ZCJPOMAAJZKWLY-NXEZZACHSA-N 1 0 293.327 -0.199 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]c(C)nc1C ZINC001133995929 814335698 /nfs/dbraw/zinc/33/56/98/814335698.db2.gz PEXFHPZKDNTVPT-JTQLQIEISA-N 1 0 291.355 -0.516 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)[NH2+]CC(N)=O ZINC001134014267 814336707 /nfs/dbraw/zinc/33/67/07/814336707.db2.gz OUVURTNSVWFUTA-BDAKNGLRSA-N 1 0 277.328 -0.142 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1cc(C#N)c[nH]1 ZINC001134014270 814337058 /nfs/dbraw/zinc/33/70/58/814337058.db2.gz OUVURTNSVWFUTA-RKDXNWHRSA-N 1 0 277.328 -0.142 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1ccc(C)n1 ZINC001134002156 814337907 /nfs/dbraw/zinc/33/79/07/814337907.db2.gz LNQYPOZMAXZKRM-UHFFFAOYSA-N 1 0 279.344 -0.800 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134021385 814340479 /nfs/dbraw/zinc/34/04/79/814340479.db2.gz AAMZGRLAUAFYCB-WDEREUQCSA-N 1 0 269.345 -0.616 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1OCC[C@H]1C ZINC001134031340 814344985 /nfs/dbraw/zinc/34/49/85/814344985.db2.gz JYYMNZFXGNZBNP-UTUOFQBUSA-N 1 0 283.372 -0.192 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C=C ZINC001134062412 814348937 /nfs/dbraw/zinc/34/89/37/814348937.db2.gz ZOGGFXSEUUDRMG-XQQFMLRXSA-N 1 0 295.383 -0.026 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102765 814353155 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C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134352575 814375116 /nfs/dbraw/zinc/37/51/16/814375116.db2.gz RIVWDKKPXGIYMZ-GHMZBOCLSA-N 1 0 291.417 -0.015 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351778 814375171 /nfs/dbraw/zinc/37/51/71/814375171.db2.gz JSDYJGXPDZYPSN-WDEREUQCSA-N 1 0 289.401 -0.568 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)C#CC1CC1)[NH2+]Cc1nnnn1C ZINC001134326317 814375712 /nfs/dbraw/zinc/37/57/12/814375712.db2.gz PCDMTHXROQVJRD-MNOVXSKESA-N 1 0 290.371 -0.004 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134380010 814378473 /nfs/dbraw/zinc/37/84/73/814378473.db2.gz LXNHCXQGTDMLMB-VXGBXAGGSA-N 1 0 294.359 -0.804 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398421 814379394 /nfs/dbraw/zinc/37/93/94/814379394.db2.gz AUCCDXAYTKVJCP-ZJUUUORDSA-N 1 0 294.359 -0.564 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001134398419 814380736 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CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134514980 814391830 /nfs/dbraw/zinc/39/18/30/814391830.db2.gz QXMVCUQESPUHBB-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001134514978 814392970 /nfs/dbraw/zinc/39/29/70/814392970.db2.gz QXMVCUQESPUHBB-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO CNC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134524842 814393670 /nfs/dbraw/zinc/39/36/70/814393670.db2.gz RSRQNNVFQGJZEQ-NWDGAFQWSA-N 1 0 298.387 -0.562 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134525041 814394013 /nfs/dbraw/zinc/39/40/13/814394013.db2.gz VJCVHYQJKGCMIG-GHMZBOCLSA-N 1 0 268.361 -0.188 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnoc1CC ZINC001134552276 814396003 /nfs/dbraw/zinc/39/60/03/814396003.db2.gz SOKOXMPBMIWQRN-JTQLQIEISA-N 1 0 292.339 -0.306 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C2CC2)no1 ZINC001134537849 814396249 /nfs/dbraw/zinc/39/62/49/814396249.db2.gz HFWBGFVJJGZHOH-UHFFFAOYSA-N 1 0 290.323 -0.379 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134601244 814398042 /nfs/dbraw/zinc/39/80/42/814398042.db2.gz CRWYPKVNYSVHOX-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001134618914 814399781 /nfs/dbraw/zinc/39/97/81/814399781.db2.gz QGZIOJZUMYMMOD-OLZOCXBDSA-N 1 0 295.383 -0.366 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134602817 814400254 /nfs/dbraw/zinc/40/02/54/814400254.db2.gz OONUUTOVRLQYMS-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134667320 814407726 /nfs/dbraw/zinc/40/77/26/814407726.db2.gz FMABCPGAKHBYLJ-UHFFFAOYSA-N 1 0 294.355 -0.630 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001134670170 814408339 /nfs/dbraw/zinc/40/83/39/814408339.db2.gz VZOIATPXAQFWDB-UHFFFAOYSA-N 1 0 292.401 -0.282 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001134741379 814410145 /nfs/dbraw/zinc/41/01/45/814410145.db2.gz MZRQDKOGXWCMLG-NEPJUHHUSA-N 1 0 265.357 -0.122 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134787001 814413258 /nfs/dbraw/zinc/41/32/58/814413258.db2.gz HQYMFKHYGSRHKV-VXGBXAGGSA-N 1 0 293.371 -0.522 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cscn1 ZINC001134865961 814419372 /nfs/dbraw/zinc/41/93/72/814419372.db2.gz LJMXTAWRAZKKRM-SNVBAGLBSA-N 1 0 294.380 -0.471 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001134874293 814420038 /nfs/dbraw/zinc/42/00/38/814420038.db2.gz FUNGWBFUBLLXSM-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001134911118 814422990 /nfs/dbraw/zinc/42/29/90/814422990.db2.gz JPSQNXNJQRZUPF-LBPRGKRZSA-N 1 0 269.345 -0.887 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(COC)on1 ZINC001134911177 814423601 /nfs/dbraw/zinc/42/36/01/814423601.db2.gz LYHCVEZDTJQBKN-UHFFFAOYSA-N 1 0 281.312 -0.210 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H](C)COC)nn1 ZINC001134973595 814427411 /nfs/dbraw/zinc/42/74/11/814427411.db2.gz YKKYXRZLYSBNKY-JTQLQIEISA-N 1 0 267.333 -0.182 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]C[C@@H](C)OC)nn1 ZINC001134970403 814427781 /nfs/dbraw/zinc/42/77/81/814427781.db2.gz VVJXWXYGRSCYQJ-SNVBAGLBSA-N 1 0 267.333 -0.182 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)nn1 ZINC001134969361 814427998 /nfs/dbraw/zinc/42/79/98/814427998.db2.gz GWBAZQNLCQLQSI-SNVBAGLBSA-N 1 0 292.343 -0.938 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2cncn2C)nn1 ZINC001134980668 814429034 /nfs/dbraw/zinc/42/90/34/814429034.db2.gz IMPNBUGZVVOJJP-UHFFFAOYSA-N 1 0 289.343 -0.283 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]Cc2cnnn2C)nn1 ZINC001134980911 814429046 /nfs/dbraw/zinc/42/90/46/814429046.db2.gz NMVICZQMMVILOQ-UHFFFAOYSA-N 1 0 290.331 -0.888 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001134977297 814429197 /nfs/dbraw/zinc/42/91/97/814429197.db2.gz LPXWYMUUYCVNKN-NSHDSACASA-N 1 0 291.417 -0.158 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)Cn1nnnc1C(C)C ZINC001135002051 814429586 /nfs/dbraw/zinc/42/95/86/814429586.db2.gz WAAVGYDCYIJAKW-UHFFFAOYSA-N 1 0 264.333 -0.474 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCc1cn[nH]c1 ZINC001135050258 814430499 /nfs/dbraw/zinc/43/04/99/814430499.db2.gz ZICBYEWSGFELIZ-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C=CCCn1cc(C(=O)NCC[NH2+]CC#CCOC)nn1 ZINC001135075781 814435815 /nfs/dbraw/zinc/43/58/15/814435815.db2.gz ZBNKSEBHKITQIN-UHFFFAOYSA-N 1 0 291.355 -0.177 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001135089463 814437872 /nfs/dbraw/zinc/43/78/72/814437872.db2.gz AGUSQERTNFRVOV-KGYLQXTDSA-N 1 0 277.368 -0.124 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001135145252 814441410 /nfs/dbraw/zinc/44/14/10/814441410.db2.gz DUNPYQMBXMWALR-TUAOUCFPSA-N 1 0 283.372 -0.063 20 30 CBEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135176293 814442805 /nfs/dbraw/zinc/44/28/05/814442805.db2.gz NCTRMBRMTVHFSN-RYUDHWBXSA-N 1 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816931957 /nfs/dbraw/zinc/93/19/57/816931957.db2.gz YKHGROPPSAFEGL-DTORHVGOSA-N 1 0 293.352 -0.862 20 30 CBEDRO COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001317107718 816932671 /nfs/dbraw/zinc/93/26/71/816932671.db2.gz NZQIORPNUBPBPC-GRYCIOLGSA-N 1 0 279.340 -0.848 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001317112080 816932712 /nfs/dbraw/zinc/93/27/12/816932712.db2.gz DCSXCJGWTSLDLW-AOOOYVTPSA-N 1 0 275.374 -0.652 20 30 CBEDRO Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001317107106 816933383 /nfs/dbraw/zinc/93/33/83/816933383.db2.gz JJLZRTNDKVCVDK-TXEJJXNPSA-N 1 0 289.339 -0.485 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001317117391 816934247 /nfs/dbraw/zinc/93/42/47/816934247.db2.gz SUOLHGJVZHBHDP-OUAUKWLOSA-N 1 0 289.401 -0.134 20 30 CBEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001317144341 816935740 /nfs/dbraw/zinc/93/57/40/816935740.db2.gz RTYKOHMDDKVUIR-LLVKDONJSA-N 1 0 261.329 -0.191 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001317129972 816935841 /nfs/dbraw/zinc/93/58/41/816935841.db2.gz ZSHSFAXICIIRAH-GARJFASQSA-N 1 0 277.324 -0.701 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001317127048 816935986 /nfs/dbraw/zinc/93/59/86/816935986.db2.gz AOQSDHVGZVFCEB-QWHCGFSZSA-N 1 0 290.367 -0.276 20 30 CBEDRO C=CCCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001317129271 816936426 /nfs/dbraw/zinc/93/64/26/816936426.db2.gz XEJXRXNMJJSQBY-AOOOYVTPSA-N 1 0 298.343 -0.989 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001317129973 816936436 /nfs/dbraw/zinc/93/64/36/816936436.db2.gz ZSHSFAXICIIRAH-MXWKQRLJSA-N 1 0 277.324 -0.701 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001317147165 816937131 /nfs/dbraw/zinc/93/71/31/816937131.db2.gz WFSAKWOLNPFMNV-QWHCGFSZSA-N 1 0 266.341 -0.137 20 30 CBEDRO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001317151176 816937409 /nfs/dbraw/zinc/93/74/09/816937409.db2.gz SNYOEAZAGKZAJI-NEPJUHHUSA-N 1 0 279.340 -0.054 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001317199736 816939987 /nfs/dbraw/zinc/93/99/87/816939987.db2.gz MZJLRPOUNNJNRV-VXGBXAGGSA-N 1 0 299.396 -0.718 20 30 CBEDRO COC[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317228511 816943887 /nfs/dbraw/zinc/94/38/87/816943887.db2.gz IGPSGMIUQMTZHM-VHSXEESVSA-N 1 0 270.333 -0.997 20 30 CBEDRO COC[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317228507 816944086 /nfs/dbraw/zinc/94/40/86/816944086.db2.gz IGPSGMIUQMTZHM-NXEZZACHSA-N 1 0 270.333 -0.997 20 30 CBEDRO C[C@@H](CNC(=O)[C@@H]1CC1(C)C)[NH2+]CC(=O)NCC#N ZINC001317238671 816948047 /nfs/dbraw/zinc/94/80/47/816948047.db2.gz NAGIGELZGQEHNW-UWVGGRQHSA-N 1 0 266.345 -0.233 20 30 CBEDRO C[C@@H](CNC(=O)C#CC1CC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001317237994 816948149 /nfs/dbraw/zinc/94/81/49/816948149.db2.gz DGGQLYWXTKMMRL-GXTWGEPZSA-N 1 0 290.367 -0.248 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C#CC1CC1 ZINC001317240539 816948186 /nfs/dbraw/zinc/94/81/86/816948186.db2.gz XVINQOAKYCSNEZ-CMPLNLGQSA-N 1 0 254.330 -0.499 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cncn1C ZINC001317248985 816950896 /nfs/dbraw/zinc/95/08/96/816950896.db2.gz BKCOAGUWXPHMLR-MNOVXSKESA-N 1 0 291.355 -0.734 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cncn1C ZINC001317248986 816950977 /nfs/dbraw/zinc/95/09/77/816950977.db2.gz BKCOAGUWXPHMLR-QWRGUYRKSA-N 1 0 291.355 -0.734 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001317251680 816950995 /nfs/dbraw/zinc/95/09/95/816950995.db2.gz BPOAXPDSWXEKQO-JTQLQIEISA-N 1 0 285.311 -0.602 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001317254644 816951079 /nfs/dbraw/zinc/95/10/79/816951079.db2.gz OFGPDNYZUPTWKQ-ZJUUUORDSA-N 1 0 277.328 -0.726 20 30 CBEDRO C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)[NH2+]CC(=O)NCC#N ZINC001317257090 816951704 /nfs/dbraw/zinc/95/17/04/816951704.db2.gz QYHFRYZXAXLRJN-JTNHKYCSSA-N 1 0 278.356 -0.089 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001317259019 816951801 /nfs/dbraw/zinc/95/18/01/816951801.db2.gz WBNYHNPVFSARIC-GFCCVEGCSA-N 1 0 282.388 -0.569 20 30 CBEDRO C[C@H](CNC(=O)Cc1ccccc1)[NH2+]CC(=O)NCC#N ZINC001317255941 816951988 /nfs/dbraw/zinc/95/19/88/816951988.db2.gz QEVOHQVBNNTKHI-GFCCVEGCSA-N 1 0 288.351 -0.037 20 30 CBEDRO C[C@@H](CNC(=O)Cc1ccccc1)[NH2+]CC(=O)NCC#N ZINC001317255946 816952346 /nfs/dbraw/zinc/95/23/46/816952346.db2.gz QEVOHQVBNNTKHI-LBPRGKRZSA-N 1 0 288.351 -0.037 20 30 CBEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317260511 816952380 /nfs/dbraw/zinc/95/23/80/816952380.db2.gz ZMKIJQRPOJTWFT-UWVGGRQHSA-N 1 0 282.344 -0.355 20 30 CBEDRO COc1nc(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)co1 ZINC001317257778 816952402 /nfs/dbraw/zinc/95/24/02/816952402.db2.gz RUZDQMVDDBGYEV-QMMMGPOBSA-N 1 0 295.299 -0.969 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001317258035 816952442 /nfs/dbraw/zinc/95/24/42/816952442.db2.gz HKAPZCCOUUNUDW-SECBINFHSA-N 1 0 272.308 -0.083 20 30 CBEDRO Cc1c(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)ccn1C ZINC001317267767 816954557 /nfs/dbraw/zinc/95/45/57/816954557.db2.gz VNOKARXZGKEJFK-JTQLQIEISA-N 1 0 291.355 -0.319 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC ZINC001317270963 816954616 /nfs/dbraw/zinc/95/46/16/816954616.db2.gz NDIJEYROAAEVDN-AXFHLTTASA-N 1 0 269.345 -0.582 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC ZINC001317270964 816954665 /nfs/dbraw/zinc/95/46/65/816954665.db2.gz NDIJEYROAAEVDN-MXWKQRLJSA-N 1 0 269.345 -0.582 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O)nn1 ZINC001317269443 816955067 /nfs/dbraw/zinc/95/50/67/816955067.db2.gz HNPZATKNLKNJAR-IUCAKERBSA-N 1 0 280.332 -0.954 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](COC)OC ZINC001317266771 816955153 /nfs/dbraw/zinc/95/51/53/816955153.db2.gz RKTKPPKKOVJWJL-NWDGAFQWSA-N 1 0 272.345 -0.608 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001317276165 816955959 /nfs/dbraw/zinc/95/59/59/816955959.db2.gz NXODUTYPTUVKCR-NSHDSACASA-N 1 0 293.371 -0.339 20 30 CBEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001317273953 816956436 /nfs/dbraw/zinc/95/64/36/816956436.db2.gz AJGOWYKISFWAOR-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)CCCn1cncn1 ZINC001317277542 816956498 /nfs/dbraw/zinc/95/64/98/816956498.db2.gz VSKITGPMCLQEQA-CYBMUJFWSA-N 1 0 293.371 -0.198 20 30 CBEDRO C=CCOCC[NH2+][C@@H](C)CNC(=O)c1cnon1 ZINC001317277367 816956688 /nfs/dbraw/zinc/95/66/88/816956688.db2.gz RQEQYQDXEWEVCA-VIFPVBQESA-N 1 0 254.290 -0.020 20 30 CBEDRO C=CCC[NH2+][C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001317281941 816957182 /nfs/dbraw/zinc/95/71/82/816957182.db2.gz DOQNDUNSOPMSCR-SNVBAGLBSA-N 1 0 267.329 -0.194 20 30 CBEDRO CCc1cc(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)no1 ZINC001317283246 816957226 /nfs/dbraw/zinc/95/72/26/816957226.db2.gz LYFGXCQFGSEBIM-VIFPVBQESA-N 1 0 293.327 -0.415 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC)nc1 ZINC001317280321 816957378 /nfs/dbraw/zinc/95/73/78/816957378.db2.gz QVSIJEZQMGISBR-MNOVXSKESA-N 1 0 288.351 -0.095 20 30 CBEDRO CCn1nc(C)c(C(=O)NC[C@H](C)[NH2+]CC#CCOC)n1 ZINC001317288876 816959077 /nfs/dbraw/zinc/95/90/77/816959077.db2.gz JCYUJQSVMPGTCU-NSHDSACASA-N 1 0 293.371 -0.036 20 30 CBEDRO C=CCCOCC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001317289214 816959113 /nfs/dbraw/zinc/95/91/13/816959113.db2.gz NFMJPXOLVFZAHD-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCCOCC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001317289215 816959215 /nfs/dbraw/zinc/95/92/15/816959215.db2.gz NFMJPXOLVFZAHD-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001317287105 816959347 /nfs/dbraw/zinc/95/93/47/816959347.db2.gz YBVXILVZTABJCY-RYUDHWBXSA-N 1 0 255.362 -0.013 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CNC(=O)c1cnn(C)c1OC ZINC001317285413 816959428 /nfs/dbraw/zinc/95/94/28/816959428.db2.gz TUGARWFHEQYIAO-LLVKDONJSA-N 1 0 294.355 -0.214 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001317296948 816960282 /nfs/dbraw/zinc/96/02/82/816960282.db2.gz OSIHMLSCOBZXDF-JTQLQIEISA-N 1 0 258.343 -0.755 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001317293679 816960697 /nfs/dbraw/zinc/96/06/97/816960697.db2.gz KPSYWEQLMXCOMV-PWSUYJOCSA-N 1 0 296.371 -0.996 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001317298474 816961854 /nfs/dbraw/zinc/96/18/54/816961854.db2.gz BPOSGWQIVRZTCC-NSHDSACASA-N 1 0 277.328 -0.731 20 30 CBEDRO CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001317298468 816961924 /nfs/dbraw/zinc/96/19/24/816961924.db2.gz BKRKTJSUJHTFSH-NSHDSACASA-N 1 0 292.339 -0.954 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001317310678 816962794 /nfs/dbraw/zinc/96/27/94/816962794.db2.gz NXRYPQFQVNNCOM-CYBMUJFWSA-N 1 0 277.368 -0.026 20 30 CBEDRO C=CCCOCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001317310963 816963211 /nfs/dbraw/zinc/96/32/11/816963211.db2.gz FMVFWVWQTJFADI-JTQLQIEISA-N 1 0 255.318 -0.745 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001317307599 816963359 /nfs/dbraw/zinc/96/33/59/816963359.db2.gz HHMOMVBAZBWDBT-ZDUSSCGKSA-N 1 0 290.367 -0.197 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001317318194 816964278 /nfs/dbraw/zinc/96/42/78/816964278.db2.gz VQUYPUQXPCRKDO-ZDUSSCGKSA-N 1 0 265.357 -0.074 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001317311536 816964301 /nfs/dbraw/zinc/96/43/01/816964301.db2.gz UQODHTOGTWEHCR-JTQLQIEISA-N 1 0 293.327 -0.516 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001317316842 816964426 /nfs/dbraw/zinc/96/44/26/816964426.db2.gz MWFYMEBJAADCFS-NSHDSACASA-N 1 0 250.298 -0.054 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001317321700 816965736 /nfs/dbraw/zinc/96/57/36/816965736.db2.gz VIWQSZTVRBEJKM-LLVKDONJSA-N 1 0 268.361 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CC[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]CC(=O)N(C)C ZINC001318505999 817115214 /nfs/dbraw/zinc/11/52/14/817115214.db2.gz DNOMYSSJXFULHU-ZJUUUORDSA-N 1 0 254.334 -0.281 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)CN(C)C(C)=O ZINC001318504230 817115632 /nfs/dbraw/zinc/11/56/32/817115632.db2.gz SXDJCLWLCOXEDP-GFCCVEGCSA-N 1 0 253.346 -0.028 20 30 CBEDRO CC[C@@H](CNC(=O)CCNC(=O)NC)[NH2+]CC#CCOC ZINC001318518309 817118552 /nfs/dbraw/zinc/11/85/52/817118552.db2.gz KOYSHVQVFOCTSM-LBPRGKRZSA-N 1 0 298.387 -0.560 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@H](CC)[NH2+]CC(=O)NC ZINC001318525075 817119901 /nfs/dbraw/zinc/11/99/01/817119901.db2.gz SLFRIXUOSJXOKP-QWRGUYRKSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001318530712 817119910 /nfs/dbraw/zinc/11/99/10/817119910.db2.gz QLOHAUKDBMFLSS-WDEREUQCSA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[NH2+][C@H](CC)CNC(=O)CN(C)C(=O)COC ZINC001318527374 817120250 /nfs/dbraw/zinc/12/02/50/817120250.db2.gz COWAMZDQJGJCIJ-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/12/54/36/817125436.db2.gz BFZTYIPRXOJVMY-RYUDHWBXSA-N 1 0 290.371 -0.257 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)c1cn(C)c(=O)n1C ZINC001318603755 817126254 /nfs/dbraw/zinc/12/62/54/817126254.db2.gz BDCBGYXEGGHJLK-JTQLQIEISA-N 1 0 264.329 -0.545 20 30 CBEDRO C#CC[NH2+][C@@H](CC)CNC(=O)CCCN1C(=O)CNC1=O ZINC001318602297 817126454 /nfs/dbraw/zinc/12/64/54/817126454.db2.gz PYNYUICWEBUISU-NSHDSACASA-N 1 0 294.355 -0.564 20 30 CBEDRO C=CC[NH2+]CC1(NC(=O)Cn2cnnn2)CCCC1 ZINC001318613429 817127567 /nfs/dbraw/zinc/12/75/67/817127567.db2.gz NFVXJASBDNEEAB-UHFFFAOYSA-N 1 0 264.333 -0.122 20 30 CBEDRO COCC#CC[NH2+]CC1(NC(=O)CC(N)=O)CCCC1 ZINC001318622902 817128773 /nfs/dbraw/zinc/12/87/73/817128773.db2.gz DILDDNVMADBYQI-UHFFFAOYSA-N 1 0 281.356 -0.470 20 30 CBEDRO Cn1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC001318640545 817130384 /nfs/dbraw/zinc/13/03/84/817130384.db2.gz GDHCONSQJGPJHS-UHFFFAOYSA-N 1 0 291.311 -0.796 20 30 CBEDRO C[C@H](CNC(=O)CCNC(=O)C1N=CC=CC1=O)[NH+](C)C ZINC001318978346 817155362 /nfs/dbraw/zinc/15/53/62/817155362.db2.gz GUQJHVXUBVQSCC-YAWLZAOSSA-N 1 0 294.355 -0.031 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)OC ZINC001319054657 817161988 /nfs/dbraw/zinc/16/19/88/817161988.db2.gz BFFFRQLMYMMDIZ-LLVKDONJSA-N 1 0 267.329 -0.054 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)C(N)=O ZINC001319081040 817164675 /nfs/dbraw/zinc/16/46/75/817164675.db2.gz ULXOLBJNNPRWPK-SNVBAGLBSA-N 1 0 251.330 -0.288 20 30 CBEDRO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001319104967 817165709 /nfs/dbraw/zinc/16/57/09/817165709.db2.gz XIMIPQWEIOUSFE-IJLUTSLNSA-N 1 0 278.356 -0.137 20 30 CBEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001319119315 817167473 /nfs/dbraw/zinc/16/74/73/817167473.db2.gz PMFYUMCPQJPRJA-LLVKDONJSA-N 1 0 264.333 -0.170 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC1 ZINC001319150384 817169418 /nfs/dbraw/zinc/16/94/18/817169418.db2.gz ROTCAHDKQGBYBQ-JTQLQIEISA-N 1 0 296.371 -0.250 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)CNC(=O)CN1CCCC1=O ZINC001319158455 817170730 /nfs/dbraw/zinc/17/07/30/817170730.db2.gz UDPFWBKZUNCNOH-LBPRGKRZSA-N 1 0 265.357 -0.026 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)C1=COCCO1 ZINC001319153280 817170815 /nfs/dbraw/zinc/17/08/15/817170815.db2.gz GGTVWZFDGXTHOK-LBPRGKRZSA-N 1 0 282.340 -0.134 20 30 CBEDRO C=CCCC(=O)NC[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001319166875 817171987 /nfs/dbraw/zinc/17/19/87/817171987.db2.gz HFIQHVDJLRYUJL-NXEZZACHSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCOC1 ZINC001319164956 817172172 /nfs/dbraw/zinc/17/21/72/817172172.db2.gz NBZYCMJHQXRPKU-NEPJUHHUSA-N 1 0 283.372 -0.333 20 30 CBEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001319186038 817175057 /nfs/dbraw/zinc/17/50/57/817175057.db2.gz PBHVAZNHBNRIPT-VHSXEESVSA-N 1 0 256.350 -0.039 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)CO[C@H]1CCOC1 ZINC001319185139 817175142 /nfs/dbraw/zinc/17/51/42/817175142.db2.gz FVQIEYUNGMQISW-KBPBESRZSA-N 1 0 298.383 -0.216 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319216532 817177036 /nfs/dbraw/zinc/17/70/36/817177036.db2.gz CJRCLQLJYBMXOU-UPJWGTAASA-N 1 0 295.383 -0.225 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001319207551 817177388 /nfs/dbraw/zinc/17/73/88/817177388.db2.gz TVQUXSIXBKGHIR-VXGBXAGGSA-N 1 0 265.357 -0.122 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001319207401 817177535 /nfs/dbraw/zinc/17/75/35/817177535.db2.gz TVQUXSIXBKGHIR-NEPJUHHUSA-N 1 0 265.357 -0.122 20 30 CBEDRO C[C@@H](CNC(=O)Cc1cnoc1)C[NH2+]CC(=O)NCC#N ZINC001319228013 817177957 /nfs/dbraw/zinc/17/79/57/817177957.db2.gz FJPLUHXQYNIRQB-SNVBAGLBSA-N 1 0 293.327 -0.801 20 30 CBEDRO C#CC[NH2+]C[C@H](C)CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001319257750 817182133 /nfs/dbraw/zinc/18/21/33/817182133.db2.gz MMCHYSTUHYTXOA-NSHDSACASA-N 1 0 286.397 -0.071 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CO[C@@H]2CCOC2)CC1 ZINC001319370140 817196537 /nfs/dbraw/zinc/19/65/37/817196537.db2.gz UIQDVUNJLDSBLL-LLVKDONJSA-N 1 0 267.329 -0.104 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)OC ZINC001319429532 817201510 /nfs/dbraw/zinc/20/15/10/817201510.db2.gz INKXMSUKZYIICU-VXGBXAGGSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)OC ZINC001319429531 817202022 /nfs/dbraw/zinc/20/20/22/817202022.db2.gz INKXMSUKZYIICU-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CSCC#N ZINC001319423081 817202697 /nfs/dbraw/zinc/20/26/97/817202697.db2.gz IYSPQPLRWZNPKR-WDEREUQCSA-N 1 0 298.412 -0.042 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)COC(C)(C)C ZINC001319449071 817206895 /nfs/dbraw/zinc/20/68/95/817206895.db2.gz UOTOAXRFXHWYGI-LLVKDONJSA-N 1 0 298.387 -0.122 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCS1(=O)=O ZINC001319465304 817207471 /nfs/dbraw/zinc/20/74/71/817207471.db2.gz DMHLLKUQPWGFTR-LLVKDONJSA-N 1 0 289.401 -0.356 20 30 CBEDRO CCC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001319462069 817207557 /nfs/dbraw/zinc/20/75/57/817207557.db2.gz GERSAPUKXSRBMR-QWHCGFSZSA-N 1 0 297.399 -0.013 20 30 CBEDRO CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001319462070 817207602 /nfs/dbraw/zinc/20/76/02/817207602.db2.gz GERSAPUKXSRBMR-STQMWFEESA-N 1 0 297.399 -0.013 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001319513540 817213299 /nfs/dbraw/zinc/21/32/99/817213299.db2.gz BJPWATZMCROUSK-QWHCGFSZSA-N 1 0 295.383 -0.449 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001319534757 817216199 /nfs/dbraw/zinc/21/61/99/817216199.db2.gz STFTWGBMWPHRRE-NEPJUHHUSA-N 1 0 290.371 -0.305 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001319541827 817217127 /nfs/dbraw/zinc/21/71/27/817217127.db2.gz XCAKUTOZRXGWKC-UWVGGRQHSA-N 1 0 280.328 -0.956 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1nc2ncccn2n1 ZINC001319550098 817218751 /nfs/dbraw/zinc/21/87/51/817218751.db2.gz WHDGFWBPFJPKHQ-SNVBAGLBSA-N 1 0 272.312 -0.192 20 30 CBEDRO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O)nc1 ZINC001319562744 817220010 /nfs/dbraw/zinc/22/00/10/817220010.db2.gz MXGBJWGEQFEYTO-MNOVXSKESA-N 1 0 288.351 -0.013 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CN1C(=O)CCC1=O ZINC001319576574 817220797 /nfs/dbraw/zinc/22/07/97/817220797.db2.gz DGUHFXOWWMPQKT-NSHDSACASA-N 1 0 279.340 -0.405 20 30 CBEDRO C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001319633066 817228243 /nfs/dbraw/zinc/22/82/43/817228243.db2.gz CWCFWUHJKFESEO-RWMBFGLXSA-N 1 0 295.383 -0.227 20 30 CBEDRO C#CC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)CC1CC1 ZINC001319666121 817231788 /nfs/dbraw/zinc/23/17/88/817231788.db2.gz DBCLQPPGYNPERA-UHFFFAOYSA-N 1 0 261.325 -0.071 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001319671658 817232276 /nfs/dbraw/zinc/23/22/76/817232276.db2.gz CORBCOLGDSLORT-YPMHNXCESA-N 1 0 265.357 -0.076 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001319683056 817233070 /nfs/dbraw/zinc/23/30/70/817233070.db2.gz NQJGIMZFXXNUKV-RYUDHWBXSA-N 1 0 276.344 -0.477 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)C1CS(=O)(=O)C1)C(C)C ZINC001319915553 817254417 /nfs/dbraw/zinc/25/44/17/817254417.db2.gz KYZDYLXOZGGOCI-LLVKDONJSA-N 1 0 274.386 -0.053 20 30 CBEDRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC001319960924 817259925 /nfs/dbraw/zinc/25/99/25/817259925.db2.gz PGKPIZKBOCRUIZ-SECBINFHSA-N 1 0 278.316 -0.589 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001320007407 817267459 /nfs/dbraw/zinc/26/74/59/817267459.db2.gz ONQHLZJXCQFVFG-NSHDSACASA-N 1 0 279.340 -0.453 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001320009408 817267891 /nfs/dbraw/zinc/26/78/91/817267891.db2.gz IQMGXFQQIUVUGD-UHFFFAOYSA-N 1 0 253.346 -0.089 20 30 CBEDRO C=CCC[N@@H+](C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001320029251 817270333 /nfs/dbraw/zinc/27/03/33/817270333.db2.gz VJAZSPMYMCSCEB-UHFFFAOYSA-N 1 0 295.387 -0.062 20 30 CBEDRO CC(C)(CO)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001320052329 817273931 /nfs/dbraw/zinc/27/39/31/817273931.db2.gz LXMAVDKABSARBV-UHFFFAOYSA-N 1 0 254.334 -0.985 20 30 CBEDRO C#CCC[N@H+]1CC[C@H]2CN(C(=O)CCNC(N)=O)CC[C@H]21 ZINC001320116842 817279612 /nfs/dbraw/zinc/27/96/12/817279612.db2.gz ULKBULQWJSKRCB-QWHCGFSZSA-N 1 0 292.383 -0.009 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001320155277 817282858 /nfs/dbraw/zinc/28/28/58/817282858.db2.gz RJJKWMWLIUSEEZ-WDEREUQCSA-N 1 0 269.345 -0.451 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(N)=O ZINC001320155274 817283431 /nfs/dbraw/zinc/28/34/31/817283431.db2.gz RJJKWMWLIUSEEZ-GHMZBOCLSA-N 1 0 269.345 -0.451 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001320184075 817286083 /nfs/dbraw/zinc/28/60/83/817286083.db2.gz DKWTVNVETHJYMC-CYBMUJFWSA-N 1 0 279.340 -0.034 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CCCCC1 ZINC001320189322 817287680 /nfs/dbraw/zinc/28/76/80/817287680.db2.gz VNCYJJJJNHQEAH-ZDUSSCGKSA-N 1 0 295.383 -0.617 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001320188852 817287767 /nfs/dbraw/zinc/28/77/67/817287767.db2.gz SRBJBLNXNMKEEU-OLZOCXBDSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC1 ZINC001320190413 817287810 /nfs/dbraw/zinc/28/78/10/817287810.db2.gz WTEYPLFGPMNJQU-ONGXEEELSA-N 1 0 269.345 -0.846 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCc1ccnn1C ZINC001320202201 817290398 /nfs/dbraw/zinc/29/03/98/817290398.db2.gz NYKFWEGERISFFG-JQWIXIFHSA-N 1 0 279.344 -0.811 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)COC1CCCC1 ZINC001320202532 817290820 /nfs/dbraw/zinc/29/08/20/817290820.db2.gz SAPXRMLEVIHEFT-ZDUSSCGKSA-N 1 0 298.383 -0.338 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001320204332 817291333 /nfs/dbraw/zinc/29/13/33/817291333.db2.gz XSWLTNGVUNUQFC-LBPRGKRZSA-N 1 0 266.345 -0.015 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001320213419 817292973 /nfs/dbraw/zinc/29/29/73/817292973.db2.gz FWPNAUTXUSUMJT-SNVBAGLBSA-N 1 0 267.333 -0.538 20 30 CBEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001320215228 817294598 /nfs/dbraw/zinc/29/45/98/817294598.db2.gz QVHYKBCLSAUSAJ-WDEREUQCSA-N 1 0 281.360 -0.150 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001320216390 817295576 /nfs/dbraw/zinc/29/55/76/817295576.db2.gz YDRHFPJPYHXXOZ-SECBINFHSA-N 1 0 253.306 -0.929 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1CC(C)C1 ZINC001320216273 817295715 /nfs/dbraw/zinc/29/57/15/817295715.db2.gz LQZNFCROMDYIOR-BPCQOVAHSA-N 1 0 268.357 -0.251 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CCOCC1CC1 ZINC001320218266 817296218 /nfs/dbraw/zinc/29/62/18/817296218.db2.gz REXAXCHLCLKDHN-CQSZACIVSA-N 1 0 280.368 -0.107 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001320217424 817296317 /nfs/dbraw/zinc/29/63/17/817296317.db2.gz OCRDPBFMRIUWFK-VXGBXAGGSA-N 1 0 283.372 -0.811 20 30 CBEDRO C[C@@H](O)CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001320219084 817296806 /nfs/dbraw/zinc/29/68/06/817296806.db2.gz ZCSDOWGQUBYVEJ-PWSUYJOCSA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2nccnc2c1 ZINC001320234629 817299459 /nfs/dbraw/zinc/29/94/59/817299459.db2.gz KWWLYVYGDUFQAR-LLVKDONJSA-N 1 0 285.307 -0.662 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)c1cnc[nH]c1=O ZINC001320239008 817301061 /nfs/dbraw/zinc/30/10/61/817301061.db2.gz TYKDEFWGQLGXAV-SNVBAGLBSA-N 1 0 280.328 -0.171 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1CC(OC)C1 ZINC001320237849 817301213 /nfs/dbraw/zinc/30/12/13/817301213.db2.gz MKMGGNHLYQMENG-MOENNCHZSA-N 1 0 254.330 -0.499 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(CC)ccn1 ZINC001320235730 817301267 /nfs/dbraw/zinc/30/12/67/817301267.db2.gz ZSSUCUIWZDDUSO-LBPRGKRZSA-N 1 0 261.325 -0.043 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C1CC(OC)C1 ZINC001320237847 817301450 /nfs/dbraw/zinc/30/14/50/817301450.db2.gz MKMGGNHLYQMENG-CXQJBGSLSA-N 1 0 254.330 -0.499 20 30 CBEDRO C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001320237302 817301836 /nfs/dbraw/zinc/30/18/36/817301836.db2.gz HVANYBZUWUFYIC-WFASDCNBSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c[nH]nc1CCC ZINC001320241964 817302702 /nfs/dbraw/zinc/30/27/02/817302702.db2.gz JEQPXNBBVOPFRC-SNVBAGLBSA-N 1 0 264.329 -0.324 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cncc(CC)c1 ZINC001320250624 817303906 /nfs/dbraw/zinc/30/39/06/817303906.db2.gz RNPUQMQYGKTEEO-ZDUSSCGKSA-N 1 0 261.325 -0.043 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001320249020 817304056 /nfs/dbraw/zinc/30/40/56/817304056.db2.gz WTWLIFQHVFXKJZ-VIFPVBQESA-N 1 0 266.301 -0.649 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc(Cl)n(C)n1 ZINC001320247615 817304106 /nfs/dbraw/zinc/30/41/06/817304106.db2.gz RZGROQLNAWHLJT-QMMMGPOBSA-N 1 0 270.720 -0.613 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001320246218 817304135 /nfs/dbraw/zinc/30/41/35/817304135.db2.gz PCZAPCPCWMZVEA-CHWSQXEVSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001320248677 817304447 /nfs/dbraw/zinc/30/44/47/817304447.db2.gz GNQBOGREFSOXJM-GFCCVEGCSA-N 1 0 277.324 -0.337 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001320250628 817304621 /nfs/dbraw/zinc/30/46/21/817304621.db2.gz RSPUSHNCTFIUHQ-QKFSQAGISA-N 1 0 264.325 -0.890 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c(C)nn(C)c1C ZINC001320257371 817304956 /nfs/dbraw/zinc/30/49/56/817304956.db2.gz HXYGHGBWWDKSCQ-ZDUSSCGKSA-N 1 0 292.383 -0.331 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1nc(C)no1 ZINC001320259754 817306530 /nfs/dbraw/zinc/30/65/30/817306530.db2.gz ONWQXOMRGRNBBN-SNVBAGLBSA-N 1 0 268.317 -0.437 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001320259105 817307085 /nfs/dbraw/zinc/30/70/85/817307085.db2.gz OSFAUQRSNVVMNO-NXEZZACHSA-N 1 0 271.361 -0.600 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1cnoc1 ZINC001320262883 817308262 /nfs/dbraw/zinc/30/82/62/817308262.db2.gz JKMGTHACXCDJLC-NSHDSACASA-N 1 0 251.286 -0.693 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320262417 817308502 /nfs/dbraw/zinc/30/85/02/817308502.db2.gz IKYTUUGTKSFRQQ-NDBYEHHHSA-N 1 0 268.357 -0.088 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001320270371 817309330 /nfs/dbraw/zinc/30/93/30/817309330.db2.gz LMAPSMYHRNZYDF-SECBINFHSA-N 1 0 268.317 -0.618 20 30 CBEDRO C=CCCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001320270002 817309406 /nfs/dbraw/zinc/30/94/06/817309406.db2.gz GHFWWCXNZQAFTJ-VXGBXAGGSA-N 1 0 283.372 -0.312 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)CC ZINC001320270031 817310135 /nfs/dbraw/zinc/31/01/35/817310135.db2.gz GSVQDAAFVIEMFS-LLVKDONJSA-N 1 0 283.372 -0.761 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@H](O)C[NH2+][C@@H](C)COC)c1 ZINC001320274770 817311014 /nfs/dbraw/zinc/31/10/14/817311014.db2.gz ROUOSTJNHFPGGH-SMDDNHRTSA-N 1 0 291.351 -0.222 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+][C@H](C)COC)c1 ZINC001320274766 817311021 /nfs/dbraw/zinc/31/10/21/817311021.db2.gz ROUOSTJNHFPGGH-RISCZKNCSA-N 1 0 291.351 -0.222 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001320273739 817311867 /nfs/dbraw/zinc/31/18/67/817311867.db2.gz OGSFFKNMEKBCCX-LLVKDONJSA-N 1 0 256.346 -0.208 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001320282929 817312979 /nfs/dbraw/zinc/31/29/79/817312979.db2.gz LIPQFLNVTSIJHU-CMPLNLGQSA-N 1 0 264.329 -0.712 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CCC)c1 ZINC001320282938 817313049 /nfs/dbraw/zinc/31/30/49/817313049.db2.gz LJMIAQWXAUCTIJ-LBPRGKRZSA-N 1 0 264.329 -0.393 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)nc1C ZINC001320285861 817314233 /nfs/dbraw/zinc/31/42/33/817314233.db2.gz GDBZRRXWDZDXCN-GFCCVEGCSA-N 1 0 276.340 -0.203 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001320286557 817314329 /nfs/dbraw/zinc/31/43/29/817314329.db2.gz LRTNLGQVUVABEP-LLVKDONJSA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C(=O)N1CCC(C)CC1 ZINC001320284201 817314836 /nfs/dbraw/zinc/31/48/36/817314836.db2.gz TZUBQLMMZWMDGR-CYBMUJFWSA-N 1 0 295.383 -0.665 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001320293572 817317122 /nfs/dbraw/zinc/31/71/22/817317122.db2.gz WITXSYJHGMTQSZ-YPMHNXCESA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001320295685 817317732 /nfs/dbraw/zinc/31/77/32/817317732.db2.gz MGIIWHKTBKNVJF-CYBMUJFWSA-N 1 0 276.340 -0.393 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001320296593 817318339 /nfs/dbraw/zinc/31/83/39/817318339.db2.gz TUMPDGCHXIWWNB-STQMWFEESA-N 1 0 295.383 -0.665 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001320300876 817318544 /nfs/dbraw/zinc/31/85/44/817318544.db2.gz CBYWJNDTIGKFKU-GFCCVEGCSA-N 1 0 279.340 -0.509 20 30 CBEDRO C=C[C@H](COC)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001320303498 817319358 /nfs/dbraw/zinc/31/93/58/817319358.db2.gz ZLXLHZRGWMNPGM-NEPJUHHUSA-N 1 0 270.377 -0.268 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(C)=O ZINC001320317066 817320530 /nfs/dbraw/zinc/32/05/30/817320530.db2.gz KSPOZXFNZRZMQZ-NXEZZACHSA-N 1 0 284.360 -0.109 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(C)=O ZINC001320317068 817320686 /nfs/dbraw/zinc/32/06/86/817320686.db2.gz KSPOZXFNZRZMQZ-VHSXEESVSA-N 1 0 284.360 -0.109 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001320317128 817320699 /nfs/dbraw/zinc/32/06/99/817320699.db2.gz LVIAWWNKLDXBLC-LLVKDONJSA-N 1 0 280.328 -0.952 20 30 CBEDRO N#CCNC[C@@H](O)CNC(=O)CCC[NH+]1CCCC1 ZINC001320317178 817321207 /nfs/dbraw/zinc/32/12/07/817321207.db2.gz PJUPLLSBCGAJNU-GFCCVEGCSA-N 1 0 268.361 -0.547 20 30 CBEDRO Cc1n[nH]cc1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC#N ZINC001320512949 817348488 /nfs/dbraw/zinc/34/84/88/817348488.db2.gz QYXMSBOEMFXVJL-VIFPVBQESA-N 1 0 292.343 -0.544 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cnon1 ZINC001320583217 817358303 /nfs/dbraw/zinc/35/83/03/817358303.db2.gz ZXJYHNDRLPHFJH-NXEZZACHSA-N 1 0 295.343 -0.142 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ccncn1 ZINC001320582517 817358518 /nfs/dbraw/zinc/35/85/18/817358518.db2.gz STLCQSPMTMVLJX-JTQLQIEISA-N 1 0 290.327 -0.786 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001320588377 817359528 /nfs/dbraw/zinc/35/95/28/817359528.db2.gz VJHZQLSJFXEIAU-SNVBAGLBSA-N 1 0 252.322 -0.266 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001320647106 817367625 /nfs/dbraw/zinc/36/76/25/817367625.db2.gz SFRWQESCZFPIBL-STQMWFEESA-N 1 0 267.373 -0.175 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CCCO1 ZINC001320683890 817374860 /nfs/dbraw/zinc/37/48/60/817374860.db2.gz RVPZRTGWGATENB-LBPRGKRZSA-N 1 0 296.371 -0.367 20 30 CBEDRO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H](C)C#N ZINC001320694142 817375985 /nfs/dbraw/zinc/37/59/85/817375985.db2.gz BZQMACFDPVRIIU-NSHDSACASA-N 1 0 264.333 -0.124 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)c1cnn(C)c1N ZINC001320716630 817380798 /nfs/dbraw/zinc/38/07/98/817380798.db2.gz KACXSFTZXLVEFP-UHFFFAOYSA-N 1 0 293.371 -0.296 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)c1cnnn1CC ZINC001320724547 817381085 /nfs/dbraw/zinc/38/10/85/817381085.db2.gz MRAWMWDAOUQHDJ-UHFFFAOYSA-N 1 0 293.371 -0.001 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NC)C(=O)c1ccc(C#N)[nH]1 ZINC001320715837 817381879 /nfs/dbraw/zinc/38/18/79/817381879.db2.gz XGTCOYADIHXFOD-UHFFFAOYSA-N 1 0 277.328 -0.316 20 30 CBEDRO C=CCO[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC001320897741 817407824 /nfs/dbraw/zinc/40/78/24/817407824.db2.gz GEZNYMNKVMZHKV-SNVBAGLBSA-N 1 0 253.302 -0.185 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)c1nccnc1C(N)=O ZINC001320912505 817409823 /nfs/dbraw/zinc/40/98/23/817409823.db2.gz HFLYDUHQTQTXFF-UHFFFAOYSA-N 1 0 289.339 -0.350 20 30 CBEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)C(N)=O)c1C#N ZINC001320952308 817415052 /nfs/dbraw/zinc/41/50/52/817415052.db2.gz IYJIWEDRIJDNBC-UHFFFAOYSA-N 1 0 292.343 -0.117 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)CCC(=O)NCC ZINC001321002337 817427763 /nfs/dbraw/zinc/42/77/63/817427763.db2.gz WJSNMUJNWCZVED-WAYWQWQTSA-N 1 0 251.330 -0.202 20 30 CBEDRO C[NH+]1CCN(C2CN(C(=O)CSCC#N)C2)CC1 ZINC001321036272 817432226 /nfs/dbraw/zinc/43/22/26/817432226.db2.gz ASULLGKGRGPXMR-UHFFFAOYSA-N 1 0 268.386 -0.299 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)C[C@@H](C)NC(N)=O ZINC001321058060 817436571 /nfs/dbraw/zinc/43/65/71/817436571.db2.gz WCOZONBEXQMLEL-ISALQUGTSA-N 1 0 266.345 -0.281 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)c1cccn2nnnc12 ZINC001321077780 817439655 /nfs/dbraw/zinc/43/96/55/817439655.db2.gz JAFHIMIXFWMXMQ-ARJAWSKDSA-N 1 0 270.296 -0.367 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC(=O)N1 ZINC001321114425 817443982 /nfs/dbraw/zinc/44/39/82/817443982.db2.gz XZUFOCCYTAEYHL-QMAVJUDZSA-N 1 0 263.341 -0.060 20 30 CBEDRO C=CC[NH2+]C/C=C/CNC(=O)CC1CS(=O)(=O)C1 ZINC001321126760 817444547 /nfs/dbraw/zinc/44/45/47/817444547.db2.gz QBTAFTRKCVSUOH-ONEGZZNKSA-N 1 0 272.370 -0.131 20 30 CBEDRO C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001321146491 817448987 /nfs/dbraw/zinc/44/89/87/817448987.db2.gz VVAIVYTVKWWOME-VSQXVHSFSA-N 1 0 278.356 -0.328 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC ZINC001321252923 817468905 /nfs/dbraw/zinc/46/89/05/817468905.db2.gz QHBSOUOCTSHZPO-RVAOTSRCSA-N 1 0 281.356 -0.415 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)CCCS(C)(=O)=O ZINC001321288249 817474271 /nfs/dbraw/zinc/47/42/71/817474271.db2.gz DFPQNCNHVWMLGC-SNAWJCMRSA-N 1 0 272.370 -0.294 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)c1nc2ncccn2n1 ZINC001321300458 817475743 /nfs/dbraw/zinc/47/57/43/817475743.db2.gz IUEBIFGYXFKLJW-ONEGZZNKSA-N 1 0 270.296 -0.367 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCO[C@@H]1C ZINC001321308131 817479230 /nfs/dbraw/zinc/47/92/30/817479230.db2.gz SQXVWDGRKIZFDE-DIABFLQPSA-N 1 0 293.367 -0.577 20 30 CBEDRO 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268.361 -0.202 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)CCCC(=O)N(C)C ZINC001171451509 820360137 /nfs/dbraw/zinc/36/01/37/820360137.db2.gz NOWMQVFJFDJPLE-UHFFFAOYSA-N 1 0 297.399 -0.009 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1ccc(N(C)C)nn1 ZINC001171431014 820360280 /nfs/dbraw/zinc/36/02/80/820360280.db2.gz RWUWJSNHNTVVOQ-UHFFFAOYSA-N 1 0 261.329 -0.115 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001171589610 820362900 /nfs/dbraw/zinc/36/29/00/820362900.db2.gz HDZLUEKBKUCOLP-UHFFFAOYSA-N 1 0 299.334 -0.588 20 30 CBEDRO C#Cc1ccc(C(=O)NCCC[NH2+]CC(=O)NCC)nc1 ZINC001171585226 820362994 /nfs/dbraw/zinc/36/29/94/820362994.db2.gz NCINPMUGAFVDFQ-UHFFFAOYSA-N 1 0 288.351 -0.092 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001171628534 820366719 /nfs/dbraw/zinc/36/67/19/820366719.db2.gz ZYBHYZSGBKPCOB-AWEZNQCLSA-N 1 0 295.383 -0.257 20 30 CBEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1C ZINC001172358497 820394152 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CC#CC[NH2+]CCCNC(=O)CNC(=O)c1ccccn1 ZINC001176807866 820457875 /nfs/dbraw/zinc/45/78/75/820457875.db2.gz JPRQSAKPZYKHOK-UHFFFAOYSA-N 1 0 288.351 -0.069 20 30 CBEDRO CCS(=O)(=O)CC(=O)NCCC[NH2+]CC#CCOC ZINC001176953026 820483136 /nfs/dbraw/zinc/48/31/36/820483136.db2.gz DXQZAUTVYZVKIC-UHFFFAOYSA-N 1 0 290.385 -0.833 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H](C)CS(C)(=O)=O ZINC001177069418 820490635 /nfs/dbraw/zinc/49/06/35/820490635.db2.gz MOUPTAJBTIZGPK-NSHDSACASA-N 1 0 274.386 -0.214 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n1C ZINC001177108261 820491971 /nfs/dbraw/zinc/49/19/71/820491971.db2.gz QQIMGXNYNHXPEW-UHFFFAOYSA-N 1 0 264.329 -0.543 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)c1cn(C)c(=O)n1C ZINC001177103517 820492792 /nfs/dbraw/zinc/49/27/92/820492792.db2.gz KBLJJRUJELFOHF-UHFFFAOYSA-N 1 0 252.318 -0.381 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001177273025 820500644 /nfs/dbraw/zinc/50/06/44/820500644.db2.gz FJJVKJVFAMHIOV-LBPRGKRZSA-N 1 0 298.387 -0.301 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001177264342 820500845 /nfs/dbraw/zinc/50/08/45/820500845.db2.gz CTISPHAHVWJJDQ-UHFFFAOYSA-N 1 0 297.359 -0.703 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001177264593 820500968 /nfs/dbraw/zinc/50/09/68/820500968.db2.gz PRVVMYIBXASINL-LBPRGKRZSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001177273489 820501420 /nfs/dbraw/zinc/50/14/20/820501420.db2.gz QPHZLOIHMZLIEN-WDEREUQCSA-N 1 0 271.361 -0.192 20 30 CBEDRO C=CCO[C@@H](C)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001177273267 820501847 /nfs/dbraw/zinc/50/18/47/820501847.db2.gz LMYBNYXTVPABSX-WDEREUQCSA-N 1 0 269.345 -0.438 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001177277449 820503274 /nfs/dbraw/zinc/50/32/74/820503274.db2.gz SDTRJAYINGEBEN-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO CO/N=C(\C(=O)NC1(C[NH3+])COC1)c1ccco1 ZINC001177354031 820505812 /nfs/dbraw/zinc/50/58/12/820505812.db2.gz ZKKBGDBUVFPDQF-ZROIWOOFSA-N 1 0 253.258 -0.526 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001177447167 820520982 /nfs/dbraw/zinc/52/09/82/820520982.db2.gz IDRBDOGVZQLTTA-NSHDSACASA-N 1 0 266.345 -0.351 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)CCc1cn(C)nn1 ZINC001177517113 820524877 /nfs/dbraw/zinc/52/48/77/820524877.db2.gz AYJZHPXQUUAUCZ-UHFFFAOYSA-N 1 0 263.345 -0.133 20 30 CBEDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001177563762 820526205 /nfs/dbraw/zinc/52/62/05/820526205.db2.gz CJYCDYCTTMJGGW-UHFFFAOYSA-N 1 0 278.316 -0.933 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177600467 820527640 /nfs/dbraw/zinc/52/76/40/820527640.db2.gz CQSFPYRNNIZUSX-JTQLQIEISA-N 1 0 267.329 -0.289 20 30 CBEDRO C=CC[NH+]1CCC(NCc2cn(CC(N)=O)nn2)CC1 ZINC001177683488 820532836 /nfs/dbraw/zinc/53/28/36/820532836.db2.gz FWHBMGGFSFCWFI-UHFFFAOYSA-N 1 0 278.360 -0.497 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCOC)[C@H]1C ZINC001178012558 820554314 /nfs/dbraw/zinc/55/43/14/820554314.db2.gz VWPJSIKJHCLBAB-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COCC)[C@H]1C ZINC001178076996 820558692 /nfs/dbraw/zinc/55/86/92/820558692.db2.gz KLOQTEGQODKBQR-AGIUHOORSA-N 1 0 295.383 -0.260 20 30 CBEDRO CC(C)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178134440 820565888 /nfs/dbraw/zinc/56/58/88/820565888.db2.gz DGPVLTFTMRUQPQ-QWRGUYRKSA-N 1 0 266.345 -0.139 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)c1cn[nH]c1 ZINC001178175497 820567320 /nfs/dbraw/zinc/56/73/20/820567320.db2.gz WZZWSRAWEFSBKU-ONGXEEELSA-N 1 0 290.327 -0.758 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C ZINC001178203156 820569568 /nfs/dbraw/zinc/56/95/68/820569568.db2.gz SRYLGUMMUPHKOI-JQWIXIFHSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)CN1CN=NC1=O ZINC001178266998 820570546 /nfs/dbraw/zinc/57/05/46/820570546.db2.gz SGHWBPYZKCWCDV-UHFFFAOYSA-N 1 0 279.344 -0.117 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)[C@H]1C ZINC001178226422 820571183 /nfs/dbraw/zinc/57/11/83/820571183.db2.gz RLTWCADKPDLSGK-VOAKCMCISA-N 1 0 295.383 -0.262 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001178339059 820575277 /nfs/dbraw/zinc/57/52/77/820575277.db2.gz SAQFGJNQENORPK-AVGNSLFASA-N 1 0 286.372 -0.225 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001178338691 820575458 /nfs/dbraw/zinc/57/54/58/820575458.db2.gz HZNZHQALICOXAU-SDDRHHMPSA-N 1 0 281.356 -0.344 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001178351541 820576796 /nfs/dbraw/zinc/57/67/96/820576796.db2.gz PVTIUBYYBMNYMU-YFKTTZPYSA-N 1 0 269.345 -0.268 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001178351539 820577795 /nfs/dbraw/zinc/57/77/95/820577795.db2.gz PVTIUBYYBMNYMU-KXNHARMFSA-N 1 0 269.345 -0.268 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H]1C ZINC001178489018 820583539 /nfs/dbraw/zinc/58/35/39/820583539.db2.gz PVUSBYFAXAGXOQ-IHRRRGAJSA-N 1 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820594695 /nfs/dbraw/zinc/59/46/95/820594695.db2.gz JFWBNDYUXYALAV-TUAOUCFPSA-N 1 0 281.356 -0.650 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)[C@@H]1C ZINC001178681717 820595482 /nfs/dbraw/zinc/59/54/82/820595482.db2.gz JUZLYWQFZKXHCO-RWMBFGLXSA-N 1 0 293.367 -0.506 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCS(=O)(=O)NC)[C@H]1C ZINC001178699066 820596387 /nfs/dbraw/zinc/59/63/87/820596387.db2.gz HFDRPGJHDRHKDN-QWRGUYRKSA-N 1 0 289.401 -0.309 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)[C@@H]1C ZINC001178684678 820596707 /nfs/dbraw/zinc/59/67/07/820596707.db2.gz FYARKLSOXKZLJA-AVGNSLFASA-N 1 0 295.383 -0.131 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716530 820598105 /nfs/dbraw/zinc/59/81/05/820598105.db2.gz SBEHKVLHDLCIHI-QWRGUYRKSA-N 1 0 262.317 -0.725 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001178719496 820598669 /nfs/dbraw/zinc/59/86/69/820598669.db2.gz KOHISXAZKYLEAI-NSHDSACASA-N 1 0 294.355 -0.516 20 30 CBEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)[C@H]1C ZINC001178767407 820599908 /nfs/dbraw/zinc/59/99/08/820599908.db2.gz BNFDWZDFPLDVNE-WOPDTQHZSA-N 1 0 283.372 -0.098 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)[C@H]1C ZINC001178768344 820600018 /nfs/dbraw/zinc/60/00/18/820600018.db2.gz SPGBXCDAAOLJKC-AVGNSLFASA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CN(C)C(=O)COC)[C@H]1C ZINC001178831866 820602130 /nfs/dbraw/zinc/60/21/30/820602130.db2.gz BQOWSFWPBUEHGV-STQMWFEESA-N 1 0 295.383 -0.307 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)[C@H]1C ZINC001179178841 820620643 /nfs/dbraw/zinc/62/06/43/820620643.db2.gz BBQCAWNNSICDHX-RYUDHWBXSA-N 1 0 288.351 -0.004 20 30 CBEDRO C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001179239377 820621683 /nfs/dbraw/zinc/62/16/83/820621683.db2.gz DTGFMQWGWZVMMN-LBPRGKRZSA-N 1 0 280.372 -0.091 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300562 820623219 /nfs/dbraw/zinc/62/32/19/820623219.db2.gz PCRBWJVGZJPKNX-XQQFMLRXSA-N 1 0 293.367 -0.649 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300561 820623707 /nfs/dbraw/zinc/62/37/07/820623707.db2.gz PCRBWJVGZJPKNX-AVGNSLFASA-N 1 0 293.367 -0.649 20 30 CBEDRO CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001179417187 820627687 /nfs/dbraw/zinc/62/76/87/820627687.db2.gz ZPJLTIUBQIEEBH-LBPRGKRZSA-N 1 0 280.372 -0.043 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001179617660 820636611 /nfs/dbraw/zinc/63/66/11/820636611.db2.gz KRZSJPXMUVFKDD-DCAQKATOSA-N 1 0 292.339 -0.813 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC001180091534 820650232 /nfs/dbraw/zinc/65/02/32/820650232.db2.gz BERGASNLCZACGK-RYUDHWBXSA-N 1 0 291.351 -0.262 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180091547 820650547 /nfs/dbraw/zinc/65/05/47/820650547.db2.gz BYBLPHWKZRHBMX-RYUDHWBXSA-N 1 0 261.329 -0.120 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180091882 820650567 /nfs/dbraw/zinc/65/05/67/820650567.db2.gz KAXHYIMXDGHAAY-QWRGUYRKSA-N 1 0 266.345 -0.353 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC001180143711 820651947 /nfs/dbraw/zinc/65/19/47/820651947.db2.gz RGLZGFGVLKCTFF-SRVKXCTJSA-N 1 0 299.396 -0.720 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)NC)[C@H]1C ZINC001180156886 820652503 /nfs/dbraw/zinc/65/25/03/820652503.db2.gz LBUCNAQXHHJAEI-QWRGUYRKSA-N 1 0 289.401 -0.309 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001180268645 820665646 /nfs/dbraw/zinc/66/56/46/820665646.db2.gz DRLLZYZSAYSWRS-AXFHLTTASA-N 1 0 269.345 -0.358 20 30 CBEDRO C=CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001180264106 820665837 /nfs/dbraw/zinc/66/58/37/820665837.db2.gz CWKBOANCXLBODQ-SRVKXCTJSA-N 1 0 283.372 -0.098 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)[C@H]1C ZINC001180325361 820668370 /nfs/dbraw/zinc/66/83/70/820668370.db2.gz RTNPXVHAWKYANA-SRVKXCTJSA-N 1 0 291.351 -0.359 20 30 CBEDRO CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001180376074 820672345 /nfs/dbraw/zinc/67/23/45/820672345.db2.gz AALOKNZAGQGGTG-ZWNOBZJWSA-N 1 0 266.345 -0.280 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001180558547 820693363 /nfs/dbraw/zinc/69/33/63/820693363.db2.gz YQCOMVWYLYEKKA-SNVBAGLBSA-N 1 0 268.317 -0.791 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001180562638 820693477 /nfs/dbraw/zinc/69/34/77/820693477.db2.gz HBEHFVUQWIPQSB-GXSJLCMTSA-N 1 0 282.344 -0.403 20 30 CBEDRO C[C@H](C#N)N(C)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180609966 820699283 /nfs/dbraw/zinc/69/92/83/820699283.db2.gz BEMQQDCVPWTGQD-SNVBAGLBSA-N 1 0 266.345 -0.056 20 30 CBEDRO CC(F)(F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180634854 820702779 /nfs/dbraw/zinc/70/27/79/820702779.db2.gz PJBPOCWLAYOTLE-MRVPVSSYSA-N 1 0 274.271 -0.528 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001180635313 820703549 /nfs/dbraw/zinc/70/35/49/820703549.db2.gz XNYOFSMOAVNHRR-SECBINFHSA-N 1 0 273.283 -0.419 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001180687378 820709007 /nfs/dbraw/zinc/70/90/07/820709007.db2.gz CJHSFXQVBAROQW-SNVBAGLBSA-N 1 0 276.296 -0.277 20 30 CBEDRO CC(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001180701235 820711166 /nfs/dbraw/zinc/71/11/66/820711166.db2.gz PGZQJVJHXHCUHR-LLVKDONJSA-N 1 0 266.345 -0.137 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180780379 820726702 /nfs/dbraw/zinc/72/67/02/820726702.db2.gz LVQOZTZCRYLWTD-CQSZACIVSA-N 1 0 289.335 -0.226 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC)C1 ZINC001180805038 820728763 /nfs/dbraw/zinc/72/87/63/820728763.db2.gz YOQYGPRDVKVBJT-VXGBXAGGSA-N 1 0 281.356 -0.649 20 30 CBEDRO C[C@@H](C(=O)N1CCN(c2nccnc2C#N)CC1)[NH+](C)C ZINC001180864571 820735122 /nfs/dbraw/zinc/73/51/22/820735122.db2.gz 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ZINC001180986854 820744630 /nfs/dbraw/zinc/74/46/30/820744630.db2.gz HYDIEZKNRXQUPR-LLVKDONJSA-N 1 0 289.339 -0.531 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)C)C1 ZINC001181020847 820750892 /nfs/dbraw/zinc/75/08/92/820750892.db2.gz DNRUFYRWSFUHJH-VXGBXAGGSA-N 1 0 265.357 -0.029 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181076690 820751879 /nfs/dbraw/zinc/75/18/79/820751879.db2.gz STIYLWDSJGHBMV-VXGBXAGGSA-N 1 0 252.314 -0.384 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181083077 820753236 /nfs/dbraw/zinc/75/32/36/820753236.db2.gz YGPLVMRSVJRUGT-SNVBAGLBSA-N 1 0 277.328 -0.484 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181098384 820755169 /nfs/dbraw/zinc/75/51/69/820755169.db2.gz VEFXJZFDDFFJQI-GHMZBOCLSA-N 1 0 291.355 -0.096 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181098096 820755384 /nfs/dbraw/zinc/75/53/84/820755384.db2.gz RZPMQYTZMPUIQJ-WDEREUQCSA-N 1 0 289.339 -0.648 20 30 CBEDRO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001181107050 820755467 /nfs/dbraw/zinc/75/54/67/820755467.db2.gz PVPVWSODIKDPGS-GHMZBOCLSA-N 1 0 287.385 -0.559 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181138007 820760861 /nfs/dbraw/zinc/76/08/61/820760861.db2.gz JOTKFDQPWYUMCK-GFCCVEGCSA-N 1 0 251.330 -0.322 20 30 CBEDRO CCOCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181198948 820764956 /nfs/dbraw/zinc/76/49/56/820764956.db2.gz NYLHTHGJFVGNPD-GFCCVEGCSA-N 1 0 296.371 -0.367 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cncs2)C1 ZINC001181278729 820770798 /nfs/dbraw/zinc/77/07/98/820770798.db2.gz BXZBBXICDFGDMY-SNVBAGLBSA-N 1 0 292.364 -0.303 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181301702 820773950 /nfs/dbraw/zinc/77/39/50/820773950.db2.gz IGKVGVXVYKYJDF-SNVBAGLBSA-N 1 0 253.302 -0.444 20 30 CBEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181323842 820775549 /nfs/dbraw/zinc/77/55/49/820775549.db2.gz ATKHPTRIAJURDJ-SNVBAGLBSA-N 1 0 260.359 -0.202 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001181427200 820787362 /nfs/dbraw/zinc/78/73/62/820787362.db2.gz IWWDHUDNSOSEIB-LLVKDONJSA-N 1 0 291.355 -0.474 20 30 CBEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181419420 820787824 /nfs/dbraw/zinc/78/78/24/820787824.db2.gz DMGMDGVUFAPZAR-IAQYHMDHSA-N 1 0 277.368 -0.041 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC001181487967 820790521 /nfs/dbraw/zinc/79/05/21/820790521.db2.gz OTLJIGZIUJBMQE-CYBMUJFWSA-N 1 0 291.351 -0.379 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001181502641 820790582 /nfs/dbraw/zinc/79/05/82/820790582.db2.gz RZVAPJTVJLMUIZ-CHWSQXEVSA-N 1 0 293.367 -0.647 20 30 CBEDRO CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001181533541 820795193 /nfs/dbraw/zinc/79/51/93/820795193.db2.gz YVSYMRSQLFKPLE-TZMCWYRMSA-N 1 0 290.371 -0.229 20 30 CBEDRO CCOCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001181550919 820797094 /nfs/dbraw/zinc/79/70/94/820797094.db2.gz UYJYGKNHNSJJIL-LLVKDONJSA-N 1 0 282.344 -0.757 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)OC)C1 ZINC001181569598 820799483 /nfs/dbraw/zinc/79/94/83/820799483.db2.gz OAZCWVFYYKINEU-NWDGAFQWSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)OC)C1 ZINC001181569599 820799558 /nfs/dbraw/zinc/79/95/58/820799558.db2.gz OAZCWVFYYKINEU-VXGBXAGGSA-N 1 0 281.356 -0.649 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001181608333 820802087 /nfs/dbraw/zinc/80/20/87/820802087.db2.gz CXZIYFRXWXPDHF-SECBINFHSA-N 1 0 277.284 -0.882 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001181652269 820807622 /nfs/dbraw/zinc/80/76/22/820807622.db2.gz LCHTUASQZHYUIK-WDEREUQCSA-N 1 0 264.329 -0.361 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001181690791 820811291 /nfs/dbraw/zinc/81/12/91/820811291.db2.gz STHKAOZPTHYLRF-GFCCVEGCSA-N 1 0 283.372 -0.094 20 30 CBEDRO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001181877815 820835799 /nfs/dbraw/zinc/83/57/99/820835799.db2.gz CLCTXNNYUSTBSX-NEPJUHHUSA-N 1 0 292.339 -0.302 20 30 CBEDRO N#Cc1c(N)nn(C(=O)[C@H]2C[NH+]3CCC2CC3)c1N ZINC001182008770 820848975 /nfs/dbraw/zinc/84/89/75/820848975.db2.gz MFLZSWJDCAQRIQ-VIFPVBQESA-N 1 0 260.301 -0.099 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001182033934 820856237 /nfs/dbraw/zinc/85/62/37/820856237.db2.gz MYVDEHAYCGHSTB-CHWSQXEVSA-N 1 0 293.367 -0.505 20 30 CBEDRO CCOC(=O)[C@@H](C#N)NC(=O)C1(O)CC[NH+](C)CC1 ZINC001182035711 820858831 /nfs/dbraw/zinc/85/88/31/820858831.db2.gz BEARMRHIPVDWFF-SECBINFHSA-N 1 0 269.301 -0.985 20 30 CBEDRO COc1ccc(C#CC(=O)N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001182044592 820859867 /nfs/dbraw/zinc/85/98/67/820859867.db2.gz AWLFZCVLNFEIMX-UHFFFAOYSA-N 1 0 296.348 -0.206 20 30 CBEDRO CC[C@H](C)OCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182073515 820860396 /nfs/dbraw/zinc/86/03/96/820860396.db2.gz GFIUSMNTQLOFPX-NWDGAFQWSA-N 1 0 296.371 -0.368 20 30 CBEDRO CS[C@@H](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182097744 820871453 /nfs/dbraw/zinc/87/14/53/820871453.db2.gz QVCOKNCAPNAQPI-WDEREUQCSA-N 1 0 298.412 -0.042 20 30 CBEDRO N#Cc1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)c[nH]1 ZINC001182120690 820873655 /nfs/dbraw/zinc/87/36/55/820873655.db2.gz FBPMOHXIJLKACP-GFCCVEGCSA-N 1 0 292.339 -0.301 20 30 CBEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CCO)NC(C)=O ZINC001182137094 820879322 /nfs/dbraw/zinc/87/93/22/820879322.db2.gz FLZDQSPOKKGZDV-QWHCGFSZSA-N 1 0 283.372 -0.360 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC001182187498 820889124 /nfs/dbraw/zinc/88/91/24/820889124.db2.gz FOGHJCKOASASLB-CYBMUJFWSA-N 1 0 296.367 -0.020 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001182215368 820890685 /nfs/dbraw/zinc/89/06/85/820890685.db2.gz RNDUIDOHUXEKJU-MBNYWOFBSA-N 1 0 286.372 -0.489 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001182215366 820891309 /nfs/dbraw/zinc/89/13/09/820891309.db2.gz RNDUIDOHUXEKJU-BZPMIXESSA-N 1 0 286.372 -0.489 20 30 CBEDRO Cc1cc[nH]c1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182250334 820892838 /nfs/dbraw/zinc/89/28/38/820892838.db2.gz RHDMXQYXZKOCDO-LLVKDONJSA-N 1 0 289.339 -0.233 20 30 CBEDRO C#CC[NH2+]C[C@]1(C)CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001182267316 820892920 /nfs/dbraw/zinc/89/29/20/820892920.db2.gz XFZISEMKWVHPKT-ZWNOBZJWSA-N 1 0 276.344 -0.469 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC001182240613 820892990 /nfs/dbraw/zinc/89/29/90/820892990.db2.gz OGSUSQOPDAKZAY-TZMCWYRMSA-N 1 0 293.367 -0.649 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182257914 820893190 /nfs/dbraw/zinc/89/31/90/820893190.db2.gz DUJJFJRJKGTMED-LLVKDONJSA-N 1 0 279.344 -0.178 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001182336885 820897885 /nfs/dbraw/zinc/89/78/85/820897885.db2.gz QULHRXHUQIIJEM-RKDXNWHRSA-N 1 0 286.282 -0.528 20 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/nfs/dbraw/zinc/95/67/79/820956779.db2.gz ZZJMMPRUROQTQF-RWMBFGLXSA-N 1 0 295.383 -0.096 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001183043758 820968119 /nfs/dbraw/zinc/96/81/19/820968119.db2.gz YIEPUNZECZDWFB-OLZOCXBDSA-N 1 0 268.357 -0.160 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001183043759 820968799 /nfs/dbraw/zinc/96/87/99/820968799.db2.gz YIEPUNZECZDWFB-QWHCGFSZSA-N 1 0 268.357 -0.160 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCNC(=O)[C@H]1C ZINC001183045232 820969330 /nfs/dbraw/zinc/96/93/30/820969330.db2.gz WUOWOQGWGGFZNM-LLVKDONJSA-N 1 0 251.330 -0.015 20 30 CBEDRO C#C[C@H](CO)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001183103353 820973975 /nfs/dbraw/zinc/97/39/75/820973975.db2.gz KAOUUIPFCNDUPT-SNVBAGLBSA-N 1 0 257.355 -0.073 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001183085760 820974002 /nfs/dbraw/zinc/97/40/02/820974002.db2.gz HRJDHNSNLOBXRE-VXGBXAGGSA-N 1 0 254.330 -0.408 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H](CCC(=O)OC)C(N)=O ZINC001183092316 820974874 /nfs/dbraw/zinc/97/48/74/820974874.db2.gz XGZCYRXKMITZJL-NSHDSACASA-N 1 0 297.355 -0.438 20 30 CBEDRO C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001183085836 820974882 /nfs/dbraw/zinc/97/48/82/820974882.db2.gz LEDCZLLYXBCTCN-LLVKDONJSA-N 1 0 267.329 -0.730 20 30 CBEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183193791 820978914 /nfs/dbraw/zinc/97/89/14/820978914.db2.gz SQWPQBDZHBZVKX-GFCCVEGCSA-N 1 0 261.329 -0.118 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222039 820983122 /nfs/dbraw/zinc/98/31/22/820983122.db2.gz FLXZREITWAKTAY-VXGBXAGGSA-N 1 0 263.341 -0.274 20 30 CBEDRO COC(=O)[C@H](CS)NC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183374324 820993181 /nfs/dbraw/zinc/99/31/81/820993181.db2.gz STEILJPRRPESRO-YIZRAAEISA-N 1 0 260.359 -0.086 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183437171 820994715 /nfs/dbraw/zinc/99/47/15/820994715.db2.gz 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C=CCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001185297184 821123229 /nfs/dbraw/zinc/12/32/29/821123229.db2.gz ZKPMFODOSWVQNS-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185334916 821125312 /nfs/dbraw/zinc/12/53/12/821125312.db2.gz UPVJXVTVOHXPAJ-LLVKDONJSA-N 1 0 296.371 -0.913 20 30 CBEDRO C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684855 821138236 /nfs/dbraw/zinc/13/82/36/821138236.db2.gz SNWZMONKURHVOB-UTUOFQBUSA-N 1 0 281.356 -0.499 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001185890258 821145379 /nfs/dbraw/zinc/14/53/79/821145379.db2.gz VHBDRNJLNFJGSN-VXGBXAGGSA-N 1 0 275.352 -0.274 20 30 CBEDRO C=CCNCc1cn([C@H]2CCCN(C(=O)C(N)=O)C2)nn1 ZINC001185992243 821146541 /nfs/dbraw/zinc/14/65/41/821146541.db2.gz HGUXWMOITIFSBM-NSHDSACASA-N 1 0 292.343 -0.798 20 30 CBEDRO COC(=O)C1(C#N)CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186044691 821156603 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CC[C@H](CC#N)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220898732 825122442 /nfs/dbraw/zinc/12/24/42/825122442.db2.gz UNNSXWYWNJFIGK-SECBINFHSA-N 1 0 276.362 -0.985 20 30 CBEDRO CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220898852 825122559 /nfs/dbraw/zinc/12/25/59/825122559.db2.gz ZENYJASOVGLIHA-ZJUUUORDSA-N 1 0 252.318 -0.255 20 30 CBEDRO N#CC1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CCOCC1 ZINC001220966713 825130602 /nfs/dbraw/zinc/13/06/02/825130602.db2.gz CTMUVAPRZOFPGD-SNVBAGLBSA-N 1 0 263.301 -0.532 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)CNC(=O)[C@@H](C)CC)[C@@H](O)C1 ZINC001220993349 825134015 /nfs/dbraw/zinc/13/40/15/825134015.db2.gz ZSEIIWRGMODWBT-XQQFMLRXSA-N 1 0 295.383 -0.667 20 30 CBEDRO C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cccn2)[C@@H](O)C1 ZINC001221001807 825134699 /nfs/dbraw/zinc/13/46/99/825134699.db2.gz PTQOJVVMEJENDD-KGLIPLIRSA-N 1 0 290.367 -0.152 20 30 CBEDRO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)CCOC)[C@@H](O)C1 ZINC001221012487 825137012 /nfs/dbraw/zinc/13/70/12/825137012.db2.gz SAMBPOLRASWMHS-UPJWGTAASA-N 1 0 268.357 -0.156 20 30 CBEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCC2)[C@@H](O)C1 ZINC001221077423 825141486 /nfs/dbraw/zinc/14/14/86/825141486.db2.gz KEVCJEXFTPMPLO-OLZOCXBDSA-N 1 0 295.383 -0.360 20 30 CBEDRO N#Cc1ccc(CNC(=O)[C@]2(N)CCC[NH2+]C2)cn1 ZINC001221089336 825142784 /nfs/dbraw/zinc/14/27/84/825142784.db2.gz OKACOYGNCVHWBX-ZDUSSCGKSA-N 1 0 259.313 -0.350 20 30 CBEDRO N#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)cn1 ZINC001221089342 825142797 /nfs/dbraw/zinc/14/27/97/825142797.db2.gz OLFLUHGNDNMJDG-SMDDNHRTSA-N 1 0 271.324 -0.479 20 30 CBEDRO N#Cc1ccc(CNC(=O)[C@H]([NH3+])CCCNC(N)=O)cn1 ZINC001221089575 825143405 /nfs/dbraw/zinc/14/34/05/825143405.db2.gz RXQVNTIADIJUJS-LLVKDONJSA-N 1 0 290.327 -0.655 20 30 CBEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](O)C1 ZINC001221143784 825146560 /nfs/dbraw/zinc/14/65/60/825146560.db2.gz QQMPWGLLCIHUKW-OLZOCXBDSA-N 1 0 286.372 -0.223 20 30 CBEDRO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC)C[C@@H]1O ZINC001221148299 825148116 /nfs/dbraw/zinc/14/81/16/825148116.db2.gz XUJRXPXTZZBBQR-XQQFMLRXSA-N 1 0 286.372 -0.225 20 30 CBEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221171332 825150136 /nfs/dbraw/zinc/15/01/36/825150136.db2.gz PXOMOGGZMCTGRZ-NEPJUHHUSA-N 1 0 283.372 -0.231 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)NCC1(COC)CCOCC1 ZINC001221176702 825150160 /nfs/dbraw/zinc/15/01/60/825150160.db2.gz KFSRISIIGHKPKQ-LBPRGKRZSA-N 1 0 254.330 -0.104 20 30 CBEDRO C#C[C@](C)([NH3+])C(=O)N[C@@](C)(C(=O)OC)C(F)(F)F ZINC001221221344 825156888 /nfs/dbraw/zinc/15/68/88/825156888.db2.gz JIAOQXRGPTVXCB-IUCAKERBSA-N 1 0 266.219 -0.053 20 30 CBEDRO N#CC1(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)Cc2ccccc2C1 ZINC001221365715 825175790 /nfs/dbraw/zinc/17/57/90/825175790.db2.gz BXNXRFWPEVSJAL-STQMWFEESA-N 1 0 271.320 -0.113 20 30 CBEDRO C=CC[C@@](C)(NC(=O)CNC1CC[NH2+]CC1)C(=O)OC ZINC001221381462 825179698 /nfs/dbraw/zinc/17/96/98/825179698.db2.gz BUUQKHSBOLYFKM-CQSZACIVSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=CC[C@@](C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1O)C(=O)OC ZINC001221382692 825180259 /nfs/dbraw/zinc/18/02/59/825180259.db2.gz XBWROPOQMAZHAV-HOTUBEGUSA-N 1 0 256.302 -0.809 20 30 CBEDRO CC#CCN1CC[C@@H]2CN(C(=O)C(=O)NCC(F)F)[C@@H]2C1 ZINC001221666980 825191840 /nfs/dbraw/zinc/19/18/40/825191840.db2.gz YDAHVEIRGPVWAW-GHMZBOCLSA-N 1 0 299.321 -0.076 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221780909 825194120 /nfs/dbraw/zinc/19/41/20/825194120.db2.gz AHJHFNCSZGFPPT-GHMZBOCLSA-N 1 0 267.329 -0.793 20 30 CBEDRO C#CCN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947220 825197263 /nfs/dbraw/zinc/19/72/63/825197263.db2.gz YFPDDEFPCZMTSD-ZIAGYGMSSA-N 1 0 279.384 -0.270 20 30 CBEDRO C=CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001222066989 825199125 /nfs/dbraw/zinc/19/91/25/825199125.db2.gz ABIRYQWGHZQPNU-GHMZBOCLSA-N 1 0 269.345 -0.357 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222110879 825200269 /nfs/dbraw/zinc/20/02/69/825200269.db2.gz IYVSASKUMBEBHV-LLVKDONJSA-N 1 0 251.330 -0.144 20 30 CBEDRO C#CCNC(=O)C[NH+]1CCC(CNC(=O)CSC)CC1 ZINC001222325593 825209298 /nfs/dbraw/zinc/20/92/98/825209298.db2.gz VHAVUDGFUQVMBR-UHFFFAOYSA-N 1 0 297.424 -0.073 20 30 CBEDRO C=CCCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001222578956 825216290 /nfs/dbraw/zinc/21/62/90/825216290.db2.gz MBKGJTAJWDIMQI-UHFFFAOYSA-N 1 0 296.371 -0.024 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001222975398 825222891 /nfs/dbraw/zinc/22/28/91/825222891.db2.gz PXCXQHXAAQWEMU-HNNXBMFYSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCNC(=O)CC(=O)NCC1CC[NH+](CC#CC)CC1 ZINC001222919866 825223261 /nfs/dbraw/zinc/22/32/61/825223261.db2.gz DDVAAMJLMRDOTL-UHFFFAOYSA-N 1 0 289.379 -0.023 20 30 CBEDRO C=CC[NH+]1CCC(CNC(=O)CN2CN=NC2=O)CC1 ZINC001222928538 825223824 /nfs/dbraw/zinc/22/38/24/825223824.db2.gz MDYTUUAEUAMJJW-UHFFFAOYSA-N 1 0 279.344 -0.002 20 30 CBEDRO C#CCO[C@H](C)C(=O)NCC1CC[NH+](CC(=O)NC)CC1 ZINC001223174469 825226783 /nfs/dbraw/zinc/22/67/83/825226783.db2.gz HZLVYPUBBNGIBU-GFCCVEGCSA-N 1 0 295.383 -0.401 20 30 CBEDRO C#CC[NH+]1CCC(CNC(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC001223904006 825232959 /nfs/dbraw/zinc/23/29/59/825232959.db2.gz LTXSBBSMVYGRES-OAHLLOKOSA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@@H]21 ZINC001224162927 825234496 /nfs/dbraw/zinc/23/44/96/825234496.db2.gz WHHRNOUIODGIJL-NEPJUHHUSA-N 1 0 299.396 -0.908 20 30 CBEDRO C=C(COC(=O)C[C@@H](O)C[N+](C)(C)C)C(=O)OC ZINC001224369223 825238814 /nfs/dbraw/zinc/23/88/14/825238814.db2.gz ODIXRQVIRARFHQ-SNVBAGLBSA-N 1 0 260.310 -0.284 20 30 CBEDRO CC[N@@H+]1CC[C@@H](OCC(=O)ON2C(=O)CCC2=O)C1 ZINC001224525687 825240701 /nfs/dbraw/zinc/24/07/01/825240701.db2.gz OPWLPJMNLILCPM-SECBINFHSA-N 1 0 270.285 -0.296 20 30 CBEDRO C#CCC[NH+]1CCC(CNC(=O)CCn2cnnn2)CC1 ZINC001224946958 825252036 /nfs/dbraw/zinc/25/20/36/825252036.db2.gz LEVQAZZVFZDMEX-UHFFFAOYSA-N 1 0 290.371 -0.085 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001225394575 825255968 /nfs/dbraw/zinc/25/59/68/825255968.db2.gz AFQYGFWGQBXFQM-OPRDCNLKSA-N 1 0 252.318 -0.352 20 30 CBEDRO C=CC[NH+]1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001225348575 825256174 /nfs/dbraw/zinc/25/61/74/825256174.db2.gz GXGOHPOLZOEQRW-UHFFFAOYSA-N 1 0 294.355 -0.448 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001225796407 825264808 /nfs/dbraw/zinc/26/48/08/825264808.db2.gz WKVJNUQFZKNWEI-CHWSQXEVSA-N 1 0 295.383 -0.475 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001225869550 825267428 /nfs/dbraw/zinc/26/74/28/825267428.db2.gz PPEWLNPNVBPFCC-HBNTYKKESA-N 1 0 266.345 -0.307 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC ZINC001226178712 825272632 /nfs/dbraw/zinc/27/26/32/825272632.db2.gz XGBABIJZHXNRKH-JHJVBQTASA-N 1 0 295.383 -0.212 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)NCC(=O)N1CCCCC1 ZINC001226538291 825280167 /nfs/dbraw/zinc/28/01/67/825280167.db2.gz HWEYKCQMZSMHDX-UHFFFAOYSA-N 1 0 280.372 -0.137 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001226639772 825283530 /nfs/dbraw/zinc/28/35/30/825283530.db2.gz GIYWKLHNJZPFAQ-KOLCDFICSA-N 1 0 292.339 -0.468 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NC ZINC001226635747 825283769 /nfs/dbraw/zinc/28/37/69/825283769.db2.gz XBUPVLBPDKBHGA-VXGBXAGGSA-N 1 0 280.372 -0.044 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NC ZINC001226627993 825283871 /nfs/dbraw/zinc/28/38/71/825283871.db2.gz LLPFVFJVKXSIRH-GHMZBOCLSA-N 1 0 266.345 -0.434 20 30 CBEDRO CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226640572 825285644 /nfs/dbraw/zinc/28/56/44/825285644.db2.gz OUTQHKAVGOELIJ-NXEZZACHSA-N 1 0 266.345 -0.139 20 30 CBEDRO CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001226641067 825285665 /nfs/dbraw/zinc/28/56/65/825285665.db2.gz UYBVFTMHWQMQDS-MWLCHTKSSA-N 1 0 266.345 -0.009 20 30 CBEDRO C#CCOCCC(=O)NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001227323741 825300494 /nfs/dbraw/zinc/30/04/94/825300494.db2.gz YLQVQPVERXQLRQ-CQSZACIVSA-N 1 0 298.383 -0.386 20 30 CBEDRO C#CCOCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001227322948 825300734 /nfs/dbraw/zinc/30/07/34/825300734.db2.gz JDIVOKKUXFOYBD-LBPRGKRZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCOCCC(=O)NC1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001227323711 825300946 /nfs/dbraw/zinc/30/09/46/825300946.db2.gz XRDREAVKXWUVEL-ZDUSSCGKSA-N 1 0 295.383 -0.129 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001227342708 825301038 /nfs/dbraw/zinc/30/10/38/825301038.db2.gz VQYAHMFWCBLASJ-CYBMUJFWSA-N 1 0 298.383 -0.386 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)C[C@H](C)NC(N)=O)CC1 ZINC001227361596 825301881 /nfs/dbraw/zinc/30/18/81/825301881.db2.gz CPXDXPVIZNSXGR-JTQLQIEISA-N 1 0 266.345 -0.353 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001227342785 825303599 /nfs/dbraw/zinc/30/35/99/825303599.db2.gz XYAKSBGLXJKAHZ-TZMCWYRMSA-N 1 0 298.383 -0.387 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001227342782 825303643 /nfs/dbraw/zinc/30/36/43/825303643.db2.gz XYAKSBGLXJKAHZ-GXTWGEPZSA-N 1 0 298.383 -0.387 20 30 CBEDRO C#CC[NH+]1CCC(NC(=O)CCNC(=O)COC)CC1 ZINC001227637823 825306524 /nfs/dbraw/zinc/30/65/24/825306524.db2.gz TWTDUYDPEBWTNH-UHFFFAOYSA-N 1 0 281.356 -0.647 20 30 CBEDRO COCC#CC[NH+]1CCC(NC(=O)[C@H](C)CC(N)=O)CC1 ZINC001228608051 825320944 /nfs/dbraw/zinc/32/09/44/825320944.db2.gz RGEXPJUUFRIIJO-GFCCVEGCSA-N 1 0 295.383 -0.272 20 30 CBEDRO COCC#CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001229200673 825327868 /nfs/dbraw/zinc/32/78/68/825327868.db2.gz SZMLVCRWRPIASE-OLZOCXBDSA-N 1 0 293.367 -0.662 20 30 CBEDRO CC#CC[NH+]1CCC(NC(=O)CCn2cnnn2)CC1 ZINC001229741366 825336994 /nfs/dbraw/zinc/33/69/94/825336994.db2.gz YPHDZSYLKAMAEJ-UHFFFAOYSA-N 1 0 276.344 -0.333 20 30 CBEDRO COCC#CC[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001229985302 825340988 /nfs/dbraw/zinc/34/09/88/825340988.db2.gz NAFVDXLIYRNGEW-UHFFFAOYSA-N 1 0 291.355 -0.422 20 30 CBEDRO COCC#CC[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001230193995 825342486 /nfs/dbraw/zinc/34/24/86/825342486.db2.gz FQVOWNPMENDZHJ-UHFFFAOYSA-N 1 0 291.355 -0.492 20 30 CBEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC ZINC001230169253 825343117 /nfs/dbraw/zinc/34/31/17/825343117.db2.gz FEQFLNJDAHYNNO-GHMZBOCLSA-N 1 0 287.385 -0.814 20 30 CBEDRO CC#CC[NH+]1CCC(NC(=O)CCNC(N)=O)CC1 ZINC001230221207 825344767 /nfs/dbraw/zinc/34/47/67/825344767.db2.gz CBOAAJQHVXXPAP-UHFFFAOYSA-N 1 0 266.345 -0.351 20 30 CBEDRO C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 ZINC001230513531 825350754 /nfs/dbraw/zinc/35/07/54/825350754.db2.gz WVTHJMHOUVPDKC-CYBMUJFWSA-N 1 0 292.383 -0.009 20 30 CBEDRO C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230643047 825361710 /nfs/dbraw/zinc/36/17/10/825361710.db2.gz YCNBMUYJXIWBOC-ZDUSSCGKSA-N 1 0 283.372 -0.142 20 30 CBEDRO C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CNC(N)=O ZINC001230730963 825366906 /nfs/dbraw/zinc/36/69/06/825366906.db2.gz 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287.312 -0.919 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC001251887823 825802340 /nfs/dbraw/zinc/80/23/40/825802340.db2.gz JYBMBSVCELDJEG-RYUDHWBXSA-N 1 0 254.330 -0.404 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001251888200 825802788 /nfs/dbraw/zinc/80/27/88/825802788.db2.gz PMKDFCSDNHVGTO-MXWKQRLJSA-N 1 0 261.343 -0.838 20 30 CBEDRO C#CCOC[C@H](O)CNC1(C(=O)OC)CC[NH+](C)CC1 ZINC001251890470 825802801 /nfs/dbraw/zinc/80/28/01/825802801.db2.gz BXJUUJPXHYDXFV-GFCCVEGCSA-N 1 0 284.356 -0.776 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@@H](CO)c1ccncc1 ZINC001251894106 825803956 /nfs/dbraw/zinc/80/39/56/825803956.db2.gz OXKLGZLNKGUNMV-STQMWFEESA-N 1 0 250.298 -0.285 20 30 CBEDRO C#CCOC[C@@H](O)C[NH2+][C@H]1COCC[C@H]1C(=O)OCC ZINC001251896303 825804554 /nfs/dbraw/zinc/80/45/54/825804554.db2.gz GMYKZOGBJQBSFR-XQQFMLRXSA-N 1 0 285.340 -0.445 20 30 CBEDRO C#CCOC[C@H](O)C[NH2+]Cc1cncc(C(=O)OC)c1 ZINC001251897100 825806125 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C=C[C@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001253582721 825918015 /nfs/dbraw/zinc/91/80/15/825918015.db2.gz SYODATIBJXTNRI-SRVKXCTJSA-N 1 0 254.330 -0.430 20 30 CBEDRO C=C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@@H](C(=O)OC)C1 ZINC001253581134 825918211 /nfs/dbraw/zinc/91/82/11/825918211.db2.gz BTUHTTYDJHZDBB-MXWKQRLJSA-N 1 0 271.313 -0.183 20 30 CBEDRO C=C[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)OC ZINC001253612336 825919037 /nfs/dbraw/zinc/91/90/37/825919037.db2.gz YPYDJYQQHDMRCE-NEPJUHHUSA-N 1 0 272.345 -0.029 20 30 CBEDRO C=C[C@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001253607485 825919046 /nfs/dbraw/zinc/91/90/46/825919046.db2.gz XUTGFLHMTPAZST-NSHDSACASA-N 1 0 262.375 -0.206 20 30 CBEDRO C=C[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001253608703 825919295 /nfs/dbraw/zinc/91/92/95/825919295.db2.gz FQZZYVLPVNSUKP-ZJUUUORDSA-N 1 0 257.334 -0.861 20 30 CBEDRO C=C[C@H](O)C[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC001253602159 825919425 /nfs/dbraw/zinc/91/94/25/825919425.db2.gz 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CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C#CC1CC1 ZINC001268062582 827250985 /nfs/dbraw/zinc/25/09/85/827250985.db2.gz DPPXDTZVYORMJF-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001268059431 827251223 /nfs/dbraw/zinc/25/12/23/827251223.db2.gz MNSBEHMKYJUWRT-NSHDSACASA-N 1 0 296.371 -0.318 20 30 CBEDRO C#CCCCC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#C ZINC001268059630 827251444 /nfs/dbraw/zinc/25/14/44/827251444.db2.gz OGQOUGPCIYPOQW-CYBMUJFWSA-N 1 0 277.368 -0.024 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCN1C(=O)CCC1=O ZINC001268071424 827252392 /nfs/dbraw/zinc/25/23/92/827252392.db2.gz FNKJFERDXZLTLB-LLVKDONJSA-N 1 0 279.340 -0.405 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001268078073 827253944 /nfs/dbraw/zinc/25/39/44/827253944.db2.gz BRZXEBDICHPVIG-OUAUKWLOSA-N 1 0 266.345 -0.281 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001268095170 827255777 /nfs/dbraw/zinc/25/57/77/827255777.db2.gz 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C#CC[N@@H+](C)CCN(C)C(=O)CCCN1C(=O)CCC1=O ZINC001268238376 827268135 /nfs/dbraw/zinc/26/81/35/827268135.db2.gz CDFUADGLNCMTPT-UHFFFAOYSA-N 1 0 293.367 -0.061 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@H](C)CC(N)=O ZINC001268245210 827269274 /nfs/dbraw/zinc/26/92/74/827269274.db2.gz MUCKEUKAQZRULI-GFCCVEGCSA-N 1 0 283.372 -0.462 20 30 CBEDRO CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001268245880 827270234 /nfs/dbraw/zinc/27/02/34/827270234.db2.gz TUIXXFOMBOPSPD-NEPJUHHUSA-N 1 0 265.357 -0.089 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001268256542 827274077 /nfs/dbraw/zinc/27/40/77/827274077.db2.gz OHGATVRBVHVSTN-UHFFFAOYSA-N 1 0 277.328 -0.235 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)NC ZINC001268277998 827277015 /nfs/dbraw/zinc/27/70/15/827277015.db2.gz MDNDTLBEUMDPMR-RYUDHWBXSA-N 1 0 280.372 -0.187 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001268294928 827279664 /nfs/dbraw/zinc/27/96/64/827279664.db2.gz 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/nfs/dbraw/zinc/28/60/51/827286051.db2.gz SWXRFYLAPAHSGT-GFCCVEGCSA-N 1 0 266.345 -0.047 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001268302253 827286100 /nfs/dbraw/zinc/28/61/00/827286100.db2.gz VOPIHPLFQFFTHE-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC)n1 ZINC001268303478 827286476 /nfs/dbraw/zinc/28/64/76/827286476.db2.gz AOUXNZVCICSUAJ-SNVBAGLBSA-N 1 0 267.333 -0.446 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001268302691 827286972 /nfs/dbraw/zinc/28/69/72/827286972.db2.gz YJIXXIUMUSCIMG-NSHDSACASA-N 1 0 265.288 -0.076 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC=CCC1 ZINC001268302542 827287105 /nfs/dbraw/zinc/28/71/05/827287105.db2.gz WPBLCBHCFNBFPF-CHWSQXEVSA-N 1 0 295.383 -0.288 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ncoc1C ZINC001268302637 827287301 /nfs/dbraw/zinc/28/73/01/827287301.db2.gz YFZABKTWRCIFIU-JTQLQIEISA-N 1 0 251.286 -0.313 20 30 CBEDRO CCCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 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C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001268306101 827289606 /nfs/dbraw/zinc/28/96/06/827289606.db2.gz ZALCYNRJKGXWOF-STQMWFEESA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2nccnc2c1 ZINC001268307695 827289612 /nfs/dbraw/zinc/28/96/12/827289612.db2.gz HVEVEJBKBNVOLP-LLVKDONJSA-N 1 0 287.323 -0.109 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](OCC)C1CC1 ZINC001268308620 827291265 /nfs/dbraw/zinc/29/12/65/827291265.db2.gz QYMVSZHXAWJBNE-STQMWFEESA-N 1 0 268.357 -0.109 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCNC1=O ZINC001268311600 827292969 /nfs/dbraw/zinc/29/29/69/827292969.db2.gz LSEOXHULYJWMGV-GHMZBOCLSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1cncnc1 ZINC001268313527 827294344 /nfs/dbraw/zinc/29/43/44/827294344.db2.gz DSIZBJLCOLFQIR-LBPRGKRZSA-N 1 0 262.313 -0.891 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001268313397 827294357 /nfs/dbraw/zinc/29/43/57/827294357.db2.gz CXAAVMLCAJVZNC-GHMZBOCLSA-N 1 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PAIMPXNGFBLXCG-CYBMUJFWSA-N 1 0 293.371 -0.425 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(CC)cn1 ZINC001268319815 827298448 /nfs/dbraw/zinc/29/84/48/827298448.db2.gz AQLPBLRUJQMITK-AWEZNQCLSA-N 1 0 275.352 -0.114 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C(C)(F)F ZINC001268323192 827299404 /nfs/dbraw/zinc/29/94/04/827299404.db2.gz WZEABODBUXFBRJ-GHMZBOCLSA-N 1 0 292.326 -0.006 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(=O)cc1OC ZINC001268323041 827300276 /nfs/dbraw/zinc/30/02/76/827300276.db2.gz VRHREKSCECPLLB-JTQLQIEISA-N 1 0 293.323 -0.501 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C)CC(=C)C1 ZINC001268324596 827301010 /nfs/dbraw/zinc/30/10/10/827301010.db2.gz UTCPIPWYOSYTSF-GFCCVEGCSA-N 1 0 293.367 -0.841 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C)[nH]c1=O ZINC001268324103 827301720 /nfs/dbraw/zinc/30/17/20/827301720.db2.gz LVZMTHQUQJUWKZ-SNVBAGLBSA-N 1 0 265.313 -0.038 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnc(C)c1 ZINC001268325621 827301977 /nfs/dbraw/zinc/30/19/77/827301977.db2.gz GHCWIEWIAOYMAN-CQSZACIVSA-N 1 0 291.351 -0.280 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)C[NH2+]CC ZINC001268326623 827302552 /nfs/dbraw/zinc/30/25/52/827302552.db2.gz YGNDZODWASUWMB-NEPJUHHUSA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001268328789 827302926 /nfs/dbraw/zinc/30/29/26/827302926.db2.gz PIBCCTUIMFJWDK-ZDUSSCGKSA-N 1 0 297.399 -0.813 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC)c1C ZINC001268328237 827303044 /nfs/dbraw/zinc/30/30/44/827303044.db2.gz WLNDJLONSUOQTO-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001268335632 827307709 /nfs/dbraw/zinc/30/77/09/827307709.db2.gz WNJGVTYWSWRXFY-ZDUSSCGKSA-N 1 0 289.335 -0.972 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001268340141 827311953 /nfs/dbraw/zinc/31/19/53/827311953.db2.gz ZDHRONAELUUIHK-DGCLKSJQSA-N 1 0 278.356 -0.386 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1cscn1 ZINC001268349517 827313231 /nfs/dbraw/zinc/31/32/31/827313231.db2.gz LNKIATLVLRMSBR-VIFPVBQESA-N 1 0 295.368 -0.119 20 30 CBEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001268367065 827316499 /nfs/dbraw/zinc/31/64/99/827316499.db2.gz RRPLDCGHWNHKLK-JTQLQIEISA-N 1 0 294.359 -0.563 20 30 CBEDRO C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)C#CC1CC1 ZINC001268364027 827316861 /nfs/dbraw/zinc/31/68/61/827316861.db2.gz YHSXBACUSKVQOE-VIFPVBQESA-N 1 0 280.328 -0.921 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001268375293 827318064 /nfs/dbraw/zinc/31/80/64/827318064.db2.gz UCUILXCWKIOYSH-STQMWFEESA-N 1 0 267.373 -0.439 20 30 CBEDRO C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)c1ncccn1 ZINC001268408258 827323036 /nfs/dbraw/zinc/32/30/36/827323036.db2.gz AHKNRYUKKWPXBA-SNVBAGLBSA-N 1 0 290.327 -0.786 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001268406344 827323281 /nfs/dbraw/zinc/32/32/81/827323281.db2.gz WIRCZIPKXSTAAH-LLVKDONJSA-N 1 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HCHKQHKQCAFXQJ-UHFFFAOYSA-N 1 0 292.339 -0.929 20 30 CBEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)C[C@H]1CCC(=O)NC1 ZINC001272182737 827767750 /nfs/dbraw/zinc/76/77/50/827767750.db2.gz SVGNGEKFPKFYKZ-CYBMUJFWSA-N 1 0 297.399 -0.111 20 30 CBEDRO C=C(C)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001272182738 827767938 /nfs/dbraw/zinc/76/79/38/827767938.db2.gz SVGNGEKFPKFYKZ-ZDUSSCGKSA-N 1 0 297.399 -0.111 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)F)CC[C@@H]21 ZINC001272199138 827769037 /nfs/dbraw/zinc/76/90/37/827769037.db2.gz ZGIWAVNVDKTFDI-MNOVXSKESA-N 1 0 299.321 -0.076 20 30 CBEDRO N#CCNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001272202073 827769251 /nfs/dbraw/zinc/76/92/51/827769251.db2.gz KUFKHOGEPSCEDC-UHFFFAOYSA-N 1 0 280.372 -0.451 20 30 CBEDRO C=C(C)C(C)(C)C(=O)N(CCO)CC[NH2+]CCO ZINC001272224761 827770193 /nfs/dbraw/zinc/77/01/93/827770193.db2.gz HLCKBOCLZMAELO-UHFFFAOYSA-N 1 0 258.362 -0.009 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001272212407 827771358 /nfs/dbraw/zinc/77/13/58/827771358.db2.gz AANJLGAGMKBSRE-MELADBBJSA-N 1 0 298.383 -0.366 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001272235629 827772522 /nfs/dbraw/zinc/77/25/22/827772522.db2.gz OCZUDBVNMCFPRW-ITGUQSILSA-N 1 0 266.341 -0.687 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001272251449 827773467 /nfs/dbraw/zinc/77/34/67/827773467.db2.gz JQOOITBEDCNZBF-OLZOCXBDSA-N 1 0 268.357 -0.155 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001272264741 827774571 /nfs/dbraw/zinc/77/45/71/827774571.db2.gz GJWCTZJQCZKQBW-OLZOCXBDSA-N 1 0 295.383 -0.665 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001272258430 827775319 /nfs/dbraw/zinc/77/53/19/827775319.db2.gz KWMHJUOBDWBAEN-OLZOCXBDSA-N 1 0 295.383 -0.678 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001272278454 827775826 /nfs/dbraw/zinc/77/58/26/827775826.db2.gz DIOGVTBNABXYNX-VXGBXAGGSA-N 1 0 291.355 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001272281490 827776662 /nfs/dbraw/zinc/77/66/62/827776662.db2.gz RECVJBGMFOTBQQ-OLZOCXBDSA-N 1 0 298.408 -0.071 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)c1cc2ncccn2n1 ZINC001272284798 827777340 /nfs/dbraw/zinc/77/73/40/827777340.db2.gz RNQICULYLDVJMK-UHFFFAOYSA-N 1 0 289.339 -0.061 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001272300650 827778051 /nfs/dbraw/zinc/77/80/51/827778051.db2.gz HPGRFCFEPCTMKJ-CQSZACIVSA-N 1 0 287.363 -0.160 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)c1ccnc(C)n1 ZINC001272314706 827779613 /nfs/dbraw/zinc/77/96/13/827779613.db2.gz AEHSYRFTHWUDKW-UHFFFAOYSA-N 1 0 276.340 -0.168 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2nncn2C1 ZINC001272315703 827780093 /nfs/dbraw/zinc/78/00/93/827780093.db2.gz UGUJAHGTNIGSDN-GFCCVEGCSA-N 1 0 293.371 -0.563 20 30 CBEDRO C#CCC[NH2+]CCN(CCO)C(=O)[C@H](C)c1cnn(C)c1 ZINC001272322101 827780250 /nfs/dbraw/zinc/78/02/50/827780250.db2.gz NRUQOILGQSBUAW-CYBMUJFWSA-N 1 0 292.383 -0.043 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccco1 ZINC001272350857 827782353 /nfs/dbraw/zinc/78/23/53/827782353.db2.gz DQJCGNLGPGTTHE-LLVKDONJSA-N 1 0 266.297 -0.390 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)C1CCOCC1 ZINC001272353311 827784243 /nfs/dbraw/zinc/78/42/43/827784243.db2.gz XLNFTOHBWDRUCO-ZDUSSCGKSA-N 1 0 284.356 -0.871 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)OCC ZINC001272370211 827786076 /nfs/dbraw/zinc/78/60/76/827786076.db2.gz ANDFBEAUDIKVCS-VXGBXAGGSA-N 1 0 256.346 -0.109 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC(F)(F)F ZINC001272371261 827786495 /nfs/dbraw/zinc/78/64/95/827786495.db2.gz KNEQLYHWSUHNBI-QMMMGPOBSA-N 1 0 297.277 -0.692 20 30 CBEDRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CSCC#N)on1 ZINC001272370846 827786971 /nfs/dbraw/zinc/78/69/71/827786971.db2.gz HDZBJTDKYJDZTF-JTQLQIEISA-N 1 0 298.368 -0.194 20 30 CBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001272379302 827788874 /nfs/dbraw/zinc/78/88/74/827788874.db2.gz JFOPIFJWEARBSX-NSHDSACASA-N 1 0 285.388 -0.066 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001272381534 827789060 /nfs/dbraw/zinc/78/90/60/827789060.db2.gz SUROFTCAQOHQDV-NEPJUHHUSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001272388102 827790133 /nfs/dbraw/zinc/79/01/33/827790133.db2.gz AQDDFAMHNVPGHV-STQMWFEESA-N 1 0 285.388 -0.650 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1coc(C)c1 ZINC001272398269 827790859 /nfs/dbraw/zinc/79/08/59/827790859.db2.gz OHRWOUPKGHQVRA-GFCCVEGCSA-N 1 0 295.339 -0.429 20 30 CBEDRO CC(C)[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001272398105 827791241 /nfs/dbraw/zinc/79/12/41/827791241.db2.gz NEMBHSKACYEEPM-SNVBAGLBSA-N 1 0 250.302 -0.025 20 30 CBEDRO COCCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001272398935 827792235 /nfs/dbraw/zinc/79/22/35/827792235.db2.gz UDYJYTBCAOMPSG-LLVKDONJSA-N 1 0 280.328 -0.397 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(C)c1 ZINC001272399613 827792346 /nfs/dbraw/zinc/79/23/46/827792346.db2.gz YYYPSWSCRBFAKV-ZDUSSCGKSA-N 1 0 279.340 -0.645 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001272406710 827793047 /nfs/dbraw/zinc/79/30/47/827793047.db2.gz OTJNSVPRCORMGN-RYUDHWBXSA-N 1 0 281.356 -0.865 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001272405928 827793214 /nfs/dbraw/zinc/79/32/14/827793214.db2.gz CSHIRDJYQMLGAY-YPMHNXCESA-N 1 0 254.330 -0.597 20 30 CBEDRO C#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)n1 ZINC001272405863 827793292 /nfs/dbraw/zinc/79/32/92/827793292.db2.gz BOHWESOWAHIFGK-ZDUSSCGKSA-N 1 0 278.356 -0.210 20 30 CBEDRO COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C#CC(C)C ZINC001272406909 827793717 /nfs/dbraw/zinc/79/37/17/827793717.db2.gz RRLKKJRJJNMDIH-VXGBXAGGSA-N 1 0 256.346 -0.253 20 30 CBEDRO CC[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C#CC1CC1 ZINC001272413655 827794766 /nfs/dbraw/zinc/79/47/66/827794766.db2.gz GJRXWEDPMOEMIR-YPMHNXCESA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001272413674 827795003 /nfs/dbraw/zinc/79/50/03/827795003.db2.gz GYVKDXVHZUQRCP-LLVKDONJSA-N 1 0 276.340 -0.467 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc2[nH]cnc2c1 ZINC001272435834 827797010 /nfs/dbraw/zinc/79/70/10/827797010.db2.gz XHLUYEZYGMJEIO-NSHDSACASA-N 1 0 287.323 -0.339 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1ccns1 ZINC001272435921 827797369 /nfs/dbraw/zinc/79/73/69/827797369.db2.gz YXEZHHSLLGHHGU-JTQLQIEISA-N 1 0 283.353 -0.527 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001272435820 827797676 /nfs/dbraw/zinc/79/76/76/827797676.db2.gz XCTVOQMPGMRZGE-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001272434784 827797748 /nfs/dbraw/zinc/79/77/48/827797748.db2.gz KJXIGUKUYAKDQN-NSHDSACASA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cn1ccc(C(F)F)n1 ZINC001272434877 827797770 /nfs/dbraw/zinc/79/77/70/827797770.db2.gz LBYUFYYLTGAEGW-SECBINFHSA-N 1 0 286.282 -0.479 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2ncccc12 ZINC001272442205 827798734 /nfs/dbraw/zinc/79/87/34/827798734.db2.gz DAIQOJZYLRGWOF-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)ncn1C ZINC001272441992 827799323 /nfs/dbraw/zinc/79/93/23/827799323.db2.gz BZJAOMSBIBLBMD-LLVKDONJSA-N 1 0 264.329 -0.568 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)ncn1C ZINC001272441993 827799370 /nfs/dbraw/zinc/79/93/70/827799370.db2.gz BZJAOMSBIBLBMD-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001272455869 827799929 /nfs/dbraw/zinc/79/99/29/827799929.db2.gz YQBFUIFIHJSVOJ-LBPRGKRZSA-N 1 0 272.308 -0.352 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cn[nH]n1 ZINC001272461168 827801669 /nfs/dbraw/zinc/80/16/69/827801669.db2.gz MBUWUIKPGBYLMH-NXEZZACHSA-N 1 0 267.333 -0.160 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001272458075 827802014 /nfs/dbraw/zinc/80/20/14/827802014.db2.gz UMIULIVADDYDPH-STQMWFEESA-N 1 0 277.368 -0.026 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001272465192 827802206 /nfs/dbraw/zinc/80/22/06/827802206.db2.gz CLUILUHOMXDHPB-GJZGRUSLSA-N 1 0 293.411 -0.096 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001272472082 827803801 /nfs/dbraw/zinc/80/38/01/827803801.db2.gz YKFNRQWMSSZDJD-LLVKDONJSA-N 1 0 277.324 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2nccn2c1 ZINC001272470301 827804660 /nfs/dbraw/zinc/80/46/60/827804660.db2.gz NUJAQCJAPNEYQJ-LLVKDONJSA-N 1 0 273.296 -0.957 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)COCc1ncc(C)o1 ZINC001272469095 827804866 /nfs/dbraw/zinc/80/48/66/827804866.db2.gz DPWLYLGHMNJFQS-LBPRGKRZSA-N 1 0 295.339 -0.410 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001272497392 827807782 /nfs/dbraw/zinc/80/77/82/827807782.db2.gz XSDQFMFQHHJYKV-UWVGGRQHSA-N 1 0 271.361 -0.471 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@@H+](CCCC(=O)OC)C2)OCC1=O ZINC001272498344 827807930 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CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)nn1CC ZINC001272528956 827812708 /nfs/dbraw/zinc/81/27/08/827812708.db2.gz FIJIEEDVRQSUIU-LBPRGKRZSA-N 1 0 278.356 -0.085 20 30 CBEDRO C=CCN1C[C@@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)OCC1=O ZINC001272523613 827812716 /nfs/dbraw/zinc/81/27/16/827812716.db2.gz BIFXWUZLWIOIQD-DOMZBBRYSA-N 1 0 293.367 -0.246 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001272529913 827816503 /nfs/dbraw/zinc/81/65/03/827816503.db2.gz OPTMDUCJRIUXIU-NEPJUHHUSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](O)C[NH2+]CC2CC2)nn1 ZINC001272536455 827817240 /nfs/dbraw/zinc/81/72/40/827817240.db2.gz DQFWCHFNNZUEAJ-LLVKDONJSA-N 1 0 279.344 -0.446 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001272552946 827818748 /nfs/dbraw/zinc/81/87/48/827818748.db2.gz MHXGGBFCEWPKEZ-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001272552869 827818885 /nfs/dbraw/zinc/81/88/85/827818885.db2.gz 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C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C(F)F ZINC001273229583 827875765 /nfs/dbraw/zinc/87/57/65/827875765.db2.gz JXCGOIJMGXHNDY-VIFPVBQESA-N 1 0 275.299 -0.173 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC001273244257 827876711 /nfs/dbraw/zinc/87/67/11/827876711.db2.gz NTTZSTCNZKKLIP-LBPRGKRZSA-N 1 0 272.308 -0.050 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001273252581 827878253 /nfs/dbraw/zinc/87/82/53/827878253.db2.gz UDGRWOCPQVMNLZ-YPMHNXCESA-N 1 0 272.345 -0.877 20 30 CBEDRO C#CCCCC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001273251105 827878577 /nfs/dbraw/zinc/87/85/77/827878577.db2.gz JDOUQQANMZQGMY-CHWSQXEVSA-N 1 0 293.367 -0.505 20 30 CBEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001273251889 827878851 /nfs/dbraw/zinc/87/88/51/827878851.db2.gz OEHHBHNJDLBJTK-QWRGUYRKSA-N 1 0 283.328 -0.512 20 30 CBEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001273251290 827879236 /nfs/dbraw/zinc/87/92/36/827879236.db2.gz 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ZINC001273286621 827886082 /nfs/dbraw/zinc/88/60/82/827886082.db2.gz WJIUKFKKIHWSOG-QWHCGFSZSA-N 1 0 293.367 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cnn2C)CCO1 ZINC001273299165 827886934 /nfs/dbraw/zinc/88/69/34/827886934.db2.gz ATHOWNOPFYRYMT-LBPRGKRZSA-N 1 0 276.340 -0.208 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2n[nH]nc2C)CCO1 ZINC001273301340 827887991 /nfs/dbraw/zinc/88/79/91/827887991.db2.gz SMHICCIKFACSLT-SNVBAGLBSA-N 1 0 263.301 -0.823 20 30 CBEDRO CCN(CC[NH2+]C[C@H](O)COC)C(=O)c1ccc(C#N)[nH]1 ZINC001273335650 827890339 /nfs/dbraw/zinc/89/03/39/827890339.db2.gz ZTILXJQLXGGADH-LBPRGKRZSA-N 1 0 294.355 -0.055 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@@H+](CCCOCOC)C2)OCC1=O ZINC001273465447 827901080 /nfs/dbraw/zinc/90/10/80/827901080.db2.gz BSPLUUVTJVAFPD-HNNXBMFYSA-N 1 0 296.367 -0.067 20 30 CBEDRO C#CC[N@@H+](C)CCCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001273501856 827904116 /nfs/dbraw/zinc/90/41/16/827904116.db2.gz PDKDBXDXRQLOKV-UHFFFAOYSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CCN1C[C@@]2(CC[N@@H+](CCOC)C2)OCC1=O ZINC001273505518 827905166 /nfs/dbraw/zinc/90/51/66/827905166.db2.gz CKZSGHPOBJPKHU-ZDUSSCGKSA-N 1 0 252.314 -0.431 20 30 CBEDRO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCOC)C2 ZINC001273505616 827905746 /nfs/dbraw/zinc/90/57/46/827905746.db2.gz FCFJHFJWPZLWDM-AWEZNQCLSA-N 1 0 266.341 -0.183 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1ccc2nnnn2c1 ZINC001273505938 827905932 /nfs/dbraw/zinc/90/59/32/827905932.db2.gz CVGCQNWSZAGCQL-UHFFFAOYSA-N 1 0 272.312 -0.191 20 30 CBEDRO C#CCN1C[C@]2(CC[N@@H+](CCOC)C2)OCC1=O ZINC001273505517 827906020 /nfs/dbraw/zinc/90/60/20/827906020.db2.gz CKZSGHPOBJPKHU-CYBMUJFWSA-N 1 0 252.314 -0.431 20 30 CBEDRO C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCNC1=O ZINC001273523940 827907916 /nfs/dbraw/zinc/90/79/16/827907916.db2.gz ISBLGZIHFPFSSR-LBPRGKRZSA-N 1 0 265.357 -0.074 20 30 CBEDRO C=CCC[NH2+]CCN(CC)C(=O)c1nnn(C)n1 ZINC001273553753 827910333 /nfs/dbraw/zinc/91/03/33/827910333.db2.gz AKYKSHJNRAGHDF-UHFFFAOYSA-N 1 0 252.322 -0.162 20 30 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AXNJBFHLYRVZFV-GHMZBOCLSA-N 1 0 264.329 -0.728 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001277924157 828220053 /nfs/dbraw/zinc/22/00/53/828220053.db2.gz AXNJBFHLYRVZFV-QWRGUYRKSA-N 1 0 264.329 -0.728 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001277924812 828220228 /nfs/dbraw/zinc/22/02/28/828220228.db2.gz PFKGSLSVVJLQJW-NSHDSACASA-N 1 0 274.324 -0.013 20 30 CBEDRO C[C@H](CN(C)C(=O)c1ccnnc1)[NH2+]CC(=O)NCC#N ZINC001277945605 828221068 /nfs/dbraw/zinc/22/10/68/828221068.db2.gz FHSFUNNITNXTRD-SNVBAGLBSA-N 1 0 290.327 -0.834 20 30 CBEDRO CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277938911 828221694 /nfs/dbraw/zinc/22/16/94/828221694.db2.gz HVHATPQRXHERDT-NWDGAFQWSA-N 1 0 250.346 -0.006 20 30 CBEDRO C#CC[NH2+][C@H](C)CN(C)C(=O)CCCS(C)(=O)=O ZINC001277962246 828224255 /nfs/dbraw/zinc/22/42/55/828224255.db2.gz FBPBJQVROILOEK-LLVKDONJSA-N 1 0 274.386 -0.119 20 30 CBEDRO COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001277973014 828225434 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C#CCC[NH2+][C@H](CO)CNC(=O)c1cnc(C)cn1 ZINC001278041095 828235456 /nfs/dbraw/zinc/23/54/56/828235456.db2.gz HYBSUTGUEOTPQA-NSHDSACASA-N 1 0 262.313 -0.511 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CCCC1 ZINC001278041480 828236038 /nfs/dbraw/zinc/23/60/38/828236038.db2.gz OGZGTXRTXMJSMZ-GFCCVEGCSA-N 1 0 296.371 -0.727 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(C)noc1C ZINC001278047468 828236455 /nfs/dbraw/zinc/23/64/55/828236455.db2.gz DGLKJFXWTRBHON-JTQLQIEISA-N 1 0 251.286 -0.395 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(CC)n[nH]1 ZINC001278049231 828238350 /nfs/dbraw/zinc/23/83/50/828238350.db2.gz WGRJEVOAJXZIPB-NSHDSACASA-N 1 0 264.329 -0.324 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CCOC1 ZINC001278062006 828239642 /nfs/dbraw/zinc/23/96/42/828239642.db2.gz PHBNEMUPDPPINE-CHWSQXEVSA-N 1 0 284.356 -0.871 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCOC1 ZINC001278060578 828239824 /nfs/dbraw/zinc/23/98/24/828239824.db2.gz FXVCSMQLPOXZBB-NEPJUHHUSA-N 1 0 254.330 -0.497 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001278069537 828240368 /nfs/dbraw/zinc/24/03/68/828240368.db2.gz BFKVMIOVBNVEJG-VHSXEESVSA-N 1 0 272.349 -0.924 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001278070007 828240928 /nfs/dbraw/zinc/24/09/28/828240928.db2.gz FXPNPWJISUDUJL-NEPJUHHUSA-N 1 0 284.356 -0.028 20 30 CBEDRO C[C@@H](O)CCC[NH2+][C@H](CO)CNC(=O)c1c[nH]c(C#N)c1 ZINC001278071249 828241279 /nfs/dbraw/zinc/24/12/79/828241279.db2.gz MWZRPFMFACZIPX-MFKMUULPSA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001278072942 828242061 /nfs/dbraw/zinc/24/20/61/828242061.db2.gz WQSQRZKMAFWLFM-GXTWGEPZSA-N 1 0 268.357 -0.373 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001278094711 828244618 /nfs/dbraw/zinc/24/46/18/828244618.db2.gz YGHVWCIHQZANQA-RYUDHWBXSA-N 1 0 283.372 -0.455 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccns1 ZINC001278093021 828244765 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CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001278094057 828245413 /nfs/dbraw/zinc/24/54/13/828245413.db2.gz SBBCQVPPWRHSAQ-CYBMUJFWSA-N 1 0 278.356 -0.639 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001278099242 828246313 /nfs/dbraw/zinc/24/63/13/828246313.db2.gz GZKCQXIATFXPPM-WFASDCNBSA-N 1 0 297.399 -0.064 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnc2n[nH]cc2c1 ZINC001278100143 828247605 /nfs/dbraw/zinc/24/76/05/828247605.db2.gz UTHCRIFRSIOGTA-GFCCVEGCSA-N 1 0 287.323 -0.339 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001278099765 828247628 /nfs/dbraw/zinc/24/76/28/828247628.db2.gz OUINHIJHLVBBDQ-NEPJUHHUSA-N 1 0 283.372 -0.502 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1CC(OC)C1 ZINC001278100357 828247652 /nfs/dbraw/zinc/24/76/52/828247652.db2.gz XIHCVZJVXLWTAI-CPCZMJQVSA-N 1 0 284.356 -0.872 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)C1(COCC)CC1 ZINC001278106051 828247667 /nfs/dbraw/zinc/24/76/67/828247667.db2.gz SUEZVROEXYUAQB-LLVKDONJSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cc(CC)nnc1C ZINC001278118839 828250234 /nfs/dbraw/zinc/25/02/34/828250234.db2.gz DKWRTYUZIGZOTM-LBPRGKRZSA-N 1 0 276.340 -0.339 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1ncccc1F ZINC001278137049 828251053 /nfs/dbraw/zinc/25/10/53/828251053.db2.gz BVWDWCYKPSQDCE-NSHDSACASA-N 1 0 279.315 -0.147 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ocnc1CC ZINC001278146214 828251114 /nfs/dbraw/zinc/25/11/14/828251114.db2.gz DTQNVFJWCNOFOM-VIFPVBQESA-N 1 0 251.286 -0.450 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001278139613 828251216 /nfs/dbraw/zinc/25/12/16/828251216.db2.gz TWOTWVIJUOFRMS-CYBMUJFWSA-N 1 0 291.351 -0.190 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ocnc1CC ZINC001278146213 828251284 /nfs/dbraw/zinc/25/12/84/828251284.db2.gz DTQNVFJWCNOFOM-SECBINFHSA-N 1 0 251.286 -0.450 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC1(C)C ZINC001278138781 828251630 /nfs/dbraw/zinc/25/16/30/828251630.db2.gz OOLXUFVCBJBDHR-NWDGAFQWSA-N 1 0 295.383 -0.761 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccnc(C2CC2)n1 ZINC001278164391 828253741 /nfs/dbraw/zinc/25/37/41/828253741.db2.gz DKIXSHSGQJLUGG-NSHDSACASA-N 1 0 274.324 -0.333 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(OC)o1 ZINC001278171099 828254603 /nfs/dbraw/zinc/25/46/03/828254603.db2.gz BCYSWVJRTCRFLO-SECBINFHSA-N 1 0 252.270 -0.398 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1ncccc1F ZINC001278172136 828255249 /nfs/dbraw/zinc/25/52/49/828255249.db2.gz QYLWJROQNGLKFH-SNVBAGLBSA-N 1 0 265.288 -0.076 20 30 CBEDRO CCn1cnc(C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)c1 ZINC001278178581 828255842 /nfs/dbraw/zinc/25/58/42/828255842.db2.gz JAZVSTUYGWFDHD-LBPRGKRZSA-N 1 0 294.355 -0.767 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001278186906 828256671 /nfs/dbraw/zinc/25/66/71/828256671.db2.gz KPMXHZQEDCPTJT-RYUDHWBXSA-N 1 0 290.367 -0.221 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1c(C)nn(C)c1F ZINC001278186875 828256915 /nfs/dbraw/zinc/25/69/15/828256915.db2.gz KGEMTBBFXLXBQU-SNVBAGLBSA-N 1 0 282.319 -0.429 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C#C)cn1 ZINC001278186524 828257144 /nfs/dbraw/zinc/25/71/44/828257144.db2.gz FUNYSGKPDMMGGD-LBPRGKRZSA-N 1 0 257.293 -0.624 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](OC)C1CCCC1 ZINC001278186786 828257274 /nfs/dbraw/zinc/25/72/74/828257274.db2.gz JLMGRFHQAORZDO-STQMWFEESA-N 1 0 268.357 -0.109 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c[nH]c2ncccc12 ZINC001278201614 828258104 /nfs/dbraw/zinc/25/81/04/828258104.db2.gz IBYUSLNNHBOIFV-SNVBAGLBSA-N 1 0 272.308 -0.124 20 30 CBEDRO C#CCN(C(=O)CCNC(N)=O)C1CC[NH+](CC#C)CC1 ZINC001278200967 828258435 /nfs/dbraw/zinc/25/84/35/828258435.db2.gz ZQSANWDHCGMCLB-UHFFFAOYSA-N 1 0 290.367 -0.396 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001278211659 828258957 /nfs/dbraw/zinc/25/89/57/828258957.db2.gz GFYSQKUPAICTQN-PWSUYJOCSA-N 1 0 251.330 -0.275 20 30 CBEDRO 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CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326027841 884879900 /nfs/dbraw/zinc/87/99/00/884879900.db2.gz VDQSACFHCROZGK-NSHDSACASA-N 1 0 295.387 -0.584 20 30 CBEDRO C[NH+]1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC001326058943 884890457 /nfs/dbraw/zinc/89/04/57/884890457.db2.gz ZFMIKZHFLQPPLZ-CQSZACIVSA-N 1 0 294.355 -0.926 20 30 CBEDRO C=CC[NH2+]CCN(CCO)C(=O)c1cnc2nccn2c1 ZINC001326064207 884892968 /nfs/dbraw/zinc/89/29/68/884892968.db2.gz SYLVRNQCCFKLRS-UHFFFAOYSA-N 1 0 289.339 -0.061 20 30 CBEDRO CC#CC[NH2+]CCN(CCO)C(=O)c1c[nH]c(=O)n1C ZINC001326070468 884897944 /nfs/dbraw/zinc/89/79/44/884897944.db2.gz OFNCKVHARVCDRN-UHFFFAOYSA-N 1 0 280.328 -0.827 20 30 CBEDRO C#CC[NH2+]CCN(CCO)C(=O)c1cnn2cccnc12 ZINC001326071319 884897968 /nfs/dbraw/zinc/89/79/68/884897968.db2.gz ZRIJRTKVKZGVTR-UHFFFAOYSA-N 1 0 287.323 -0.613 20 30 CBEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001326078745 884901753 /nfs/dbraw/zinc/90/17/53/884901753.db2.gz 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C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001331727522 886938853 /nfs/dbraw/zinc/93/88/53/886938853.db2.gz YTRDZWSKFXIMFM-CYBMUJFWSA-N 1 0 280.372 -0.086 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn2c1CCC2 ZINC001331726008 886938901 /nfs/dbraw/zinc/93/89/01/886938901.db2.gz RIAVYGDBFORMEZ-NSHDSACASA-N 1 0 276.340 -0.467 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1ccnc2ccnn21 ZINC001331727727 886939069 /nfs/dbraw/zinc/93/90/69/886939069.db2.gz ZYJOQJRBUQXOPI-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ncccc1NC(C)=O ZINC001331725012 886939191 /nfs/dbraw/zinc/93/91/91/886939191.db2.gz JGBCZPFXPZZDEW-NSHDSACASA-N 1 0 290.323 -0.647 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1cn(C)nc1C ZINC001331727151 886939453 /nfs/dbraw/zinc/93/94/53/886939453.db2.gz WNXFHAIBDVOECC-CYBMUJFWSA-N 1 0 278.356 -0.639 20 30 CBEDRO N#CCC1(CNC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001331731426 886942572 /nfs/dbraw/zinc/94/25/72/886942572.db2.gz MJSXEJZHSOUIMF-UHFFFAOYSA-N 1 0 282.344 -0.722 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(COC)o1 ZINC001331738471 886946048 /nfs/dbraw/zinc/94/60/48/886946048.db2.gz BXDRZLSPDOBLCV-SNVBAGLBSA-N 1 0 266.297 -0.261 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001331740122 886949929 /nfs/dbraw/zinc/94/99/29/886949929.db2.gz NYWOOMVXJHZEPX-RYUDHWBXSA-N 1 0 276.340 -0.855 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)CCc1ccon1 ZINC001331757142 886958770 /nfs/dbraw/zinc/95/87/70/886958770.db2.gz JJHKYWCKCDFUDV-ZDUSSCGKSA-N 1 0 295.339 -0.676 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001331755828 886958899 /nfs/dbraw/zinc/95/88/99/886958899.db2.gz DUQCBFLEHVFLEZ-GFCCVEGCSA-N 1 0 277.324 -0.337 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001331770041 886967800 /nfs/dbraw/zinc/96/78/00/886967800.db2.gz FSEARVPQNWCXJC-BXUZGUMPSA-N 1 0 283.372 -0.455 20 30 CBEDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CC#N)CC1 ZINC001331774767 886970621 /nfs/dbraw/zinc/97/06/21/886970621.db2.gz NKPIIBRFFYXXMV-UHFFFAOYSA-N 1 0 296.371 -0.428 20 30 CBEDRO CC(C)(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)C1CC1 ZINC001331772820 886971045 /nfs/dbraw/zinc/97/10/45/886971045.db2.gz RSLHVFNCTXISTJ-LLVKDONJSA-N 1 0 296.371 -0.871 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)Cc1ncccc1OC ZINC001331772956 886972362 /nfs/dbraw/zinc/97/23/62/886972362.db2.gz AYZQRAOAAXBOBY-LLVKDONJSA-N 1 0 279.340 -0.115 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)Cc1ccc(OC)cn1 ZINC001331775337 886974799 /nfs/dbraw/zinc/97/47/99/886974799.db2.gz RSOWZUZEJHIWEQ-LBPRGKRZSA-N 1 0 279.340 -0.115 20 30 CBEDRO CC#CCN(C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001331781460 886977891 /nfs/dbraw/zinc/97/78/91/886977891.db2.gz YGZWJEBDUSBTCF-GASCZTMLSA-N 1 0 277.368 -0.074 20 30 CBEDRO C=CCC1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CCC1 ZINC001331788437 886980283 /nfs/dbraw/zinc/98/02/83/886980283.db2.gz VVFQULQEMPTBHM-NEPJUHHUSA-N 1 0 295.383 -0.312 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccn(C(C)C)n1 ZINC001331789058 886981018 /nfs/dbraw/zinc/98/10/18/886981018.db2.gz FDWXPKPIMHKMMP-NSHDSACASA-N 1 0 264.329 -0.223 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1nccn2ccnc12 ZINC001331790639 886986162 /nfs/dbraw/zinc/98/61/62/886986162.db2.gz QRRKPUWOFRXSCX-LLVKDONJSA-N 1 0 289.339 -0.014 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001331804202 886987667 /nfs/dbraw/zinc/98/76/67/886987667.db2.gz HRMRPSVZGMGKEJ-GXTWGEPZSA-N 1 0 292.383 -0.311 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001331806198 886991662 /nfs/dbraw/zinc/99/16/62/886991662.db2.gz WMRUWOLTYQDGKT-NEPJUHHUSA-N 1 0 283.372 -0.312 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@H](CO)[NH2+]CC)nn1 ZINC001331805286 886991777 /nfs/dbraw/zinc/99/17/77/886991777.db2.gz RIPZKIQMLBATQY-SECBINFHSA-N 1 0 253.306 -0.836 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1nc(C)oc1C ZINC001331804581 886992121 /nfs/dbraw/zinc/99/21/21/886992121.db2.gz JIAZJQCHLGDVOO-NSHDSACASA-N 1 0 265.313 -0.005 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1nocc1C ZINC001331823919 887001481 /nfs/dbraw/zinc/00/14/81/887001481.db2.gz FNIWJKRFOYYRQK-LLVKDONJSA-N 1 0 281.312 -0.687 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1c(C)noc1C ZINC001331835658 887004209 /nfs/dbraw/zinc/00/42/09/887004209.db2.gz MLDYXGARFAXEMN-GFCCVEGCSA-N 1 0 279.340 -0.076 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CCCn1cccc1 ZINC001331833681 887004364 /nfs/dbraw/zinc/00/43/64/887004364.db2.gz BYERHUCMJJUVGK-ZDUSSCGKSA-N 1 0 263.341 -0.032 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001331839080 887009466 /nfs/dbraw/zinc/00/94/66/887009466.db2.gz AYUQTFWSYLWBBM-LLVKDONJSA-N 1 0 292.339 -0.563 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001331849484 887011767 /nfs/dbraw/zinc/01/17/67/887011767.db2.gz BQCAXDWVBFSJOS-PWSUYJOCSA-N 1 0 251.330 -0.275 20 30 CBEDRO CCNC(=O)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H]1C ZINC001331879598 887025235 /nfs/dbraw/zinc/02/52/35/887025235.db2.gz RCGWAKZDLWTQRT-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NCc1nnc(C)n1C ZINC001331922813 887044063 /nfs/dbraw/zinc/04/40/63/887044063.db2.gz OPLYFSZLNIRRGB-NSHDSACASA-N 1 0 261.329 -0.163 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC001331921558 887044374 /nfs/dbraw/zinc/04/43/74/887044374.db2.gz XQDYXMCLXCICGR-UHFFFAOYSA-N 1 0 294.355 -0.305 20 30 CBEDRO COCC#CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001331931140 887051512 /nfs/dbraw/zinc/05/15/12/887051512.db2.gz LXDADGJMGJWHQY-NEPJUHHUSA-N 1 0 253.346 -0.613 20 30 CBEDRO CC(=O)NCCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331957466 887059872 /nfs/dbraw/zinc/05/98/72/887059872.db2.gz KRYWPFSBFNUUPC-LXVYMNJGSA-N 1 0 278.356 -0.232 20 30 CBEDRO C=CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC001331964989 887067313 /nfs/dbraw/zinc/06/73/13/887067313.db2.gz AHAQIYDMUDCGPY-NEPJUHHUSA-N 1 0 295.383 -0.014 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC001331982027 887075307 /nfs/dbraw/zinc/07/53/07/887075307.db2.gz VAXOABASYMQUEJ-RWMBFGLXSA-N 1 0 290.367 -0.041 20 30 CBEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC[NH2+]1 ZINC001332000960 887081508 /nfs/dbraw/zinc/08/15/08/887081508.db2.gz OXFVHIGGGIRNKU-MNOVXSKESA-N 1 0 264.329 -0.431 20 30 CBEDRO N#Cc1cnn2cc(C[NH2+]CCN3CCNC3=O)cnc12 ZINC001332024669 887088757 /nfs/dbraw/zinc/08/87/57/887088757.db2.gz JHQOZIGZXTZXSO-UHFFFAOYSA-N 1 0 285.311 -0.284 20 30 CBEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CS(=O)(=O)N(C)C)C1 ZINC001332051746 887093377 /nfs/dbraw/zinc/09/33/77/887093377.db2.gz ZQMLFFGABCZWEV-WDEREUQCSA-N 1 0 287.385 -0.910 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001447722763 913112939 /nfs/dbraw/zinc/11/29/39/913112939.db2.gz RBVPWLKFCCZBLX-DCQANWLSSA-N 1 0 278.356 -0.329 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001332102433 887110875 /nfs/dbraw/zinc/11/08/75/887110875.db2.gz GEYDSYAKWFLHFU-LBPRGKRZSA-N 1 0 290.385 -0.840 20 30 CBEDRO [NH3+][C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCC1 ZINC001332125638 887120702 /nfs/dbraw/zinc/12/07/02/887120702.db2.gz RUKZNQFQWHJSFK-UWYSJPFYSA-N 1 0 292.339 -0.244 20 30 CBEDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001332124212 887121089 /nfs/dbraw/zinc/12/10/89/887121089.db2.gz DWODAYKBMGVPTK-YQUZWJGVSA-N 1 0 292.339 -0.373 20 30 CBEDRO [NH3+][C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)C1CCC1 ZINC001332125636 887121470 /nfs/dbraw/zinc/12/14/70/887121470.db2.gz RUKZNQFQWHJSFK-DLGQCPFBSA-N 1 0 292.339 -0.244 20 30 CBEDRO C[NH+](C)CCn1nccc1C(=O)N[C@H](C#N)CO ZINC001332133960 887123548 /nfs/dbraw/zinc/12/35/48/887123548.db2.gz YLNGXZHOCNLWLG-SECBINFHSA-N 1 0 251.290 -0.941 20 30 CBEDRO COc1c(C(=O)NCC#CC[NH+](C)C)cnn1C ZINC001332229997 887164185 /nfs/dbraw/zinc/16/41/85/887164185.db2.gz VLYCVRKDLCWMES-UHFFFAOYSA-N 1 0 250.302 -0.277 20 30 CBEDRO C#CCNC(=O)CCNCc1nnc(C2CCOCC2)[nH]1 ZINC001332239397 887168067 /nfs/dbraw/zinc/16/80/67/887168067.db2.gz VBXSTSJYGUBNPF-UHFFFAOYSA-N 1 0 291.355 -0.072 20 30 CBEDRO C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001332343087 887213778 /nfs/dbraw/zinc/21/37/78/887213778.db2.gz XNJKUXBUQLKPIV-WDEREUQCSA-N 1 0 287.385 -0.957 20 30 CBEDRO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001332356753 887222544 /nfs/dbraw/zinc/22/25/44/887222544.db2.gz VDSQKZQISDCGFV-AWEZNQCLSA-N 1 0 296.371 -0.726 20 30 CBEDRO CNC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001447778927 913124502 /nfs/dbraw/zinc/12/45/02/913124502.db2.gz JRPPXZKYMSSIMZ-UHFFFAOYSA-N 1 0 289.339 -0.270 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCOC)C(N)=O ZINC001332408316 887264607 /nfs/dbraw/zinc/26/46/07/887264607.db2.gz IEWOLFZUNCNSCR-JTQLQIEISA-N 1 0 257.334 -0.499 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001332486727 887314635 /nfs/dbraw/zinc/31/46/35/887314635.db2.gz BIQDZHJZAPHXPZ-NWDGAFQWSA-N 1 0 254.330 -0.545 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001332490995 887317692 /nfs/dbraw/zinc/31/76/92/887317692.db2.gz PNPSMLSDSHAQCE-SECBINFHSA-N 1 0 268.342 -0.416 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1[nH]ccc1C ZINC001332504117 887325776 /nfs/dbraw/zinc/32/57/76/887325776.db2.gz KSDQTVYSDUAMSK-ZDUSSCGKSA-N 1 0 293.367 -0.005 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001332504578 887326021 /nfs/dbraw/zinc/32/60/21/887326021.db2.gz OHOMXXMUFLBRQM-CYBMUJFWSA-N 1 0 276.340 -0.169 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@](C)(O)C=C ZINC001332504584 887326958 /nfs/dbraw/zinc/32/69/58/887326958.db2.gz OOFMITAXRAXCDP-OCCSQVGLSA-N 1 0 268.357 -0.254 20 30 CBEDRO C#CCOCCC(=O)N(C)C[C@H](O)C[NH2+]C(C)C ZINC001332504156 887327060 /nfs/dbraw/zinc/32/70/60/887327060.db2.gz OLQPKFWPMBOHBU-GFCCVEGCSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccnc2ccnn21 ZINC001332520294 887337456 /nfs/dbraw/zinc/33/74/56/887337456.db2.gz ADJGZPORMSCJBC-NSHDSACASA-N 1 0 287.323 -0.615 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001332524036 887338965 /nfs/dbraw/zinc/33/89/65/887338965.db2.gz ZYTFPDYREFOOGA-JTQLQIEISA-N 1 0 280.328 -0.516 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn2c(n1)COCC2 ZINC001332527183 887339145 /nfs/dbraw/zinc/33/91/45/887339145.db2.gz ASRKZFMXMOHBBM-LLVKDONJSA-N 1 0 294.355 -0.378 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn2cccnc2n1 ZINC001332536241 887341845 /nfs/dbraw/zinc/34/18/45/887341845.db2.gz CZLJEOPDXMJMEZ-LLVKDONJSA-N 1 0 287.323 -0.615 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1nccn1C ZINC001332547640 887347711 /nfs/dbraw/zinc/34/77/11/887347711.db2.gz RJIFSKPIUCHOPI-LBPRGKRZSA-N 1 0 278.356 -0.605 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001332547531 887348896 /nfs/dbraw/zinc/34/88/96/887348896.db2.gz PYROYEFMCKIOFI-LLVKDONJSA-N 1 0 293.323 -0.576 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001332561847 887355852 /nfs/dbraw/zinc/35/58/52/887355852.db2.gz 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C#CCN(C(=O)C[C@@H]1CC(=O)N1)C1CC[NH+](C)CC1 ZINC001333527142 887677631 /nfs/dbraw/zinc/67/76/31/887677631.db2.gz CXFWMHSTANLRLN-NSHDSACASA-N 1 0 263.341 -0.179 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001333609879 887717173 /nfs/dbraw/zinc/71/71/73/887717173.db2.gz BVXPRTIHUNBCOU-YNEHKIRRSA-N 1 0 293.367 -0.710 20 30 CBEDRO C=CCN(C(=O)[C@@H]([NH3+])CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001333630991 887725832 /nfs/dbraw/zinc/72/58/32/887725832.db2.gz LPDOJDGGOHHAER-MNOVXSKESA-N 1 0 290.385 -0.448 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001333751071 887758634 /nfs/dbraw/zinc/75/86/34/887758634.db2.gz KBJZZOPLQWDWCH-UWVGGRQHSA-N 1 0 260.359 -0.299 20 30 CBEDRO C=C(C)COCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333958051 887818799 /nfs/dbraw/zinc/81/87/99/887818799.db2.gz AAQWPBUFOPBERV-QWRGUYRKSA-N 1 0 267.329 -0.732 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)CCC[C@]1(C)NC(=O)NC1=O ZINC001334252489 887907357 /nfs/dbraw/zinc/90/73/57/887907357.db2.gz 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C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](C#N)C1 ZINC001335235548 888461077 /nfs/dbraw/zinc/46/10/77/888461077.db2.gz YEGWNQBHEZLIBK-SNVBAGLBSA-N 1 0 252.318 -0.526 20 30 CBEDRO N#CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001335252048 888469228 /nfs/dbraw/zinc/46/92/28/888469228.db2.gz KAKCLIUPXDMBLV-GRYCIOLGSA-N 1 0 276.340 -0.242 20 30 CBEDRO N#CCCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001335256173 888471800 /nfs/dbraw/zinc/47/18/00/888471800.db2.gz WLDHNHLLLAOBLB-KXUCPTDWSA-N 1 0 250.302 -0.585 20 30 CBEDRO C[NH+]=C(NCCn1cncn1)NCc1cc(C)on1 ZINC001335284844 888483865 /nfs/dbraw/zinc/48/38/65/888483865.db2.gz YSADNJDWYHZOFA-UHFFFAOYSA-N 1 0 263.305 -0.060 20 30 CBEDRO C=CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001335289257 888485977 /nfs/dbraw/zinc/48/59/77/888485977.db2.gz QNIFITPDHRFOCP-MROQNXINSA-N 1 0 293.367 -0.201 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001335292085 888486509 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272.370 -0.367 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001341613827 889631889 /nfs/dbraw/zinc/63/18/89/889631889.db2.gz KMYCRPCAKNSLQH-LLVKDONJSA-N 1 0 261.329 -0.662 20 30 CBEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)NCC)CC1 ZINC001341643712 889640243 /nfs/dbraw/zinc/64/02/43/889640243.db2.gz CREKIQFEPPMNMP-ZDUSSCGKSA-N 1 0 296.415 -0.050 20 30 CBEDRO C=CCNC(=O)CNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001341718843 889650994 /nfs/dbraw/zinc/65/09/94/889650994.db2.gz OGJRCMFHIKNFPX-UHFFFAOYSA-N 1 0 274.324 -0.241 20 30 CBEDRO C#CC[NH2+]CC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC001341762765 889660564 /nfs/dbraw/zinc/66/05/64/889660564.db2.gz BIEQQTKXLCZGDE-CYBMUJFWSA-N 1 0 258.325 -0.223 20 30 CBEDRO C#CC[NH2+]CC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC001341858886 889676032 /nfs/dbraw/zinc/67/60/32/889676032.db2.gz UWELJMMKIAAEHE-UHFFFAOYSA-N 1 0 286.378 -0.009 20 30 CBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001341856144 889676751 /nfs/dbraw/zinc/67/67/51/889676751.db2.gz 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ZINC001353311001 891402104 /nfs/dbraw/zinc/40/21/04/891402104.db2.gz NNFWZIIKGYJEQG-GHMZBOCLSA-N 1 0 256.350 -0.693 20 30 CBEDRO CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C(=O)NC ZINC001353311008 891403123 /nfs/dbraw/zinc/40/31/23/891403123.db2.gz NNFWZIIKGYJEQG-QWRGUYRKSA-N 1 0 256.350 -0.693 20 30 CBEDRO CN(C)C[C@](C)(O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001353325461 891405501 /nfs/dbraw/zinc/40/55/01/891405501.db2.gz AYFPXBNPOMXCOT-VXGBXAGGSA-N 1 0 255.362 -0.057 20 30 CBEDRO C=CCOCCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001353392268 891419508 /nfs/dbraw/zinc/41/95/08/891419508.db2.gz LHCYDDPQEAVWLM-LLVKDONJSA-N 1 0 257.334 -0.181 20 30 CBEDRO C#CCn1cc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cn1 ZINC001353353034 891411307 /nfs/dbraw/zinc/41/13/07/891411307.db2.gz HYLNQOBNRPFQTN-KBPBESRZSA-N 1 0 279.340 -0.492 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001353882945 891481874 /nfs/dbraw/zinc/48/18/74/891481874.db2.gz OYLZUOFQQCWJNK-DGCLKSJQSA-N 1 0 279.344 -0.163 20 30 CBEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC001353883934 891482823 /nfs/dbraw/zinc/48/28/23/891482823.db2.gz PKPFXYBDZCXSPU-UHFFFAOYSA-N 1 0 289.401 -0.226 20 30 CBEDRO C#CC[NH2+]CC(=O)N1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC001354475894 891587234 /nfs/dbraw/zinc/58/72/34/891587234.db2.gz XDTZRCHNCBHWPI-ZWNOBZJWSA-N 1 0 268.313 -0.612 20 30 CBEDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1cnc(C#N)n1 ZINC001354894454 891626667 /nfs/dbraw/zinc/62/66/67/891626667.db2.gz XHMQJRITDRPRIK-GUBZILKMSA-N 1 0 262.317 -0.253 20 30 CBEDRO C#CCC1(O)CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001354893137 891627638 /nfs/dbraw/zinc/62/76/38/891627638.db2.gz UAAKLOOCVCYAOJ-ZFWWWQNUSA-N 1 0 283.368 -0.261 20 30 CBEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001354977318 891634200 /nfs/dbraw/zinc/63/42/00/891634200.db2.gz CALHTLWJQPJUQA-NEPJUHHUSA-N 1 0 268.357 -0.114 20 30 CBEDRO C=C(CO)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001355163508 891656525 /nfs/dbraw/zinc/65/65/25/891656525.db2.gz CDYRKMKDKZCBEO-NEPJUHHUSA-N 1 0 254.330 -0.408 20 30 CBEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001355335444 891669164 /nfs/dbraw/zinc/66/91/64/891669164.db2.gz QNPXUJALAKVZGN-AEJSXWLSSA-N 1 0 276.358 -0.221 20 30 CBEDRO O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001355390460 891670793 /nfs/dbraw/zinc/67/07/93/891670793.db2.gz PDKHEPLZLDVPFO-BETUJISGSA-N 1 0 296.392 -0.508 20 30 CBEDRO C=CCNC(=O)Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC001355415997 891676965 /nfs/dbraw/zinc/67/69/65/891676965.db2.gz ZTSBVLHCZRVKRJ-UHFFFAOYSA-N 1 0 292.387 -0.236 20 30 CBEDRO C=CCC1(O)CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC001356217171 891738098 /nfs/dbraw/zinc/73/80/98/891738098.db2.gz KWGIZOSGEZCOEA-UHFFFAOYSA-N 1 0 297.399 -0.064 20 30 CBEDRO C#CCSCCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001356437563 891758909 /nfs/dbraw/zinc/75/89/09/891758909.db2.gz MBJWUDNZHHQFJA-MNOVXSKESA-N 1 0 283.397 -0.559 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC001356441854 891759438 /nfs/dbraw/zinc/75/94/38/891759438.db2.gz XAPZFCGMFPMZID-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001356437923 891759571 /nfs/dbraw/zinc/75/95/71/891759571.db2.gz DGTTVTIQKIFKKC-VXGBXAGGSA-N 1 0 281.356 -0.804 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC[C@]1(O)CCCOC1 ZINC001356630286 891782799 /nfs/dbraw/zinc/78/27/99/891782799.db2.gz WJHUKTBTXMALOR-ZIAGYGMSSA-N 1 0 285.388 -0.286 20 30 CBEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CSCC#N)C1 ZINC001356744054 891793366 /nfs/dbraw/zinc/79/33/66/891793366.db2.gz RMYUQHWYUGTWGF-NSHDSACASA-N 1 0 296.396 -0.336 20 30 CBEDRO CC(C)C#CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001356762016 891805488 /nfs/dbraw/zinc/80/54/88/891805488.db2.gz FLPFZRDHMIMQBK-GFCCVEGCSA-N 1 0 277.368 -0.076 20 30 CBEDRO C=CCOCC(=O)N1CC(NC(=O)CCc2c[nH]cn2)C1 ZINC001356769777 891805912 /nfs/dbraw/zinc/80/59/12/891805912.db2.gz JIDXDKMMBRXNEA-UHFFFAOYSA-N 1 0 292.339 -0.128 20 30 CBEDRO COc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)sn1 ZINC001357446653 891892304 /nfs/dbraw/zinc/89/23/04/891892304.db2.gz TZYLRKYNTIYOIL-RQJHMYQMSA-N 1 0 252.299 -0.007 20 30 CBEDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)sn1 ZINC001357446651 891892844 /nfs/dbraw/zinc/89/28/44/891892844.db2.gz TZYLRKYNTIYOIL-NKWVEPMBSA-N 1 0 252.299 -0.007 20 30 CBEDRO C=C[C@@](C)(O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001357912136 891942637 /nfs/dbraw/zinc/94/26/37/891942637.db2.gz CBAWMKNKPCMSKR-CQSZACIVSA-N 1 0 296.371 -0.907 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC001357939858 891946951 /nfs/dbraw/zinc/94/69/51/891946951.db2.gz YSYRLCKIMKHUBG-RYUDHWBXSA-N 1 0 282.340 -0.316 20 30 CBEDRO C#CC[NH2+]CC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC001357939856 891947786 /nfs/dbraw/zinc/94/77/86/891947786.db2.gz YSYRLCKIMKHUBG-NWDGAFQWSA-N 1 0 282.340 -0.316 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC001449790751 913613995 /nfs/dbraw/zinc/61/39/95/913613995.db2.gz UMTQDKCIKMLTNQ-SNVBAGLBSA-N 1 0 277.390 -0.452 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001358233956 891981304 /nfs/dbraw/zinc/98/13/04/891981304.db2.gz KHUPIVBXQUUFPR-XQQFMLRXSA-N 1 0 290.367 -0.135 20 30 CBEDRO C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1O ZINC001358421548 892003061 /nfs/dbraw/zinc/00/30/61/892003061.db2.gz SBJVCUJUVJOJKP-VSGBTXLYSA-N 1 0 263.341 -0.035 20 30 CBEDRO C[C@@H](CNC(=O)C#CC1CC1)NC(=O)CC[NH+](C)C ZINC001358539536 892022862 /nfs/dbraw/zinc/02/28/62/892022862.db2.gz VBDJLYFHSHZMQQ-NSHDSACASA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCN(CC#C)c1nnc(C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001358970550 892062504 /nfs/dbraw/zinc/06/25/04/892062504.db2.gz RECVWBCKOGZWEV-HNNXBMFYSA-N 1 0 287.367 -0.274 20 30 CBEDRO Cn1c(C#N)ccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC001361611218 892164043 /nfs/dbraw/zinc/16/40/43/892164043.db2.gz RYVFLXDQOIGTNF-UHFFFAOYSA-N 1 0 275.356 -0.126 20 30 CBEDRO N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001362146892 892467177 /nfs/dbraw/zinc/46/71/77/892467177.db2.gz LPMOYOWZDOUOHR-MGPQQGTHSA-N 1 0 292.383 -0.331 20 30 CBEDRO C[NH+]1CCC(O)(CNC(=O)C2(C#N)CCOCC2)CC1 ZINC001362342253 892610749 /nfs/dbraw/zinc/61/07/49/892610749.db2.gz XUKKKKPOLHKAMT-UHFFFAOYSA-N 1 0 281.356 -0.120 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001450499085 913701801 /nfs/dbraw/zinc/70/18/01/913701801.db2.gz QQOPVEUBGVSRDA-JTQLQIEISA-N 1 0 276.340 -0.431 20 30 CBEDRO C[N@H+](CC(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCC[C@H]1O ZINC001362829098 893080773 /nfs/dbraw/zinc/08/07/73/893080773.db2.gz HODKYCGKKJNGSM-YRGRVCCFSA-N 1 0 281.356 -0.291 20 30 CBEDRO CC(C)(C)[NH2+]CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001362969065 893212842 /nfs/dbraw/zinc/21/28/42/893212842.db2.gz KXRMKTXMCCMUAC-GWCFXTLKSA-N 1 0 299.396 -0.229 20 30 CBEDRO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC001363800816 894009836 /nfs/dbraw/zinc/00/98/36/894009836.db2.gz HZJOVGNBKIDEMN-GFCCVEGCSA-N 1 0 291.355 -0.290 20 30 CBEDRO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC001363811482 894025746 /nfs/dbraw/zinc/02/57/46/894025746.db2.gz XLGPDYBKTVWEQL-OCCSQVGLSA-N 1 0 284.356 -0.371 20 30 CBEDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001363980476 894127957 /nfs/dbraw/zinc/12/79/57/894127957.db2.gz OQKHRTPIBRRZKI-GFCCVEGCSA-N 1 0 296.352 -0.702 20 30 CBEDRO COCCN(CCC#N)CCC(=O)N(C)CC(=O)OC ZINC001364335530 894346981 /nfs/dbraw/zinc/34/69/81/894346981.db2.gz XKHIGRGWDAJCBC-UHFFFAOYSA-N 1 0 285.344 -0.130 20 30 CBEDRO N#CC[C@@H](O)C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC001364417223 894403619 /nfs/dbraw/zinc/40/36/19/894403619.db2.gz HZSIHEVIKCBOAW-SNVBAGLBSA-N 1 0 292.343 -0.524 20 30 CBEDRO C[N@@H+]1CCC[C@@H]1CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001364815063 894634165 /nfs/dbraw/zinc/63/41/65/894634165.db2.gz MXDUJBVZPJXPJT-YNEHKIRRSA-N 1 0 283.397 -0.049 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001451699816 913894797 /nfs/dbraw/zinc/89/47/97/913894797.db2.gz UPVNQUJIQCPTBP-SNVBAGLBSA-N 1 0 264.333 -0.388 20 30 CBEDRO N#Cc1cc(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cs1 ZINC001364984074 894709363 /nfs/dbraw/zinc/70/93/63/894709363.db2.gz KSOQHUKBALSRSJ-NXEZZACHSA-N 1 0 278.337 -0.362 20 30 CBEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC001365333078 894908935 /nfs/dbraw/zinc/90/89/35/894908935.db2.gz FTLQXBXXTFRCAG-GHMZBOCLSA-N 1 0 287.385 -0.348 20 30 CBEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC001365333091 894908965 /nfs/dbraw/zinc/90/89/65/894908965.db2.gz FTLQXBXXTFRCAG-QWRGUYRKSA-N 1 0 287.385 -0.348 20 30 CBEDRO N#Cc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC001365400241 894944368 /nfs/dbraw/zinc/94/43/68/894944368.db2.gz SZGAPHPSIVMEAK-CYBMUJFWSA-N 1 0 289.339 -0.181 20 30 CBEDRO CC[NH+](CC)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001451926501 913930919 /nfs/dbraw/zinc/93/09/19/913930919.db2.gz SFLQOEUYGXWFNU-NWDGAFQWSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC001366520117 895351352 /nfs/dbraw/zinc/35/13/52/895351352.db2.gz OOUKTQYVSPFUEX-NEPJUHHUSA-N 1 0 279.344 -0.548 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(C)CC(=O)N1CCOCC1 ZINC001366522398 895354127 /nfs/dbraw/zinc/35/41/27/895354127.db2.gz XUDSSTHSDUPHSW-LLVKDONJSA-N 1 0 282.344 -0.947 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001366689446 895431213 /nfs/dbraw/zinc/43/12/13/895431213.db2.gz MXQWOBHJBPVXDB-MNOVXSKESA-N 1 0 278.356 -0.137 20 30 CBEDRO C[C@@](C[NH2+]CC(N)=O)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001367173198 895577161 /nfs/dbraw/zinc/57/71/61/895577161.db2.gz WMMJSXAHNOMFHT-AWEZNQCLSA-N 1 0 289.339 -0.140 20 30 CBEDRO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+][C@H]1CCNC1=O ZINC001367250254 895596230 /nfs/dbraw/zinc/59/62/30/895596230.db2.gz VGIHIGMOYAEYBC-ONGXEEELSA-N 1 0 289.339 -0.270 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC001367513196 895649452 /nfs/dbraw/zinc/64/94/52/895649452.db2.gz WWXNVVHOQWMVQX-CHWSQXEVSA-N 1 0 293.371 -0.206 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC001367513198 895649666 /nfs/dbraw/zinc/64/96/66/895649666.db2.gz WWXNVVHOQWMVQX-OLZOCXBDSA-N 1 0 293.371 -0.206 20 30 CBEDRO CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001367571108 895671729 /nfs/dbraw/zinc/67/17/29/895671729.db2.gz QCPDNYAFNQMNGU-MWLCHTKSSA-N 1 0 280.328 -0.398 20 30 CBEDRO CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001367583349 895681919 /nfs/dbraw/zinc/68/19/19/895681919.db2.gz QAYSKTUILUMEDJ-GHMZBOCLSA-N 1 0 298.387 -0.482 20 30 CBEDRO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001367636967 895718155 /nfs/dbraw/zinc/71/81/55/895718155.db2.gz FNIXKBGSKXFKKD-CABZTGNLSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001367647840 895720131 /nfs/dbraw/zinc/72/01/31/895720131.db2.gz SVPBRNGAWIUMIR-ONGXEEELSA-N 1 0 289.339 -0.127 20 30 CBEDRO C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@@H](C)C#N ZINC001367784112 895805452 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C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1nccnc1N ZINC001438962621 911012786 /nfs/dbraw/zinc/01/27/86/911012786.db2.gz ATALFJDIYZFCLX-MRVPVSSYSA-N 1 0 285.735 -0.508 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC(=O)NCC)CCO1 ZINC001506837915 921626531 /nfs/dbraw/zinc/62/65/31/921626531.db2.gz JCLQJKFOACQZAY-CHWSQXEVSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 ZINC001506844786 921626854 /nfs/dbraw/zinc/62/68/54/921626854.db2.gz NYAOGOOWRBYGAT-MNOVXSKESA-N 1 0 281.356 -0.357 20 30 CBEDRO C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001506837251 921627052 /nfs/dbraw/zinc/62/70/52/921627052.db2.gz UDTYLWQBCQUEKL-QWRGUYRKSA-N 1 0 269.345 -0.357 20 30 CBEDRO CC#CCCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001506844283 921627469 /nfs/dbraw/zinc/62/74/69/921627469.db2.gz LLFHARRGGQIWLR-QWHCGFSZSA-N 1 0 295.383 -0.129 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)NC(=O)CC ZINC001438987927 911040365 /nfs/dbraw/zinc/04/03/65/911040365.db2.gz 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C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001439175254 911129784 /nfs/dbraw/zinc/12/97/84/911129784.db2.gz QMERIJSLRAGCEI-SECBINFHSA-N 1 0 297.808 -0.275 20 30 CBEDRO COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001506896634 921636627 /nfs/dbraw/zinc/63/66/27/921636627.db2.gz QYPFRVZTTQSHPL-HAQNSBGRSA-N 1 0 293.367 -0.614 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001439213195 911144792 /nfs/dbraw/zinc/14/47/92/911144792.db2.gz HWUNADLBPNZAQW-JTQLQIEISA-N 1 0 291.779 -0.062 20 30 CBEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1ncnn1 ZINC001439248417 911153083 /nfs/dbraw/zinc/15/30/83/911153083.db2.gz ZXQNALIJKHVVHE-NSHDSACASA-N 1 0 299.338 -0.161 20 30 CBEDRO C[C@H](CCC[NH2+]Cc1nnnn1C)NC(=O)C#CC1CC1 ZINC001506925738 921641678 /nfs/dbraw/zinc/64/16/78/921641678.db2.gz UVMDPQSUOLFCIR-LLVKDONJSA-N 1 0 290.371 -0.002 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001506931134 921642697 /nfs/dbraw/zinc/64/26/97/921642697.db2.gz ZXRPPPAQMKECQM-GHMZBOCLSA-N 1 0 274.386 -0.073 20 30 CBEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001506934945 921642316 /nfs/dbraw/zinc/64/23/16/921642316.db2.gz YWASSNKWXKLXMD-MNOVXSKESA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)c1cn(C)c(=O)n1C ZINC001506976951 921648114 /nfs/dbraw/zinc/64/81/14/921648114.db2.gz JVGDABOLSKXXIG-UHFFFAOYSA-N 1 0 294.355 -0.965 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1cnn(C)c1N ZINC001506993991 921648700 /nfs/dbraw/zinc/64/87/00/921648700.db2.gz OPIPXAXAKIPGAH-UHFFFAOYSA-N 1 0 293.371 -0.248 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001506993189 921649424 /nfs/dbraw/zinc/64/94/24/921649424.db2.gz BBCHQTARQDZULK-GFCCVEGCSA-N 1 0 281.356 -0.742 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@](C)(C[NH2+]Cc2nnnn2C)C1 ZINC001439889596 911305820 /nfs/dbraw/zinc/30/58/20/911305820.db2.gz QBETYSFFGOVAGU-GXFFZTMASA-N 1 0 291.359 -0.302 20 30 CBEDRO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C#N)CCOCC1 ZINC001439953308 911321604 /nfs/dbraw/zinc/32/16/04/911321604.db2.gz VOTKARDBGPEVNZ-JTQLQIEISA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001507563715 921867826 /nfs/dbraw/zinc/86/78/26/921867826.db2.gz TWSUKCSPOFPOTI-SNVBAGLBSA-N 1 0 280.328 -0.678 20 30 CBEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507008461 921652690 /nfs/dbraw/zinc/65/26/90/921652690.db2.gz IDAOJNPVXNAMLR-GFCCVEGCSA-N 1 0 289.339 -0.188 20 30 CBEDRO C[C@H](C#N)C(=O)NCC1(O)C[NH+](CC2CCOCC2)C1 ZINC001440040154 911364397 /nfs/dbraw/zinc/36/43/97/911364397.db2.gz YCOIROYNMUNFNV-LLVKDONJSA-N 1 0 281.356 -0.264 20 30 CBEDRO C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(=O)NCC1CC1 ZINC001507030229 921656384 /nfs/dbraw/zinc/65/63/84/921656384.db2.gz JZBPNNIXIXVRNK-CYBMUJFWSA-N 1 0 277.368 -0.028 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001440382645 911442122 /nfs/dbraw/zinc/44/21/22/911442122.db2.gz RAVIHYWDSMNWAU-LPEHRKFASA-N 1 0 295.343 -0.785 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)OC ZINC001507052121 921662051 /nfs/dbraw/zinc/66/20/51/921662051.db2.gz LEGVMYGMHYQODP-QWRGUYRKSA-N 1 0 269.345 -0.793 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1cc[nH]n1 ZINC001507058869 921666583 /nfs/dbraw/zinc/66/65/83/921666583.db2.gz KDETWTZRKQICDR-NSHDSACASA-N 1 0 293.371 -0.309 20 30 CBEDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C#N)CC1 ZINC001440770719 911508950 /nfs/dbraw/zinc/50/89/50/911508950.db2.gz OESVULCCWFCWSO-GHMZBOCLSA-N 1 0 264.329 -0.622 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001507059479 921666777 /nfs/dbraw/zinc/66/67/77/921666777.db2.gz DGUMACCLAKWAER-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC(C)(C)O ZINC001507067880 921667958 /nfs/dbraw/zinc/66/79/58/921667958.db2.gz ANBIGGXVCZAPMD-NEPJUHHUSA-N 1 0 297.399 -0.278 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC(C)(C)O ZINC001507067884 921668634 /nfs/dbraw/zinc/66/86/34/921668634.db2.gz ANBIGGXVCZAPMD-VXGBXAGGSA-N 1 0 297.399 -0.278 20 30 CBEDRO C[C@H](CN(C)C(=O)C#CC1CC1)[NH2+][C@H]1CCNC1=O ZINC001507078719 921671444 /nfs/dbraw/zinc/67/14/44/921671444.db2.gz ZMXBVXXIGCCXAN-PWSUYJOCSA-N 1 0 263.341 -0.275 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001507078593 921673585 /nfs/dbraw/zinc/67/35/85/921673585.db2.gz ZERVWNIOCSZHJT-GHMZBOCLSA-N 1 0 253.346 -0.044 20 30 CBEDRO CC(C)C#CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001507078594 921673686 /nfs/dbraw/zinc/67/36/86/921673686.db2.gz ZERVWNIOCSZHJT-MNOVXSKESA-N 1 0 253.346 -0.044 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001507089678 921675564 /nfs/dbraw/zinc/67/55/64/921675564.db2.gz NZRZAJLPIJJNFY-NEPJUHHUSA-N 1 0 265.357 -0.028 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cncn1C ZINC001507097639 921675738 /nfs/dbraw/zinc/67/57/38/921675738.db2.gz FPCAWYWKUWZRDW-NSHDSACASA-N 1 0 293.371 -0.228 20 30 CBEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001507108525 921679378 /nfs/dbraw/zinc/67/93/78/921679378.db2.gz VPFRPAYXXFRMKL-CYBMUJFWSA-N 1 0 296.415 -0.179 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001441491478 911685746 /nfs/dbraw/zinc/68/57/46/911685746.db2.gz BPIXDSZLIHUXDA-VXGBXAGGSA-N 1 0 296.371 -0.559 20 30 CBEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001441587313 911712095 /nfs/dbraw/zinc/71/20/95/911712095.db2.gz HXLZVHILZDUWOI-DTWKUNHWSA-N 1 0 274.752 -0.143 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1nccs1 ZINC001507137594 921688795 /nfs/dbraw/zinc/68/87/95/921688795.db2.gz DGTYXVLLNDXHQV-SNVBAGLBSA-N 1 0 294.380 -0.057 20 30 CBEDRO CCn1cc(C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)nn1 ZINC001507138611 921689771 /nfs/dbraw/zinc/68/97/71/921689771.db2.gz OKCGXRLLTURTNT-GFCCVEGCSA-N 1 0 293.371 -0.002 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001507147054 921689941 /nfs/dbraw/zinc/68/99/41/921689941.db2.gz JKFDMIIPTMKNJI-NSHDSACASA-N 1 0 293.371 -0.650 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001507155850 921692364 /nfs/dbraw/zinc/69/23/64/921692364.db2.gz LGFQSOCGEJVQMP-JTQLQIEISA-N 1 0 292.339 -0.441 20 30 CBEDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)C#N ZINC001441783819 911803746 /nfs/dbraw/zinc/80/37/46/911803746.db2.gz IAMDPIMKBNRWBP-RKDXNWHRSA-N 1 0 283.332 -0.914 20 30 CBEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441792529 911808254 /nfs/dbraw/zinc/80/82/54/911808254.db2.gz ANWNAPKBWHIJJL-JOYOIKCWSA-N 1 0 289.339 -0.175 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001507151560 921692934 /nfs/dbraw/zinc/69/29/34/921692934.db2.gz HPEHJFUENVUNJW-SNVBAGLBSA-N 1 0 254.334 -0.495 20 30 CBEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CCC)C1=O ZINC001507168887 921698979 /nfs/dbraw/zinc/69/89/79/921698979.db2.gz WWVHURHTRPSYJH-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001441957507 911866739 /nfs/dbraw/zinc/86/67/39/911866739.db2.gz XGGBYJNBXHNUBG-SNVBAGLBSA-N 1 0 277.752 -0.716 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001507176810 921712792 /nfs/dbraw/zinc/71/27/92/921712792.db2.gz KUNCYSBBKVTJQB-WDEREUQCSA-N 1 0 258.318 -0.955 20 30 CBEDRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)c1ccc(C#N)[nH]1 ZINC001443093550 912157808 /nfs/dbraw/zinc/15/78/08/912157808.db2.gz AQXIDOLFHYPKBP-NSHDSACASA-N 1 0 289.339 -0.173 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001507183930 921724148 /nfs/dbraw/zinc/72/41/48/921724148.db2.gz WHARSEXACWHCAJ-SNVBAGLBSA-N 1 0 254.330 -0.308 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC(C)C1 ZINC001507186131 921727354 /nfs/dbraw/zinc/72/73/54/921727354.db2.gz OCRYDOGHOHFGPK-HTAVTVPLSA-N 1 0 283.372 -0.599 20 30 CBEDRO COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cc(C#N)c[nH]1 ZINC001507186005 921725478 /nfs/dbraw/zinc/72/54/78/921725478.db2.gz RJOVVYFCEMPSTJ-KOLCDFICSA-N 1 0 280.328 -0.398 20 30 CBEDRO CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C#CC(C)C)C1=O ZINC001507191682 921730829 /nfs/dbraw/zinc/73/08/29/921730829.db2.gz VGSMYVYKXBXBMB-CHWSQXEVSA-N 1 0 295.383 -0.667 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)c1cc(OC)ncn1 ZINC001507192225 921732487 /nfs/dbraw/zinc/73/24/87/921732487.db2.gz AKPFQXKLSMQKLM-SNVBAGLBSA-N 1 0 278.312 -0.811 20 30 CBEDRO CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C#CC(C)C ZINC001507192523 921732759 /nfs/dbraw/zinc/73/27/59/921732759.db2.gz YEPPWINBSHBMPP-GFCCVEGCSA-N 1 0 283.372 -0.761 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)c1cc(OC)ns1 ZINC001507193862 921734171 /nfs/dbraw/zinc/73/41/71/921734171.db2.gz HQFVHJJSEZPJIL-VIFPVBQESA-N 1 0 283.353 -0.145 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001507201631 921735276 /nfs/dbraw/zinc/73/52/76/921735276.db2.gz IMELKKGMRSIMJU-RYUDHWBXSA-N 1 0 283.372 -0.502 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cnc[nH]c1=O ZINC001507200665 921736872 /nfs/dbraw/zinc/73/68/72/921736872.db2.gz JHIXYMMXXIWHIH-SECBINFHSA-N 1 0 266.301 -0.561 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)Cc1cncs1 ZINC001507201237 921737021 /nfs/dbraw/zinc/73/70/21/921737021.db2.gz MLNAFUVSYPSPOC-JTQLQIEISA-N 1 0 267.354 -0.224 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001507207376 921739627 /nfs/dbraw/zinc/73/96/27/921739627.db2.gz UQIJPXBUVNILJU-NWDGAFQWSA-N 1 0 290.367 -0.221 20 30 CBEDRO C[NH+]1CCC(C#N)(NC(=O)CCCCNC(N)=O)CC1 ZINC001464834074 915015445 /nfs/dbraw/zinc/01/54/45/915015445.db2.gz COHIRXHEBWDODW-UHFFFAOYSA-N 1 0 281.360 -0.071 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ncc(F)cc1F ZINC001507203295 921739939 /nfs/dbraw/zinc/73/99/39/921739939.db2.gz QVYSOEQKLCYYSL-VIFPVBQESA-N 1 0 269.251 -0.327 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001465079469 915032873 /nfs/dbraw/zinc/03/28/73/915032873.db2.gz GFCOGZHXISYUGT-NEPJUHHUSA-N 1 0 253.346 -0.613 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001507203727 921741962 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C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cc2n(n1)CCCO2 ZINC001507216793 921752069 /nfs/dbraw/zinc/75/20/69/921752069.db2.gz UTJYWQVPJMVVBZ-LLVKDONJSA-N 1 0 294.355 -0.078 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001507220289 921752079 /nfs/dbraw/zinc/75/20/79/921752079.db2.gz XPAZVVUPRKTPNF-MJBXVCDLSA-N 1 0 280.368 -0.109 20 30 CBEDRO C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001507218479 921752879 /nfs/dbraw/zinc/75/28/79/921752879.db2.gz XZJDVPIXIBUGAM-QWHCGFSZSA-N 1 0 283.372 -0.502 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)C1(C)CCC1 ZINC001507220661 921754162 /nfs/dbraw/zinc/75/41/62/921754162.db2.gz BMRMTHPVJFPNOB-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCCC[NH2+][C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001507231548 921763800 /nfs/dbraw/zinc/76/38/00/921763800.db2.gz GQQLNEPNRHGEQH-SMDDNHRTSA-N 1 0 283.372 -0.455 20 30 CBEDRO Cc1onc(CC(=O)N[C@H](CO)C[NH+]2CCCC2)c1C#N ZINC001468605914 915315544 /nfs/dbraw/zinc/31/55/44/915315544.db2.gz 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282.344 -0.951 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cscn1 ZINC001485980763 918272581 /nfs/dbraw/zinc/27/25/81/918272581.db2.gz YYYKHYAIDMNBCA-JTQLQIEISA-N 1 0 283.353 -0.527 20 30 CBEDRO C=CCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(CC)C1=O ZINC001485980748 918273069 /nfs/dbraw/zinc/27/30/69/918273069.db2.gz YVCQCMZWALUJCN-VXGBXAGGSA-N 1 0 283.372 -0.360 20 30 CBEDRO C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001485990606 918285484 /nfs/dbraw/zinc/28/54/84/918285484.db2.gz WJTSYDGQRJCNEW-NEPJUHHUSA-N 1 0 281.360 -0.128 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001485993070 918288094 /nfs/dbraw/zinc/28/80/94/918288094.db2.gz ZKWQAMAIXGVSFP-SNVBAGLBSA-N 1 0 267.333 -0.538 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccn(C(F)F)n1 ZINC001486000212 918292999 /nfs/dbraw/zinc/29/29/99/918292999.db2.gz NGQKADHRTJIQKO-QMMMGPOBSA-N 1 0 272.255 -0.408 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cc(C)nnc1C ZINC001486000125 918294941 /nfs/dbraw/zinc/29/49/41/918294941.db2.gz 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C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001486040289 918331063 /nfs/dbraw/zinc/33/10/63/918331063.db2.gz VFBWTKGOFNFHSA-NEPJUHHUSA-N 1 0 264.329 -0.466 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001486037820 918332777 /nfs/dbraw/zinc/33/27/77/918332777.db2.gz VBEADHIMEKSZTC-QJPTWQEYSA-N 1 0 276.340 -0.777 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001486039803 918334013 /nfs/dbraw/zinc/33/40/13/918334013.db2.gz LRJCVUNCCFCPQU-CYBMUJFWSA-N 1 0 299.334 -0.419 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001486044455 918335879 /nfs/dbraw/zinc/33/58/79/918335879.db2.gz YEAYCWPIKMUFMA-JTQLQIEISA-N 1 0 275.312 -0.404 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)CNC(=O)CC1CCCC1 ZINC001486043924 918338105 /nfs/dbraw/zinc/33/81/05/918338105.db2.gz KDUHSUJUPAOUPA-CYBMUJFWSA-N 1 0 295.383 -0.617 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1C ZINC001486084930 918358264 /nfs/dbraw/zinc/35/82/64/918358264.db2.gz 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C=CCC[NH2+]C[C@H](C)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001496205809 920044239 /nfs/dbraw/zinc/04/42/39/920044239.db2.gz CYPSDPBUIIRZLW-NSHDSACASA-N 1 0 296.371 -0.107 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001496224458 920046446 /nfs/dbraw/zinc/04/64/46/920046446.db2.gz BDQAVQZQNACQCY-UWVGGRQHSA-N 1 0 282.344 -0.403 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001496242733 920050953 /nfs/dbraw/zinc/05/09/53/920050953.db2.gz HVOULJKPBVKVNY-MNOVXSKESA-N 1 0 266.345 -0.401 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001496328203 920061039 /nfs/dbraw/zinc/06/10/39/920061039.db2.gz CDJNDBVXUXQAIZ-RYUDHWBXSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC(C)[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001496535267 920083554 /nfs/dbraw/zinc/08/35/54/920083554.db2.gz UPUFJXLQMZIHBF-NXEZZACHSA-N 1 0 294.359 -0.502 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC(=O)N1)C(C)C ZINC001496539724 920083974 /nfs/dbraw/zinc/08/39/74/920083974.db2.gz XUOOFVHJWVRIFG-GHMZBOCLSA-N 1 0 251.330 -0.371 20 30 CBEDRO C=CCCC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C ZINC001496538793 920084211 /nfs/dbraw/zinc/08/42/11/920084211.db2.gz SZZUYQYWGVWJFB-SNVBAGLBSA-N 1 0 284.360 -0.122 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)C(C)(C)C(N)=O)C(C)C ZINC001496570512 920086205 /nfs/dbraw/zinc/08/62/05/920086205.db2.gz QUAFLYROGYHUQG-SNVBAGLBSA-N 1 0 253.346 -0.139 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)C[C@H](C)NC(N)=O)C(C)C ZINC001496559428 920086262 /nfs/dbraw/zinc/08/62/62/920086262.db2.gz VDAUUNCPDITZEC-WDEREUQCSA-N 1 0 268.361 -0.203 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001496550712 920088701 /nfs/dbraw/zinc/08/87/01/920088701.db2.gz PCFQSNHFYGSXCM-GXFFZTMASA-N 1 0 271.361 -0.471 20 30 CBEDRO CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001496590480 920091866 /nfs/dbraw/zinc/09/18/66/920091866.db2.gz PTROYGHEZPYUEV-NWDGAFQWSA-N 1 0 265.357 -0.124 20 30 CBEDRO C#CC[NH2+][C@H](CNC(=O)CCCS(N)(=O)=O)C(C)C ZINC001496597367 920094941 /nfs/dbraw/zinc/09/49/41/920094941.db2.gz GJJWHQGDRAHNIN-LLVKDONJSA-N 1 0 289.401 -0.581 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CNC(=O)CC ZINC001496679540 920111650 /nfs/dbraw/zinc/11/16/50/920111650.db2.gz LPRNDOWTAPFRJF-UHFFFAOYSA-N 1 0 253.346 -0.074 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CN(C)CC(=O)NC(C)C ZINC001496737988 920123609 /nfs/dbraw/zinc/12/36/09/920123609.db2.gz OSLCSBVDGHTJAK-UHFFFAOYSA-N 1 0 296.415 -0.534 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001496763333 920128835 /nfs/dbraw/zinc/12/88/35/920128835.db2.gz FILUZTSUZTXGMD-NSHDSACASA-N 1 0 251.330 -0.512 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC001496935106 920158401 /nfs/dbraw/zinc/15/84/01/920158401.db2.gz BIFLHTZZXFXYNL-LLVKDONJSA-N 1 0 265.313 -0.655 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccn1C ZINC001496939686 920162701 /nfs/dbraw/zinc/16/27/01/920162701.db2.gz IWGMNPYYXRWVAZ-LLVKDONJSA-N 1 0 294.355 -0.992 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cncnc1C ZINC001496945215 920164111 /nfs/dbraw/zinc/16/41/11/920164111.db2.gz SXPWNBCXELGQPR-SNVBAGLBSA-N 1 0 250.302 -0.349 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1cnns1 ZINC001496944228 920165931 /nfs/dbraw/zinc/16/59/31/920165931.db2.gz NBXXMRRKHGQWNL-MRVPVSSYSA-N 1 0 256.331 -0.206 20 30 CBEDRO C=CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001496950552 920168950 /nfs/dbraw/zinc/16/89/50/920168950.db2.gz PFDBACFOWVZVTO-MNOVXSKESA-N 1 0 269.345 -0.750 20 30 CBEDRO C=CCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O ZINC001496950553 920169337 /nfs/dbraw/zinc/16/93/37/920169337.db2.gz PFDBACFOWVZVTO-QWRGUYRKSA-N 1 0 269.345 -0.750 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001496958517 920176151 /nfs/dbraw/zinc/17/61/51/920176151.db2.gz QRYFNYKIYOEHQJ-QWHCGFSZSA-N 1 0 284.356 -0.871 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH2+]CCOCC(F)(F)F ZINC001496955868 920176874 /nfs/dbraw/zinc/17/68/74/920176874.db2.gz VEYWBXZPIAJNGT-IUCAKERBSA-N 1 0 297.277 -0.208 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cc1cc(C)on1 ZINC001496955430 920176974 /nfs/dbraw/zinc/17/69/74/920176974.db2.gz PXXKMSNHPXECCF-LLVKDONJSA-N 1 0 253.302 -0.222 20 30 CBEDRO N#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]CCF)[nH]1 ZINC001496964417 920181358 /nfs/dbraw/zinc/18/13/58/920181358.db2.gz IPHDQOZPDSTDOJ-SECBINFHSA-N 1 0 254.265 -0.464 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001496967871 920183280 /nfs/dbraw/zinc/18/32/80/920183280.db2.gz DCDAZYXBVUULFN-CYBMUJFWSA-N 1 0 282.340 -0.950 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001496976833 920190298 /nfs/dbraw/zinc/19/02/98/920190298.db2.gz HAZNLMNLOYIFIP-LBPRGKRZSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1CC(OCC)C1 ZINC001496976731 920191147 /nfs/dbraw/zinc/19/11/47/920191147.db2.gz PPQYIFBDSINLKJ-MOENNCHZSA-N 1 0 254.330 -0.499 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001496978681 920191360 /nfs/dbraw/zinc/19/13/60/920191360.db2.gz INAJUSYIIRIGRR-LBPRGKRZSA-N 1 0 291.355 -0.293 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001496978921 920191449 /nfs/dbraw/zinc/19/14/49/920191449.db2.gz LLBODLSVENEVOL-LOWVWBTDSA-N 1 0 252.314 -0.887 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001496989475 920194959 /nfs/dbraw/zinc/19/49/59/920194959.db2.gz DNCFFWRAUFFHCL-NEPJUHHUSA-N 1 0 283.372 -0.455 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001496989905 920194985 /nfs/dbraw/zinc/19/49/85/920194985.db2.gz DOYFGASIFFFFLC-CYBMUJFWSA-N 1 0 276.340 -0.501 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001496991174 920195279 /nfs/dbraw/zinc/19/52/79/920195279.db2.gz LIWBJQIGTNTBSC-WDEREUQCSA-N 1 0 297.355 -0.833 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccnn1CCC ZINC001496987452 920195583 /nfs/dbraw/zinc/19/55/83/920195583.db2.gz SMXFNPHSJPTYTP-GFCCVEGCSA-N 1 0 278.356 -0.003 20 30 CBEDRO C[N@H+](CC(=O)NC[C@@H](O)CNCC#N)C1CCC1 ZINC001496996887 920196805 /nfs/dbraw/zinc/19/68/05/920196805.db2.gz RCFDFGSRDDRRSK-NSHDSACASA-N 1 0 254.334 -0.939 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ncccc1NC(C)=O ZINC001496993852 920197629 /nfs/dbraw/zinc/19/76/29/920197629.db2.gz YYBBGEBCCATJEA-NSHDSACASA-N 1 0 290.323 -0.647 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1CC ZINC001496995260 920198423 /nfs/dbraw/zinc/19/84/23/920198423.db2.gz SBHKXQXJVDNHQV-JTQLQIEISA-N 1 0 264.329 -0.704 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn2ncccc12 ZINC001496992581 920198947 /nfs/dbraw/zinc/19/89/47/920198947.db2.gz AQEAYCVIOJMCJQ-JTQLQIEISA-N 1 0 273.296 -0.957 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(CC)CCNC1=O ZINC001496999340 920202702 /nfs/dbraw/zinc/20/27/02/920202702.db2.gz VAABIOKSPAZVAC-GWCFXTLKSA-N 1 0 269.345 -0.845 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc(Cl)n1C ZINC001497017219 920208936 /nfs/dbraw/zinc/20/89/36/920208936.db2.gz HXBXNNVNFSIOKP-SECBINFHSA-N 1 0 284.747 -0.223 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1nccn1C ZINC001497022362 920211122 /nfs/dbraw/zinc/21/11/22/920211122.db2.gz JYEOLKRCRVJQFH-LLVKDONJSA-N 1 0 266.345 -0.395 20 30 CBEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001497033046 920214723 /nfs/dbraw/zinc/21/47/23/920214723.db2.gz OPKPHIBFHCHFKR-NWDGAFQWSA-N 1 0 297.399 -0.066 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C(F)(F)F ZINC001497032054 920216377 /nfs/dbraw/zinc/21/63/77/920216377.db2.gz CCSGAFZSUTYVAT-HTQZYQBOSA-N 1 0 252.236 -0.115 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001497038565 920219971 /nfs/dbraw/zinc/21/99/71/920219971.db2.gz BRJDRPJJMOMAHD-JTQLQIEISA-N 1 0 250.302 -0.958 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001497034639 920220468 /nfs/dbraw/zinc/22/04/68/920220468.db2.gz RCVXHYRAORUQEE-JQWIXIFHSA-N 1 0 297.399 -0.068 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001497055838 920232867 /nfs/dbraw/zinc/23/28/67/920232867.db2.gz COQPWOCNCYQGIF-NSHDSACASA-N 1 0 276.340 -0.009 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnoc1CC ZINC001497065074 920235126 /nfs/dbraw/zinc/23/51/26/920235126.db2.gz SFUHPHMRHGZEBQ-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001497068540 920238254 /nfs/dbraw/zinc/23/82/54/920238254.db2.gz PWDQQXFRQSQQBC-LLVKDONJSA-N 1 0 252.318 -0.405 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)nc1C ZINC001497076251 920239794 /nfs/dbraw/zinc/23/97/94/920239794.db2.gz NAVJEOJTZJCYOS-LLVKDONJSA-N 1 0 264.329 -0.040 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1OCC=C ZINC001497090538 920246599 /nfs/dbraw/zinc/24/65/99/920246599.db2.gz IOWYPGGUYNJHKO-GFCCVEGCSA-N 1 0 289.335 -0.040 20 30 CBEDRO CCn1cnc(C(=O)NC[C@H](O)C[NH2+]CC#CCOC)c1 ZINC001497091404 920246651 /nfs/dbraw/zinc/24/66/51/920246651.db2.gz HLSXFTWKMCBOMZ-GFCCVEGCSA-N 1 0 294.355 -0.767 20 30 CBEDRO CCn1cnc(C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)c1 ZINC001497091405 920246902 /nfs/dbraw/zinc/24/69/02/920246902.db2.gz HLSXFTWKMCBOMZ-LBPRGKRZSA-N 1 0 294.355 -0.767 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c(C)noc1C ZINC001497112436 920249462 /nfs/dbraw/zinc/24/94/62/920249462.db2.gz FNUCSRYWRKWPLX-LBPRGKRZSA-N 1 0 279.340 -0.076 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1c(C)c(C)sc1=O ZINC001497119078 920251895 /nfs/dbraw/zinc/25/18/95/920251895.db2.gz QDBCUTFXPLLBON-LLVKDONJSA-N 1 0 299.396 -0.221 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc(NC(N)=O)c1 ZINC001497113452 920254160 /nfs/dbraw/zinc/25/41/60/920254160.db2.gz KLKGBICNQABLSZ-LBPRGKRZSA-N 1 0 290.323 -0.509 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1CCC(NC(C)=O)CC1 ZINC001497126621 920255950 /nfs/dbraw/zinc/25/59/50/920255950.db2.gz NUFKCIXBXGKLPH-RUXDESIVSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c2ncccc12 ZINC001497123271 920256366 /nfs/dbraw/zinc/25/63/66/920256366.db2.gz ZXTKVIASLVWZFV-GFCCVEGCSA-N 1 0 286.335 -0.195 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@@H](C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001497153451 920263515 /nfs/dbraw/zinc/26/35/15/920263515.db2.gz NOTSBXKNWWSQFK-MNOVXSKESA-N 1 0 294.355 -0.221 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001497155805 920265251 /nfs/dbraw/zinc/26/52/51/920265251.db2.gz XZUWGUXXHFZCFT-GHMZBOCLSA-N 1 0 264.333 -0.078 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001497177543 920266238 /nfs/dbraw/zinc/26/62/38/920266238.db2.gz DCDQVHHPKAQRBT-DGCLKSJQSA-N 1 0 283.372 -0.763 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)CN1CCCNC1=O ZINC001497220816 920271471 /nfs/dbraw/zinc/27/14/71/920271471.db2.gz SPLMVEKGZCTUOB-LBPRGKRZSA-N 1 0 280.372 -0.091 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001497240943 920273434 /nfs/dbraw/zinc/27/34/34/920273434.db2.gz JRYVBMXIISFYHP-NWDGAFQWSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#Cc1cncc(C(=O)N[C@H](C)CC[NH2+]CC(N)=O)c1 ZINC001497265917 920278328 /nfs/dbraw/zinc/27/83/28/920278328.db2.gz WGXWFHUCMYYWFB-SNVBAGLBSA-N 1 0 274.324 -0.354 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)CCc1cn[nH]n1 ZINC001497267357 920279103 /nfs/dbraw/zinc/27/91/03/920279103.db2.gz HAUCHMRFSXCGKA-GFCCVEGCSA-N 1 0 293.371 -0.129 20 30 CBEDRO C[C@H](CCNCC#N)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001497323858 920285453 /nfs/dbraw/zinc/28/54/53/920285453.db2.gz QZDYRZHAYJGPOU-CHWSQXEVSA-N 1 0 282.388 -0.037 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497339212 920291038 /nfs/dbraw/zinc/29/10/38/920291038.db2.gz JJPDKAADNVFJSO-NXEZZACHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C=CCOCC(=O)N(CC)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001497359846 920292246 /nfs/dbraw/zinc/29/22/46/920292246.db2.gz YMSQFXFWSMTGGW-GFCCVEGCSA-N 1 0 283.372 -0.142 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CCNC(=O)C1 ZINC001497373620 920297029 /nfs/dbraw/zinc/29/70/29/920297029.db2.gz MZJHQDRPRVWUPR-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc(F)c[nH]1 ZINC001497425295 920306070 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C#CC[NH2+]C/C=C\CNC(=O)c1nc2ncc(C)cn2n1 ZINC001497611854 920352773 /nfs/dbraw/zinc/35/27/73/920352773.db2.gz LXAREOBRVYOZMB-PLNGDYQASA-N 1 0 284.323 -0.058 20 30 CBEDRO C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1csnn1 ZINC001497643812 920357052 /nfs/dbraw/zinc/35/70/52/920357052.db2.gz GEHLIHAAXDILJA-ARJAWSKDSA-N 1 0 295.368 -0.284 20 30 CBEDRO C#CC[NH2+]C/C=C/CNC(=O)[C@@H](CCC)NC(N)=O ZINC001497734072 920376961 /nfs/dbraw/zinc/37/69/61/920376961.db2.gz DIBDMMSECIAVFZ-MVIFTORASA-N 1 0 266.345 -0.281 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001497788021 920383076 /nfs/dbraw/zinc/38/30/76/920383076.db2.gz KUSGQXDUACPTPU-GHMZBOCLSA-N 1 0 293.371 -0.181 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cc(C)cn1 ZINC001497792917 920386383 /nfs/dbraw/zinc/38/63/83/920386383.db2.gz CXPQQNIFSJXYPD-CYBMUJFWSA-N 1 0 278.356 -0.064 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(F)nc1 ZINC001497797570 920389328 /nfs/dbraw/zinc/38/93/28/920389328.db2.gz GZKBIASYRNQGNG-SNVBAGLBSA-N 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VJNVYQNWUZBSSX-VHSXEESVSA-N 1 0 269.301 -0.592 20 30 CBEDRO C=CCn1cc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)nn1 ZINC000424203556 354217708 /nfs/dbraw/zinc/21/77/08/354217708.db2.gz CHDPTAOANMQCGI-LBPRGKRZSA-N 1 0 279.344 -0.151 20 30 CBEDRO CCNC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424062406 354208189 /nfs/dbraw/zinc/20/81/89/354208189.db2.gz KWMDDCUEGNXUEC-NSHDSACASA-N 1 0 281.360 -0.119 20 30 CBEDRO CCCN(CC(=O)NC)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424097421 354208956 /nfs/dbraw/zinc/20/89/56/354208956.db2.gz FCPVEJLKUCCHKC-JTQLQIEISA-N 1 0 254.334 -0.008 20 30 CBEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000424170649 354213951 /nfs/dbraw/zinc/21/39/51/354213951.db2.gz IOGRJLQTAINSMM-OLZOCXBDSA-N 1 0 280.372 -0.013 20 30 CBEDRO CN(CCN1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424169632 354214559 /nfs/dbraw/zinc/21/45/59/354214559.db2.gz AGDJUDRIRZAOJH-GFCCVEGCSA-N 1 0 268.361 -0.202 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429249137 354248066 /nfs/dbraw/zinc/24/80/66/354248066.db2.gz ZBOYJEPFUDDQNG-UHFFFAOYSA-N 1 0 255.318 -0.155 20 30 CBEDRO C=CCNC(=O)NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430574866 354250870 /nfs/dbraw/zinc/25/08/70/354250870.db2.gz TWDOLHBJSSKQEU-LBPRGKRZSA-N 1 0 256.350 -0.039 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](C[NH3+])C1 ZINC000430936969 354251720 /nfs/dbraw/zinc/25/17/20/354251720.db2.gz YHDVPZSXBLVPFV-NXEZZACHSA-N 1 0 254.334 -0.333 20 30 CBEDRO C=CCNC(=O)CN1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000432944219 354253306 /nfs/dbraw/zinc/25/33/06/354253306.db2.gz QWSZGIQLERXGPU-ZDUSSCGKSA-N 1 0 269.389 -0.077 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000424537497 354227422 /nfs/dbraw/zinc/22/74/22/354227422.db2.gz CQQKWMQUTMGGEI-WOPDTQHZSA-N 1 0 281.356 -0.486 20 30 CBEDRO C=CCn1cc(CNC(=O)C(=O)NCC[NH2+]CCC)nn1 ZINC000424542936 354227720 /nfs/dbraw/zinc/22/77/20/354227720.db2.gz IWBFLOBRPSPYRL-UHFFFAOYSA-N 1 0 294.359 -0.804 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CC ZINC000424553144 354228449 /nfs/dbraw/zinc/22/84/49/354228449.db2.gz ZADNEGYQPCCAKL-QWRGUYRKSA-N 1 0 269.345 -0.581 20 30 CBEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424550272 354228779 /nfs/dbraw/zinc/22/87/79/354228779.db2.gz SQUVEWOEALPDMG-GARJFASQSA-N 1 0 266.345 -0.233 20 30 CBEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000424552774 354228812 /nfs/dbraw/zinc/22/88/12/354228812.db2.gz YMIFFFDNLPZEAQ-HBNTYKKESA-N 1 0 264.329 -0.385 20 30 CBEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000424551505 354229008 /nfs/dbraw/zinc/22/90/08/354229008.db2.gz WDLFJYVWIFHPDI-HBNTYKKESA-N 1 0 264.329 -0.255 20 30 CBEDRO N#CCNC(=O)C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426101445 354240662 /nfs/dbraw/zinc/24/06/62/354240662.db2.gz HVPWIRWZQFTGQY-MRVPVSSYSA-N 1 0 292.261 -0.373 20 30 CBEDRO C[C@H]1C[C@H](NS(=O)(=O)N(C)CCC#N)CC[NH2+]1 ZINC000447249975 354294473 /nfs/dbraw/zinc/29/44/73/354294473.db2.gz VNJCZGJJBUPNFB-VHSXEESVSA-N 1 0 260.363 -0.193 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447905148 354306399 /nfs/dbraw/zinc/30/63/99/354306399.db2.gz LRHOGLKUIMTPTF-HBNTYKKESA-N 1 0 285.344 -0.484 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1COC[C@H]1OCC ZINC000451944166 354345525 /nfs/dbraw/zinc/34/55/25/354345525.db2.gz NBBCIYGPWDPSDV-NXEZZACHSA-N 1 0 271.317 -0.608 20 30 CBEDRO COCCN(CC#N)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457187437 354370101 /nfs/dbraw/zinc/37/01/01/354370101.db2.gz ZHDYMPSJBNTIDY-LBPRGKRZSA-N 1 0 296.371 -0.605 20 30 CBEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCCC[NH+](C)C ZINC000489059510 354429270 /nfs/dbraw/zinc/42/92/70/354429270.db2.gz UWUQBKDKDBUYEY-SNVBAGLBSA-N 1 0 262.379 -0.136 20 30 CBEDRO C#CCN(C(=O)NC[C@H]1C[NH2+]CCN1C)C1CC1 ZINC000491337661 354454440 /nfs/dbraw/zinc/45/44/40/354454440.db2.gz BRVSOZQFRQCAQA-GFCCVEGCSA-N 1 0 250.346 -0.303 20 30 CBEDRO C#C[C@@H](C)[N@@H+](C)CCc1cn(CC(=O)OC)nn1 ZINC000491695735 354459994 /nfs/dbraw/zinc/45/99/94/354459994.db2.gz YGQHQWOGVPLEOA-SNVBAGLBSA-N 1 0 250.302 -0.053 20 30 CBEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@](C)(O)COC ZINC000491622817 354460217 /nfs/dbraw/zinc/46/02/17/354460217.db2.gz HCHHQEWUQUOKTA-ZDUSSCGKSA-N 1 0 271.361 -0.362 20 30 CBEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000491769418 354461438 /nfs/dbraw/zinc/46/14/38/354461438.db2.gz NJTZDSJBXXMOJR-JTQLQIEISA-N 1 0 258.343 -0.707 20 30 CBEDRO C[C@H](C#N)CNC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000543804777 354638560 /nfs/dbraw/zinc/63/85/60/354638560.db2.gz WMSCLPRMMYZEFG-NEPJUHHUSA-N 1 0 284.360 -0.519 20 30 CBEDRO C=CCCCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000562697621 354687365 /nfs/dbraw/zinc/68/73/65/354687365.db2.gz XTURBSOCQVSJDG-LLVKDONJSA-N 1 0 251.330 -0.015 20 30 CBEDRO C[C@@H]1C[N@@H+](C[C@H](O)CN2CC(O)(CC#N)C2)C[C@H](C)O1 ZINC000564201772 354711087 /nfs/dbraw/zinc/71/10/87/354711087.db2.gz SOEANNNZBOMRHA-XQQFMLRXSA-N 1 0 283.372 -0.583 20 30 CBEDRO COC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1CCCO1 ZINC000566556492 354771052 /nfs/dbraw/zinc/77/10/52/354771052.db2.gz NNHYINMVOMJXQA-HZSPNIEDSA-N 1 0 285.388 -0.024 20 30 CBEDRO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000566926416 354777914 /nfs/dbraw/zinc/77/79/14/354777914.db2.gz KXZLGAFNSZATMN-VHSXEESVSA-N 1 0 252.318 -0.398 20 30 CBEDRO Cn1c(NCC[C@@H]2CCC[NH2+]C2)c(C#N)c(=O)n(C)c1=O ZINC000565589149 354741283 /nfs/dbraw/zinc/74/12/83/354741283.db2.gz FLOYVNMHXRPFHL-JTQLQIEISA-N 1 0 291.355 -0.243 20 30 CBEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000565716808 354744817 /nfs/dbraw/zinc/74/48/17/354744817.db2.gz OASAVXOMOPQFAQ-CHWSQXEVSA-N 1 0 294.351 -0.409 20 30 CBEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000565716809 354744972 /nfs/dbraw/zinc/74/49/72/354744972.db2.gz OASAVXOMOPQFAQ-OLZOCXBDSA-N 1 0 294.351 -0.409 20 30 CBEDRO N#CCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568297754 354821673 /nfs/dbraw/zinc/82/16/73/354821673.db2.gz VJCPNGGTBMWKAN-NSHDSACASA-N 1 0 264.329 -0.383 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000568761549 354831804 /nfs/dbraw/zinc/83/18/04/354831804.db2.gz ZMWQHTVCZIZOMY-MRVPVSSYSA-N 1 0 282.316 -0.384 20 30 CBEDRO CCN1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CC1=O ZINC000571047955 354876036 /nfs/dbraw/zinc/87/60/36/354876036.db2.gz VNPYIOCGDKGTIM-ZJUUUORDSA-N 1 0 252.318 -0.255 20 30 CBEDRO N#CCC1(O)CN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000570165344 354855739 /nfs/dbraw/zinc/85/57/39/354855739.db2.gz UUWRIMJYZKPASB-JTQLQIEISA-N 1 0 260.297 -0.068 20 30 CBEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570345775 354860268 /nfs/dbraw/zinc/86/02/68/354860268.db2.gz VMRFHWMGEFCKNQ-LPWJVIDDSA-N 1 0 293.367 -0.262 20 30 CBEDRO C=CCCn1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)nn1 ZINC000574031971 354927829 /nfs/dbraw/zinc/92/78/29/354927829.db2.gz HORCXGYKMXDTDS-NSHDSACASA-N 1 0 279.344 -0.038 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000578142860 354939943 /nfs/dbraw/zinc/93/99/43/354939943.db2.gz WTUWDJFSRACBRD-ZWNOBZJWSA-N 1 0 271.361 -0.504 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNC(=O)c1ccco1 ZINC000578350113 354943952 /nfs/dbraw/zinc/94/39/52/354943952.db2.gz FKTFOUCZJIVSDW-GFCCVEGCSA-N 1 0 294.355 -0.195 20 30 CBEDRO CO[C@@]1(C[NH2+]C[C@@H](O)CN(C)CCC#N)CCOC1 ZINC000578741981 354953541 /nfs/dbraw/zinc/95/35/41/354953541.db2.gz SDIMNGRVVRKBEV-CHWSQXEVSA-N 1 0 271.361 -0.412 20 30 CBEDRO Cc1nccn1CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000573676181 354918771 /nfs/dbraw/zinc/91/87/71/354918771.db2.gz GKWCSVPHXKJIKV-CYBMUJFWSA-N 1 0 265.361 -0.013 20 30 CBEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCO)nc1 ZINC000580766868 354998193 /nfs/dbraw/zinc/99/81/93/354998193.db2.gz SIKARGDBZLBNNQ-UHFFFAOYSA-N 1 0 269.326 -0.301 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582052569 355006662 /nfs/dbraw/zinc/00/66/62/355006662.db2.gz KIUSELZVAFGLKA-UTUOFQBUSA-N 1 0 268.361 -0.386 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC1 ZINC000582117724 355008354 /nfs/dbraw/zinc/00/83/54/355008354.db2.gz DAUICKBCKHCXRT-AWEZNQCLSA-N 1 0 296.415 -0.353 20 30 CBEDRO C=CCn1nnnc1SC[C@H](O)C[N@@H+](C)CCOC ZINC000582251992 355012896 /nfs/dbraw/zinc/01/28/96/355012896.db2.gz QHUWPNJQCWGLHS-SNVBAGLBSA-N 1 0 287.389 -0.110 20 30 CBEDRO C[NH+](C)C[C@@H](CO)NC(=O)C1(C#N)CCOCC1 ZINC000590370422 355075848 /nfs/dbraw/zinc/07/58/48/355075848.db2.gz ZZCOKVDPXWFUDX-JTQLQIEISA-N 1 0 255.318 -0.655 20 30 CBEDRO C[NH+](C)C[C@H](CO)NC(=O)C1(C#N)CCOCC1 ZINC000590370427 355076123 /nfs/dbraw/zinc/07/61/23/355076123.db2.gz ZZCOKVDPXWFUDX-SNVBAGLBSA-N 1 0 255.318 -0.655 20 30 CBEDRO C[N@@H+]1CCC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1 ZINC000588158173 355056303 /nfs/dbraw/zinc/05/63/03/355056303.db2.gz KMVCAJZNMDJZHB-JTQLQIEISA-N 1 0 277.332 -0.457 20 30 CBEDRO C[NH+](C)CCn1cc(NC(=O)NCC(=O)NCC#N)cn1 ZINC000588257099 355057445 /nfs/dbraw/zinc/05/74/45/355057445.db2.gz VWTBTJLADKCPBB-UHFFFAOYSA-N 1 0 293.331 -0.794 20 30 CBEDRO C[C@H](CO)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000589058556 355064824 /nfs/dbraw/zinc/06/48/24/355064824.db2.gz HHMILASJAUVXEG-JTQLQIEISA-N 1 0 283.353 -0.055 20 30 CBEDRO C[NH+]1CCN(CCNC(=O)c2cccc(C#N)n2)CC1 ZINC000589610590 355068790 /nfs/dbraw/zinc/06/87/90/355068790.db2.gz GXWGURVWBXKQPA-UHFFFAOYSA-N 1 0 273.340 -0.070 20 30 CBEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1CN(C)CCO1 ZINC000591755236 355112249 /nfs/dbraw/zinc/11/22/49/355112249.db2.gz UBEQYTKCRGXERB-IHRRRGAJSA-N 1 0 284.404 -0.499 20 30 CBEDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cncc(C#N)n1 ZINC000591986401 355123716 /nfs/dbraw/zinc/12/37/16/355123716.db2.gz VYXQPRUHNSXUOE-SNVBAGLBSA-N 1 0 274.328 -0.096 20 30 CBEDRO C=CCOCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000591178771 355092571 /nfs/dbraw/zinc/09/25/71/355092571.db2.gz UYCJEAQLFURKCP-LBPRGKRZSA-N 1 0 299.371 -0.065 20 30 CBEDRO Cn1c(N[C@@H]2CCC[C@H]([NH3+])C2)c(C#N)c(=O)n(C)c1=O ZINC000591435830 355095422 /nfs/dbraw/zinc/09/54/22/355095422.db2.gz SCVRNMQKQNQDOJ-DTWKUNHWSA-N 1 0 277.328 -0.363 20 30 CBEDRO Cn1c(N[C@H]2CCC[C@@H]([NH3+])C2)c(C#N)c(=O)n(C)c1=O ZINC000591435829 355095563 /nfs/dbraw/zinc/09/55/63/355095563.db2.gz SCVRNMQKQNQDOJ-BDAKNGLRSA-N 1 0 277.328 -0.363 20 30 CBEDRO Cn1c(N[C@H]2CCC[C@H]2C[NH3+])c(C#N)c(=O)n(C)c1=O ZINC000591430493 355095626 /nfs/dbraw/zinc/09/56/26/355095626.db2.gz LBJJVRNAISQTPC-WPRPVWTQSA-N 1 0 277.328 -0.505 20 30 CBEDRO Cn1c(N[C@H]2CCCC[C@H]2C[NH3+])c(C#N)c(=O)n(C)c1=O ZINC000591428340 355095651 /nfs/dbraw/zinc/09/56/51/355095651.db2.gz PKPGGWPJIMRDIY-ONGXEEELSA-N 1 0 291.355 -0.115 20 30 CBEDRO C=CCn1cc(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)nn1 ZINC000592551912 355161516 /nfs/dbraw/zinc/16/15/16/355161516.db2.gz NSDWNFZGXKIPLO-LLVKDONJSA-N 1 0 293.327 -0.559 20 30 CBEDRO C[NH+](C)CCOCCNC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592015765 355125874 /nfs/dbraw/zinc/12/58/74/355125874.db2.gz TZILCIRWFPXDEB-ZDUSSCGKSA-N 1 0 284.360 -0.375 20 30 CBEDRO N#Cc1ccnc(N2CCN(C(=O)COCC[NH3+])CC2)c1 ZINC000592257806 355145726 /nfs/dbraw/zinc/14/57/26/355145726.db2.gz MMINUFIJMBUQMF-UHFFFAOYSA-N 1 0 289.339 -0.423 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592386858 355150954 /nfs/dbraw/zinc/15/09/54/355150954.db2.gz JYOJLOFKHBULBS-SNVBAGLBSA-N 1 0 260.363 -0.192 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000592432019 355153532 /nfs/dbraw/zinc/15/35/32/355153532.db2.gz GBJUCMUGGXRBPQ-RKDXNWHRSA-N 1 0 269.267 -0.294 20 30 CBEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000592432651 355153639 /nfs/dbraw/zinc/15/36/39/355153639.db2.gz HUOUEFNRMATZDI-JHJVBQTASA-N 1 0 255.362 -0.057 20 30 CBEDRO C[NH+](C)CCN1CCN(c2cnc(C#N)cn2)CC1=O ZINC000593486405 355206668 /nfs/dbraw/zinc/20/66/68/355206668.db2.gz VYOPSGQCESHWPA-UHFFFAOYSA-N 1 0 274.328 -0.442 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)C1=O ZINC000593101140 355195241 /nfs/dbraw/zinc/19/52/41/355195241.db2.gz TXRVRKDJIXRACB-IJZKUYQOSA-N 1 0 254.355 -0.022 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)C1=O ZINC000593101138 355195281 /nfs/dbraw/zinc/19/52/81/355195281.db2.gz TXRVRKDJIXRACB-YBIKONCISA-N 1 0 254.355 -0.022 20 30 CBEDRO COC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(=O)OC ZINC000594438727 355248075 /nfs/dbraw/zinc/24/80/75/355248075.db2.gz WLIYFMVLVCEDDD-VHSXEESVSA-N 1 0 271.317 -0.298 20 30 CBEDRO CC[N@H+](C)C[C@H](O)CN1CCN(CCC#N)CC1 ZINC000593968298 355232731 /nfs/dbraw/zinc/23/27/31/355232731.db2.gz BFDDIVCHOBLZNR-ZDUSSCGKSA-N 1 0 254.378 -0.170 20 30 CBEDRO C[NH+](C)[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1O ZINC000593988603 355233487 /nfs/dbraw/zinc/23/34/87/355233487.db2.gz BBYCAFCPACGZBO-MELADBBJSA-N 1 0 288.351 -0.309 20 30 CBEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025729 355234735 /nfs/dbraw/zinc/23/47/35/355234735.db2.gz QXJCEUXWRWLOAR-RWMBFGLXSA-N 1 0 280.372 -0.502 20 30 CBEDRO CCN(C)C(=O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594443583 355248687 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C[NH2+]C[C@@H](C)NS(=O)(=O)c1cncc(C#N)c1 ZINC000595119709 355272409 /nfs/dbraw/zinc/27/24/09/355272409.db2.gz ZLBBGRXGMUMABH-MRVPVSSYSA-N 1 0 254.315 -0.161 20 30 CBEDRO CCn1cc(C#N)c(=O)n(C[C@H](O)C[N@H+](C)CC)c1=O ZINC000594569967 355253194 /nfs/dbraw/zinc/25/31/94/355253194.db2.gz XKALNBSWKVXWFQ-LLVKDONJSA-N 1 0 280.328 -0.786 20 30 CBEDRO N#Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1N ZINC000594601657 355254616 /nfs/dbraw/zinc/25/46/16/355254616.db2.gz FSNFGOWCBGTODC-WDEREUQCSA-N 1 0 259.313 -0.209 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(COC)CCOCC1 ZINC000595501563 355288904 /nfs/dbraw/zinc/28/89/04/355288904.db2.gz SXFQIEWVICBZOE-UHFFFAOYSA-N 1 0 285.344 -0.217 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000595981558 355334646 /nfs/dbraw/zinc/33/46/46/355334646.db2.gz FGTGTDNBKFFXMX-WDMOLILDSA-N 1 0 276.340 -0.574 20 30 CBEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000595670399 355300516 /nfs/dbraw/zinc/30/05/16/355300516.db2.gz 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C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)N(C)CC1 ZINC000595788834 355307615 /nfs/dbraw/zinc/30/76/15/355307615.db2.gz YNGDWDQWFIORBQ-NSHDSACASA-N 1 0 266.345 -0.089 20 30 CBEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC(=O)N(C)CC1 ZINC000595788833 355307626 /nfs/dbraw/zinc/30/76/26/355307626.db2.gz YNGDWDQWFIORBQ-LLVKDONJSA-N 1 0 266.345 -0.089 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595778019 355307639 /nfs/dbraw/zinc/30/76/39/355307639.db2.gz NOXVCQSMZMGSBN-VHSXEESVSA-N 1 0 267.329 -0.109 20 30 CBEDRO COC(=O)CNC(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838591 355310649 /nfs/dbraw/zinc/31/06/49/355310649.db2.gz BYDHCHWLHSDZNN-GFCCVEGCSA-N 1 0 253.302 -0.099 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000595864074 355312690 /nfs/dbraw/zinc/31/26/90/355312690.db2.gz OSTDWHZVIHDCFG-ZIAGYGMSSA-N 1 0 294.399 -0.185 20 30 CBEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C ZINC000595873135 355312872 /nfs/dbraw/zinc/31/28/72/355312872.db2.gz LBWWEXZXOZRVMR-KOLCDFICSA-N 1 0 258.318 -0.563 20 30 CBEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595988432 355336318 /nfs/dbraw/zinc/33/63/18/355336318.db2.gz GGCIVKLVLOPSCO-UHIISALHSA-N 1 0 278.356 -0.056 20 30 CBEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CCO1 ZINC000595988577 355336396 /nfs/dbraw/zinc/33/63/96/355336396.db2.gz HTEUBBRKQMTKHP-COPLHBTASA-N 1 0 294.355 -0.677 20 30 CBEDRO C[NH+](C)CCC[C@H]1CN(CC(=O)NCC#N)CCO1 ZINC000595906586 355317850 /nfs/dbraw/zinc/31/78/50/355317850.db2.gz LMPHCKLCNGEDHY-LBPRGKRZSA-N 1 0 268.361 -0.331 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC2CC1(C[NH3+])C2 ZINC000595911286 355318435 /nfs/dbraw/zinc/31/84/35/355318435.db2.gz UHHSNNRLZCEHLP-UHFFFAOYSA-N 1 0 252.318 -0.579 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000595991348 355336972 /nfs/dbraw/zinc/33/69/72/355336972.db2.gz SJROGHPASPVARL-KGLIPLIRSA-N 1 0 278.356 -0.054 20 30 CBEDRO C=CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595270715 355277149 /nfs/dbraw/zinc/27/71/49/355277149.db2.gz HAIMHOHFSVWHJL-UWVGGRQHSA-N 1 0 252.318 -0.484 20 30 CBEDRO C=CCOCCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595269140 355277277 /nfs/dbraw/zinc/27/72/77/355277277.db2.gz IEBPBWDNCZJQJO-NWDGAFQWSA-N 1 0 296.371 -0.468 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000595268531 355277337 /nfs/dbraw/zinc/27/73/37/355277337.db2.gz VVNVSUFCWSYJBJ-ZDUSSCGKSA-N 1 0 279.344 -0.637 20 30 CBEDRO C=CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595270705 355277354 /nfs/dbraw/zinc/27/73/54/355277354.db2.gz HAIMHOHFSVWHJL-NXEZZACHSA-N 1 0 252.318 -0.484 20 30 CBEDRO C=CCCSCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000595281937 355279031 /nfs/dbraw/zinc/27/90/31/355279031.db2.gz LXNVWSNWDFEUDP-SECBINFHSA-N 1 0 259.375 -0.125 20 30 CBEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCNC1=O ZINC000596926425 355367756 /nfs/dbraw/zinc/36/77/56/355367756.db2.gz PXDNMEGEURYEMY-LLVKDONJSA-N 1 0 266.345 -0.184 20 30 CBEDRO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000595997287 355337607 /nfs/dbraw/zinc/33/76/07/355337607.db2.gz RUZJFBVDIZFHCI-BREBYQMCSA-N 1 0 282.319 -0.354 20 30 CBEDRO N#Cc1cnc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(F)c1 ZINC000596014882 355339444 /nfs/dbraw/zinc/33/94/44/355339444.db2.gz VPMARSJGVRXSSF-ONGXEEELSA-N 1 0 275.287 -0.159 20 30 CBEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(O)cc(C#N)c1 ZINC000597655022 355403475 /nfs/dbraw/zinc/40/34/75/355403475.db2.gz XNAJTJQTMUUGAP-LLVKDONJSA-N 1 0 263.297 -0.084 20 30 CBEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597653899 355403759 /nfs/dbraw/zinc/40/37/59/355403759.db2.gz NWFBKXZSYGTPLZ-LLVKDONJSA-N 1 0 262.313 -0.086 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598642713 355447964 /nfs/dbraw/zinc/44/79/64/355447964.db2.gz FMGJMLLUOCEFCS-MNOVXSKESA-N 1 0 269.345 -0.052 20 30 CBEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000598591436 355445261 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N#C[C@@]1(F)CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000599936087 355520045 /nfs/dbraw/zinc/52/00/45/355520045.db2.gz YHISNLSITQMHHT-NSHDSACASA-N 1 0 258.297 -0.001 20 30 CBEDRO C=CCSCCNC(=O)C(=O)N(CC)CC[NH3+] ZINC000599943139 355521030 /nfs/dbraw/zinc/52/10/30/355521030.db2.gz BPAQJVGKRAMCSX-UHFFFAOYSA-N 1 0 259.375 -0.171 20 30 CBEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)cnc12 ZINC000600189396 355528865 /nfs/dbraw/zinc/52/88/65/355528865.db2.gz JDZJIJYPVJYFPB-HOMQSWHASA-N 1 0 270.296 -0.046 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601329825 355587908 /nfs/dbraw/zinc/58/79/08/355587908.db2.gz MWMLVAGWWMJBHR-AOOOYVTPSA-N 1 0 252.318 -0.566 20 30 CBEDRO C[C@@H](C#N)CNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000601359337 355590800 /nfs/dbraw/zinc/59/08/00/355590800.db2.gz HFVZYDPBGYCFPH-LBPRGKRZSA-N 1 0 288.417 -0.297 20 30 CBEDRO C[NH+]1CCN(CCCS(=O)(=O)N2CC(C#N)C2)CC1 ZINC000601421911 355596555 /nfs/dbraw/zinc/59/65/55/355596555.db2.gz MTPLTDZITALGCD-UHFFFAOYSA-N 1 0 286.401 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C=C(C)[C@@H](CO)n1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641084575 357674555 /nfs/dbraw/zinc/67/45/55/357674555.db2.gz NVUVACOKWRIOJD-CYBMUJFWSA-N 1 0 265.361 -0.165 20 30 CBEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642073644 357749726 /nfs/dbraw/zinc/74/97/26/357749726.db2.gz RLJSFRNSBCZVHZ-YPMHNXCESA-N 1 0 295.383 -0.048 20 30 CBEDRO C=CCCOCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642269710 357752245 /nfs/dbraw/zinc/75/22/45/357752245.db2.gz DBQIIFSERDKXNK-GFCCVEGCSA-N 1 0 283.372 -0.046 20 30 CBEDRO C=CCCCN(C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643523125 357786861 /nfs/dbraw/zinc/78/68/61/357786861.db2.gz WXZMXWZLNPQOAU-RYUDHWBXSA-N 1 0 283.372 -0.014 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643543656 357787480 /nfs/dbraw/zinc/78/74/80/357787480.db2.gz AUJCYPHTHAIMCG-NEPJUHHUSA-N 1 0 299.371 -0.778 20 30 CBEDRO C=CCN(CCOC)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643543679 357787641 /nfs/dbraw/zinc/78/76/41/357787641.db2.gz 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C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000294656046 372962259 /nfs/dbraw/zinc/96/22/59/372962259.db2.gz QWYQMCCGGGNNOW-LBPRGKRZSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000293295983 372962629 /nfs/dbraw/zinc/96/26/29/372962629.db2.gz ZFYFWDXUENMVEE-LBPRGKRZSA-N 1 0 251.330 -0.418 20 30 CBEDRO C[N@@H+]1CCCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329384770 372976918 /nfs/dbraw/zinc/97/69/18/372976918.db2.gz PPCQQELZLILDRQ-NWDGAFQWSA-N 1 0 294.359 -0.231 20 30 CBEDRO COCCN(CC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000355664358 373146932 /nfs/dbraw/zinc/14/69/32/373146932.db2.gz UCCQDVNALVDUDM-UHFFFAOYSA-N 1 0 279.344 -0.058 20 30 CBEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361573108 373313062 /nfs/dbraw/zinc/31/30/62/373313062.db2.gz XNAYCHYXOJMADY-ZWNOBZJWSA-N 1 0 266.345 -0.056 20 30 CBEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000043563531 220193093 /nfs/dbraw/zinc/19/30/93/220193093.db2.gz 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C=CCNC(=O)CNC(=O)NC1CC[NH+](C)CC1 ZINC000180766969 220225597 /nfs/dbraw/zinc/22/55/97/220225597.db2.gz MUCCEHZVHPLLEU-UHFFFAOYSA-N 1 0 254.334 -0.318 20 30 CBEDRO C=CC[C@@H](CO)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000183697027 220227205 /nfs/dbraw/zinc/22/72/05/220227205.db2.gz PKYJBMTZSIQZNY-STQMWFEESA-N 1 0 284.404 -0.142 20 30 CBEDRO C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C[NH+](C)C ZINC000490059035 373701937 /nfs/dbraw/zinc/70/19/37/373701937.db2.gz VPGGKRDFTIVXKG-WDEREUQCSA-N 1 0 290.389 -0.757 20 30 CBEDRO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000491713184 373704811 /nfs/dbraw/zinc/70/48/11/373704811.db2.gz YXPFVFCTIZZIHB-KGLIPLIRSA-N 1 0 279.384 -0.534 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC000491504533 373705006 /nfs/dbraw/zinc/70/50/06/373705006.db2.gz IFNKYEIIJDKGEB-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCNC(=O)C1 ZINC000491504534 373705163 /nfs/dbraw/zinc/70/51/63/373705163.db2.gz IFNKYEIIJDKGEB-NSHDSACASA-N 1 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CCNC(=[NH2+])N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261715074 220244410 /nfs/dbraw/zinc/24/44/10/220244410.db2.gz HQWUQTMTASHEIF-LBPRGKRZSA-N 1 0 267.333 -0.369 20 30 CBEDRO C[NH+]=C(NCc1nccn1C)N1CCO[C@@H](COC)C1 ZINC000261805655 220246591 /nfs/dbraw/zinc/24/65/91/220246591.db2.gz HHUXUNDIBVPKRS-LLVKDONJSA-N 1 0 281.360 -0.157 20 30 CBEDRO CNC(NC[C@]1(N2CCOCC2)CCSC1)=[NH+]C ZINC000261763765 220244650 /nfs/dbraw/zinc/24/46/50/220244650.db2.gz LTMNRPAAPHMFAJ-GFCCVEGCSA-N 1 0 272.418 -0.011 20 30 CBEDRO N#CCNC(=O)C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528638887 373972789 /nfs/dbraw/zinc/97/27/89/373972789.db2.gz JICMWBFQKPYUTK-LBPRGKRZSA-N 1 0 281.356 -0.120 20 30 CBEDRO C#CCNC(=[NH+]C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261965353 220246658 /nfs/dbraw/zinc/24/66/58/220246658.db2.gz LJMJLNBYTFXFNK-UHFFFAOYSA-N 1 0 279.388 -0.709 20 30 CBEDRO C=CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261853935 220245257 /nfs/dbraw/zinc/24/52/57/220245257.db2.gz NJMBAFLXGOXGII-VHSXEESVSA-N 1 0 260.359 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276.406 -0.076 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1ccn(C)n1 ZINC000262262957 220249681 /nfs/dbraw/zinc/24/96/81/220249681.db2.gz FHDWTLPOTCJPLO-UHFFFAOYSA-N 1 0 252.322 -0.827 20 30 CBEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)NCC(=O)N(C)C ZINC000262272252 220249741 /nfs/dbraw/zinc/24/97/41/220249741.db2.gz VBLXGEITFCHZMK-UHFFFAOYSA-N 1 0 297.403 -0.312 20 30 CBEDRO CCn1ncnc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262346918 220249867 /nfs/dbraw/zinc/24/98/67/220249867.db2.gz HVADIQOAIZVSOC-SECBINFHSA-N 1 0 252.322 -0.119 20 30 CBEDRO C[C@@H]1CN(C(=[NH2+])NCC2(S(C)(=O)=O)CC2)CCO1 ZINC000262304713 220250013 /nfs/dbraw/zinc/25/00/13/220250013.db2.gz ACXOYXUMPKZIGN-SECBINFHSA-N 1 0 275.374 -0.401 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1nccs1 ZINC000262278444 220250017 /nfs/dbraw/zinc/25/00/17/220250017.db2.gz WIJFUOWPJRENPN-UHFFFAOYSA-N 1 0 255.347 -0.104 20 30 CBEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CC[NH+](C)C1 ZINC000262275204 220250111 /nfs/dbraw/zinc/25/01/11/220250111.db2.gz 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C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCN(O)C2=O)n1 ZINC000848131954 583430495 /nfs/dbraw/zinc/43/04/95/583430495.db2.gz MJFLQGKDRJHOCE-NSHDSACASA-N 1 0 295.343 -0.445 20 30 CBEDRO C#CCOCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305663 583439729 /nfs/dbraw/zinc/43/97/29/583439729.db2.gz DZRUMFLEAPXEPC-NWDGAFQWSA-N 1 0 252.314 -0.696 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2c(nnn2C)C1 ZINC000848311408 583441084 /nfs/dbraw/zinc/44/10/84/583441084.db2.gz IAHBXINMUPIICV-SNVBAGLBSA-N 1 0 263.345 -0.094 20 30 CBEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCc2nccn2C1 ZINC000848419650 583445888 /nfs/dbraw/zinc/44/58/88/583445888.db2.gz ZXXOLACFVKNNRN-HBNTYKKESA-N 1 0 259.313 -0.327 20 30 CBEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848679077 583454865 /nfs/dbraw/zinc/45/48/65/583454865.db2.gz QZXKXVBECOXLFD-STQMWFEESA-N 1 0 296.371 -0.234 20 30 CBEDRO C#C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000848923330 583463217 /nfs/dbraw/zinc/46/32/17/583463217.db2.gz 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CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)[NH+](C)C ZINC001058168569 802533794 /nfs/dbraw/zinc/53/37/94/802533794.db2.gz LEIITLSDWRVTQP-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058608006 802555826 /nfs/dbraw/zinc/55/58/26/802555826.db2.gz WWLPBKFBRZBRTM-GFCCVEGCSA-N 1 0 298.387 -0.575 20 30 CBEDRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)C#N ZINC001058656510 802559654 /nfs/dbraw/zinc/55/96/54/802559654.db2.gz FFORAKYGRLXRSH-GFCCVEGCSA-N 1 0 298.387 -0.575 20 30 CBEDRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)[NH+](C)C ZINC001058654732 802559742 /nfs/dbraw/zinc/55/97/42/802559742.db2.gz GKOMRDWQTYIDIX-NEPJUHHUSA-N 1 0 298.387 -0.577 20 30 CBEDRO CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)[NH+](C)C ZINC001058654734 802560054 /nfs/dbraw/zinc/56/00/54/802560054.db2.gz GKOMRDWQTYIDIX-RYUDHWBXSA-N 1 0 298.387 -0.577 20 30 CBEDRO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058658536 802560388 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ZINC001128632583 813786092 /nfs/dbraw/zinc/78/60/92/813786092.db2.gz IICZZBRVYFJKTE-QWRGUYRKSA-N 1 0 251.330 -0.512 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001128631658 813786124 /nfs/dbraw/zinc/78/61/24/813786124.db2.gz CXVFLGMEBVAPNN-NWDGAFQWSA-N 1 0 265.357 -0.122 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)CN(C)C(=O)C1CC1 ZINC001128624291 813786491 /nfs/dbraw/zinc/78/64/91/813786491.db2.gz WPSPQUZWXCBZJC-UHFFFAOYSA-N 1 0 283.372 -0.237 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CN(C)C(=O)C1CC1 ZINC001128624021 813786720 /nfs/dbraw/zinc/78/67/20/813786720.db2.gz KUCILYICGGXRLU-UHFFFAOYSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC001128631656 813787161 /nfs/dbraw/zinc/78/71/61/813787161.db2.gz CXVFLGMEBVAPNN-NEPJUHHUSA-N 1 0 265.357 -0.122 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC001128638061 813787165 /nfs/dbraw/zinc/78/71/65/813787165.db2.gz DAHZYSHNXDFBGC-NEPJUHHUSA-N 1 0 265.357 -0.122 20 30 CBEDRO CCO[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001129315015 813835674 /nfs/dbraw/zinc/83/56/74/813835674.db2.gz FDGCEKIFHGHNEC-LBPRGKRZSA-N 1 0 298.387 -0.217 20 30 CBEDRO C#CC[NH2+]CCNC(=O)[C@H]1CCCCS1(=O)=O ZINC001129332895 813837415 /nfs/dbraw/zinc/83/74/15/813837415.db2.gz DDXALZCSRVDSMK-SNVBAGLBSA-N 1 0 258.343 -0.707 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129347609 813837905 /nfs/dbraw/zinc/83/79/05/813837905.db2.gz QVXMBEMMBLWENS-UHFFFAOYSA-N 1 0 261.329 -0.115 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]C[C@@H](C)O ZINC001134817158 814413972 /nfs/dbraw/zinc/41/39/72/814413972.db2.gz OMHQRFRGWNNDNV-ZYHUDNBSSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](OC)C(C)C ZINC001133350348 814246294 /nfs/dbraw/zinc/24/62/94/814246294.db2.gz FSMIHGCQKOFERD-GFCCVEGCSA-N 1 0 271.361 -0.335 20 30 CBEDRO C=C(C)CC[NH2+]CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829734 814414123 /nfs/dbraw/zinc/41/41/23/814414123.db2.gz OWRBCBQYNKOFFY-NSHDSACASA-N 1 0 284.360 -0.962 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC ZINC001133414089 814249943 /nfs/dbraw/zinc/24/99/43/814249943.db2.gz GPTWCNXIOPZPMK-WDEREUQCSA-N 1 0 269.345 -0.745 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001134788365 814414272 /nfs/dbraw/zinc/41/42/72/814414272.db2.gz ZPWQOSNHWAQJTM-NWDGAFQWSA-N 1 0 293.371 -0.522 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001134804334 814414468 /nfs/dbraw/zinc/41/44/68/814414468.db2.gz GSWRMDUNUXWNCC-QWRGUYRKSA-N 1 0 286.397 -0.073 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]CCO ZINC001134817510 814414531 /nfs/dbraw/zinc/41/45/31/814414531.db2.gz YVHFPGFVPPCVFB-LLVKDONJSA-N 1 0 257.334 -0.845 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ocnc1CC ZINC001133586344 814275177 /nfs/dbraw/zinc/27/51/77/814275177.db2.gz CRLOZUBAQYOLFU-UHFFFAOYSA-N 1 0 280.328 -0.141 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC12CCC2 ZINC001134445315 814385023 /nfs/dbraw/zinc/38/50/23/814385023.db2.gz VUGYESANDNFDSY-NSHDSACASA-N 1 0 263.341 -0.368 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C(C)C ZINC001134649295 814403068 /nfs/dbraw/zinc/40/30/68/814403068.db2.gz WGUFDWUNNGPNMQ-LLVKDONJSA-N 1 0 253.346 -0.266 20 30 CBEDRO CC(C)(C#N)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001143404923 814769977 /nfs/dbraw/zinc/76/99/77/814769977.db2.gz PLZONMSWJNHCLC-UHFFFAOYSA-N 1 0 258.282 -0.799 20 30 CBEDRO CC(=O)N[C@@H](CS)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001144409781 814776114 /nfs/dbraw/zinc/77/61/14/814776114.db2.gz XUSMZTCGJYJLND-VIFPVBQESA-N 1 0 257.359 -0.805 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CCn2cncn2)cn1 ZINC001148389064 814940848 /nfs/dbraw/zinc/94/08/48/814940848.db2.gz AEZZTGMYYOJEJO-UHFFFAOYSA-N 1 0 284.323 -0.326 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C#C)cn1 ZINC001148370148 814940952 /nfs/dbraw/zinc/94/09/52/814940952.db2.gz KMRLUNDIRDWSBZ-UHFFFAOYSA-N 1 0 284.319 -0.868 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCCC)cn1 ZINC001148382848 814941050 /nfs/dbraw/zinc/94/10/50/814941050.db2.gz HOWLMKGCVQQLEW-UHFFFAOYSA-N 1 0 288.351 -0.092 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)cn1 ZINC001148383034 814941133 /nfs/dbraw/zinc/94/11/33/814941133.db2.gz OXGWENAIFHNQPH-GFCCVEGCSA-N 1 0 272.308 -0.729 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)COC)cn1 ZINC001148382879 814941354 /nfs/dbraw/zinc/94/13/54/814941354.db2.gz IOLJQJVFGSORIW-CYBMUJFWSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C#C)cn1 ZINC001148376247 814941468 /nfs/dbraw/zinc/94/14/68/814941468.db2.gz FGJYIRLVEZEFFD-LBPRGKRZSA-N 1 0 298.346 -0.480 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CCS(C)(=O)=O)cn1 ZINC001148383235 814941546 /nfs/dbraw/zinc/94/15/46/814941546.db2.gz ZHOZFDWRMDDHRR-UHFFFAOYSA-N 1 0 295.364 -0.573 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001148389787 814941598 /nfs/dbraw/zinc/94/15/98/814941598.db2.gz UXESTNVOXMTWLN-CYBMUJFWSA-N 1 0 286.335 -0.387 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)COC)nc1 ZINC001148370223 814941823 /nfs/dbraw/zinc/94/18/23/814941823.db2.gz OCENLNWXBUQENL-LBPRGKRZSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cn1 ZINC001148382801 814941871 /nfs/dbraw/zinc/94/18/71/814941871.db2.gz FKRJVXGJJNCOPL-UHFFFAOYSA-N 1 0 285.307 -0.978 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cccc1 ZINC001148395277 814942278 /nfs/dbraw/zinc/94/22/78/814942278.db2.gz CSUVZLFXMRCWJA-CYBMUJFWSA-N 1 0 290.367 -0.106 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)C3(C(=O)NC)CC3)C2)C1 ZINC001148436395 814945776 /nfs/dbraw/zinc/94/57/76/814945776.db2.gz WVSFGXABZDCUMI-UHFFFAOYSA-N 1 0 275.352 -0.320 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148437631 814946128 /nfs/dbraw/zinc/94/61/28/814946128.db2.gz SWNWSFOFEOKGJJ-LBPRGKRZSA-N 1 0 251.330 -0.274 20 30 CBEDRO COc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1 ZINC001148778061 814957740 /nfs/dbraw/zinc/95/77/40/814957740.db2.gz LRSWDINNCBJKRO-UHFFFAOYSA-N 1 0 290.323 -0.346 20 30 CBEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CCC)NC(N)=O)C2)C1 ZINC001148679180 814955952 /nfs/dbraw/zinc/95/59/52/814955952.db2.gz SNIFXVWRORGLFY-GFCCVEGCSA-N 1 0 292.383 -0.009 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(OC)c1 ZINC001148875999 814958864 /nfs/dbraw/zinc/95/88/64/814958864.db2.gz DIUGDHVBTPIQKI-UHFFFAOYSA-N 1 0 289.335 -0.236 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCOC1 ZINC001321468298 803769937 /nfs/dbraw/zinc/76/99/37/803769937.db2.gz JJRUQEWQKVZJBQ-VXGBXAGGSA-N 1 0 281.356 -0.743 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCOC1 ZINC001321468297 803770164 /nfs/dbraw/zinc/77/01/64/803770164.db2.gz JJRUQEWQKVZJBQ-NEPJUHHUSA-N 1 0 281.356 -0.743 20 30 CBEDRO CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC001321479016 803771292 /nfs/dbraw/zinc/77/12/92/803771292.db2.gz MQBNQRBZWBRAHN-VHSXEESVSA-N 1 0 254.334 -0.235 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc[nH]c1C ZINC001321491706 803774171 /nfs/dbraw/zinc/77/41/71/803774171.db2.gz WIGOTSVOJYBZAR-SNVBAGLBSA-N 1 0 276.340 -0.220 20 30 CBEDRO C#CCCCCC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001321488995 803774553 /nfs/dbraw/zinc/77/45/53/803774553.db2.gz OVFMLPRBASGYHX-LLVKDONJSA-N 1 0 293.371 -0.104 20 30 CBEDRO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C#CC(C)(C)C ZINC001321514096 803777797 /nfs/dbraw/zinc/77/77/97/803777797.db2.gz LEUCQENDNFDSCB-GHMZBOCLSA-N 1 0 293.367 -0.065 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1nn(C)cc1C ZINC001321514497 803777925 /nfs/dbraw/zinc/77/79/25/803777925.db2.gz WSXQZMNGCVPGLY-LLVKDONJSA-N 1 0 291.355 -0.814 20 30 CBEDRO CCCCCCOCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149025373 814965329 /nfs/dbraw/zinc/96/53/29/814965329.db2.gz DFDJRIYPSMMSQN-UHFFFAOYSA-N 1 0 298.387 -0.071 20 30 CBEDRO C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001321597812 803789185 /nfs/dbraw/zinc/78/91/85/803789185.db2.gz HOAPGINZEUKTRJ-RYUDHWBXSA-N 1 0 295.383 -0.096 20 30 CBEDRO CC[C@H](F)C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321618131 803791762 /nfs/dbraw/zinc/79/17/62/803791762.db2.gz UHIRAJGAGOAEDA-BDAKNGLRSA-N 1 0 258.297 -0.531 20 30 CBEDRO Cc1cnoc1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321693253 803803143 /nfs/dbraw/zinc/80/31/43/803803143.db2.gz LMFDIRRAJTXYLJ-SECBINFHSA-N 1 0 279.300 -0.669 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001321709470 803804716 /nfs/dbraw/zinc/80/47/16/803804716.db2.gz CYZOHHVHXCTOLS-MRVPVSSYSA-N 1 0 294.311 -0.372 20 30 CBEDRO C#Cc1ccc(C(=O)N[C@H](C)C[NH2+][C@@H]2CCNC2=O)nc1 ZINC001321712619 803805744 /nfs/dbraw/zinc/80/57/44/803805744.db2.gz GSBAZVMRDQFWRQ-ZWNOBZJWSA-N 1 0 286.335 -0.341 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@H]1CCCO1 ZINC001321790258 803814310 /nfs/dbraw/zinc/81/43/10/803814310.db2.gz OITRHEJOAYZALJ-WDEREUQCSA-N 1 0 282.344 -0.710 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CCCO1 ZINC001321790541 803814369 /nfs/dbraw/zinc/81/43/69/803814369.db2.gz VROLCYYTSTXANM-RYUDHWBXSA-N 1 0 281.356 -0.601 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1CCCO1 ZINC001321790257 803815014 /nfs/dbraw/zinc/81/50/14/803815014.db2.gz OITRHEJOAYZALJ-QWRGUYRKSA-N 1 0 282.344 -0.710 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001321801048 803816300 /nfs/dbraw/zinc/81/63/00/803816300.db2.gz OBJHCQHBVDRWMI-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO CC(C)NC(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@H](C)C#N ZINC001321814195 803819865 /nfs/dbraw/zinc/81/98/65/803819865.db2.gz NACXKEFKAAQLRF-MNOVXSKESA-N 1 0 283.376 -0.052 20 30 CBEDRO C[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC001149055228 814968333 /nfs/dbraw/zinc/96/83/33/814968333.db2.gz PARQYPBHAIMFCS-NWDGAFQWSA-N 1 0 296.371 -0.463 20 30 CBEDRO Cc1ccnc(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)n1 ZINC001321831711 803823869 /nfs/dbraw/zinc/82/38/69/803823869.db2.gz MPPMOHJFZRKBNZ-JTQLQIEISA-N 1 0 290.327 -0.867 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1coc(C)n1 ZINC001321831791 803824062 /nfs/dbraw/zinc/82/40/62/803824062.db2.gz PQTOLDXNVVIENR-VIFPVBQESA-N 1 0 280.328 -0.007 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)C#CC1CC1 ZINC001321842820 803824799 /nfs/dbraw/zinc/82/47/99/803824799.db2.gz XVBSATVQZBCYPO-JTQLQIEISA-N 1 0 251.330 -0.418 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001321841985 803825481 /nfs/dbraw/zinc/82/54/81/803825481.db2.gz JUOBBMSIQAMFCP-NWDGAFQWSA-N 1 0 283.372 -0.356 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001321842827 803826024 /nfs/dbraw/zinc/82/60/24/803826024.db2.gz YBIGZTOGNDTGIK-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CC ZINC001321855903 803827799 /nfs/dbraw/zinc/82/77/99/803827799.db2.gz NFZGWSCERHACHK-QWRGUYRKSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)CC ZINC001321855906 803828008 /nfs/dbraw/zinc/82/80/08/803828008.db2.gz NFZGWSCERHACHK-WDEREUQCSA-N 1 0 289.401 -0.568 20 30 CBEDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001321858232 803829560 /nfs/dbraw/zinc/82/95/60/803829560.db2.gz HVSWRTSDCMUBQS-LLVKDONJSA-N 1 0 282.344 -0.805 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccns1 ZINC001321868189 803830535 /nfs/dbraw/zinc/83/05/35/803830535.db2.gz VHUSAJXQHPCKMW-VHSXEESVSA-N 1 0 294.380 -0.011 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1ccns1 ZINC001321868188 803831074 /nfs/dbraw/zinc/83/10/74/803831074.db2.gz VHUSAJXQHPCKMW-UWVGGRQHSA-N 1 0 294.380 -0.011 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001321869382 803831232 /nfs/dbraw/zinc/83/12/32/803831232.db2.gz GFPRVNAQBBOCPP-WDEREUQCSA-N 1 0 251.330 -0.370 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1[nH]cnc1C ZINC001149123504 814971501 /nfs/dbraw/zinc/97/15/01/814971501.db2.gz JTKMRUQNDSXRDE-UHFFFAOYSA-N 1 0 264.329 -0.384 20 30 CBEDRO C#CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001321889918 803833703 /nfs/dbraw/zinc/83/37/03/803833703.db2.gz YSXSZASJLRUILE-STQMWFEESA-N 1 0 293.367 -0.505 20 30 CBEDRO 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NVYOHRBPZKTIER-LBPRGKRZSA-N 1 0 291.355 -0.624 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)Cn1cccn1 ZINC001123531186 813248197 /nfs/dbraw/zinc/24/81/97/813248197.db2.gz HKJOVRRLWCKDIM-UHFFFAOYSA-N 1 0 252.318 -0.209 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cl)o1 ZINC001123559530 813249664 /nfs/dbraw/zinc/24/96/64/813249664.db2.gz VSVNKLCZUMQFIE-UHFFFAOYSA-N 1 0 284.703 -0.108 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(C)c1C ZINC001123611939 813252042 /nfs/dbraw/zinc/25/20/42/813252042.db2.gz PRRAMOMSUKCQRI-JTQLQIEISA-N 1 0 291.355 -0.814 20 30 CBEDRO C=C[C@H](CO)NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001123695352 813263363 /nfs/dbraw/zinc/26/33/63/813263363.db2.gz ROWSXYBNPRCMIE-IJLUTSLNSA-N 1 0 270.377 -0.533 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cccn1 ZINC001123752362 813268587 /nfs/dbraw/zinc/26/85/87/813268587.db2.gz MWMJGUCZBJXPMO-LBPRGKRZSA-N 1 0 293.371 -0.330 20 30 CBEDRO CCN1CC[C@@H]([NH2+]CCNC(=O)CSCC#N)C1=O ZINC001123792150 813271870 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813415233 /nfs/dbraw/zinc/41/52/33/813415233.db2.gz HXJQLZQRTDCCFR-QMMMGPOBSA-N 1 0 283.357 -0.452 20 30 CBEDRO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)c1ccon1 ZINC001124186341 813416853 /nfs/dbraw/zinc/41/68/53/813416853.db2.gz FVCOZJIMLGEVAL-UHFFFAOYSA-N 1 0 293.327 -0.244 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ccon2)C1=O ZINC001124200677 813419258 /nfs/dbraw/zinc/41/92/58/813419258.db2.gz NOZADTLFGQAZPE-NSHDSACASA-N 1 0 278.312 -0.219 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)c1cc(C)nn1C ZINC001124258081 813424836 /nfs/dbraw/zinc/42/48/36/813424836.db2.gz YLFYNALIGXHJIT-UHFFFAOYSA-N 1 0 264.329 -0.302 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)OC)C1=O ZINC001124287890 813428298 /nfs/dbraw/zinc/42/82/98/813428298.db2.gz OUKJPZMYLDMILY-GHMZBOCLSA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)OCC ZINC001124419998 813438058 /nfs/dbraw/zinc/43/80/58/813438058.db2.gz RECMPQSECSWQLK-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)CC(F)(F)F 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C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCOC2)C1=O ZINC001124501970 813448801 /nfs/dbraw/zinc/44/88/01/813448801.db2.gz PINKQKCITVZBMN-NWDGAFQWSA-N 1 0 281.356 -0.484 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124496062 813448947 /nfs/dbraw/zinc/44/89/47/813448947.db2.gz VKGWKVLWGRDHCD-SNVBAGLBSA-N 1 0 255.318 -0.969 20 30 CBEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CCn1cncn1 ZINC001124496203 813449113 /nfs/dbraw/zinc/44/91/13/813449113.db2.gz XYEOBQYUMLSTKW-LBPRGKRZSA-N 1 0 281.360 -0.035 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCOC1 ZINC001124515141 813451244 /nfs/dbraw/zinc/45/12/44/813451244.db2.gz WQTBDCOCVLKXBG-WDEREUQCSA-N 1 0 269.345 -0.581 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H](C)OC)C1=O ZINC001124595236 813458950 /nfs/dbraw/zinc/45/89/50/813458950.db2.gz WZUGPASBEQQZDA-VXGBXAGGSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)OC ZINC001124606145 813459153 /nfs/dbraw/zinc/45/91/53/813459153.db2.gz CEZOQKNVNSGRET-QWRGUYRKSA-N 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C[C@H](C#N)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001124902252 813498057 /nfs/dbraw/zinc/49/80/57/813498057.db2.gz IFBGZYTVZNNPIN-SNVBAGLBSA-N 1 0 252.318 -0.526 20 30 CBEDRO CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H](C)C#N)C1=O ZINC001124902057 813498149 /nfs/dbraw/zinc/49/81/49/813498149.db2.gz GKBYDMLQEVFHGL-MNOVXSKESA-N 1 0 266.345 -0.139 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001124895294 813498285 /nfs/dbraw/zinc/49/82/85/813498285.db2.gz FQHYANHJQJLGQL-GHMZBOCLSA-N 1 0 287.385 -0.323 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001124896329 813498293 /nfs/dbraw/zinc/49/82/93/813498293.db2.gz OCVHYMHKDHYRSI-QWRGUYRKSA-N 1 0 287.385 -0.323 20 30 CBEDRO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H](C)C#N ZINC001124895741 813498386 /nfs/dbraw/zinc/49/83/86/813498386.db2.gz JBTVZMOBBYUIFL-JTQLQIEISA-N 1 0 269.349 -0.441 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001124902958 813499294 /nfs/dbraw/zinc/49/92/94/813499294.db2.gz OFFNLRGXOWNZEL-VHSXEESVSA-N 1 0 275.374 -0.467 20 30 CBEDRO C[C@H](C[NH2+]CCNC(=O)[C@H](C)C#N)CS(C)(=O)=O ZINC001124902956 813499399 /nfs/dbraw/zinc/49/93/99/813499399.db2.gz OFFNLRGXOWNZEL-NXEZZACHSA-N 1 0 275.374 -0.467 20 30 CBEDRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N ZINC001124903540 813499429 /nfs/dbraw/zinc/49/94/29/813499429.db2.gz RDDDLJALMSRHSR-SNVBAGLBSA-N 1 0 297.359 -0.666 20 30 CBEDRO COc1cncc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124904132 813499534 /nfs/dbraw/zinc/49/95/34/813499534.db2.gz WXDPNEUDYOBZCV-SECBINFHSA-N 1 0 263.301 -0.149 20 30 CBEDRO C[C@H](C#N)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001124903862 813499723 /nfs/dbraw/zinc/49/97/23/813499723.db2.gz SUYUJFSIQQWYCL-ZJUUUORDSA-N 1 0 262.317 -0.369 20 30 CBEDRO C[C@H](C[NH2+]CCNC(=O)[C@@H](C)C#N)CS(C)(=O)=O ZINC001124902960 813500026 /nfs/dbraw/zinc/50/00/26/813500026.db2.gz OFFNLRGXOWNZEL-ZJUUUORDSA-N 1 0 275.374 -0.467 20 30 CBEDRO Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H](C)C#N)n(C)n1 ZINC001124908911 813500931 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ZINC001125080678 813515519 /nfs/dbraw/zinc/51/55/19/813515519.db2.gz SWQCYYGTZGSOEN-UHFFFAOYSA-N 1 0 266.326 -0.299 20 30 CBEDRO COc1ccc(C#N)cc1C[NH2+]CCNC(=O)CC(N)=O ZINC001125080805 813515550 /nfs/dbraw/zinc/51/55/50/813515550.db2.gz YRNBIZUVJJIWDA-UHFFFAOYSA-N 1 0 290.323 -0.352 20 30 CBEDRO N#Cc1ccc(C[NH2+]CCNC(=O)CC(N)=O)c(F)c1 ZINC001125080035 813516173 /nfs/dbraw/zinc/51/61/73/813516173.db2.gz MFNWFNZRDOJYPR-UHFFFAOYSA-N 1 0 278.287 -0.221 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ncoc1CC ZINC001125095619 813519788 /nfs/dbraw/zinc/51/97/88/813519788.db2.gz UQTJQIOVZWDESW-UHFFFAOYSA-N 1 0 280.328 -0.141 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cc1ccon1 ZINC001125103485 813521982 /nfs/dbraw/zinc/52/19/82/813521982.db2.gz DXTCAXGCWOSPAH-UHFFFAOYSA-N 1 0 266.301 -0.775 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nnn(C)c1C ZINC001125185357 813529870 /nfs/dbraw/zinc/52/98/70/813529870.db2.gz YPPUZMKPWVDLIO-SECBINFHSA-N 1 0 294.359 -0.866 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)/C=C\C1CC1 ZINC001125236317 813539141 /nfs/dbraw/zinc/53/91/41/813539141.db2.gz FABZRYFHKYGWBD-WAYWQWQTSA-N 1 0 294.355 -0.330 20 30 CBEDRO C=CCOCCCC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001125256467 813540579 /nfs/dbraw/zinc/54/05/79/813540579.db2.gz YTYKKXDZGDOKRV-LLVKDONJSA-N 1 0 271.361 -0.061 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125292134 813541931 /nfs/dbraw/zinc/54/19/31/813541931.db2.gz OKKQDMBOCBLIJY-UHFFFAOYSA-N 1 0 278.312 -0.591 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(=O)[nH]1 ZINC001125308319 813541969 /nfs/dbraw/zinc/54/19/69/813541969.db2.gz BXKVPZPPLGLDFG-JTQLQIEISA-N 1 0 290.323 -0.756 20 30 CBEDRO CC(C)CNC(=O)C[NH2+]CCNC(=O)c1cc(C#N)c[nH]1 ZINC001125370212 813547135 /nfs/dbraw/zinc/54/71/35/813547135.db2.gz JUYPAWQJQYSARK-UHFFFAOYSA-N 1 0 291.355 -0.022 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)/C(C)=C/C ZINC001125437491 813552435 /nfs/dbraw/zinc/55/24/35/813552435.db2.gz IINPWSUBOMTHIL-BJMVGYQFSA-N 1 0 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276.344 -0.620 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CNC(N)=O)CC[C@@H]1C ZINC001132636719 814174574 /nfs/dbraw/zinc/17/45/74/814174574.db2.gz BLQMPZPPKLCWFO-QWRGUYRKSA-N 1 0 266.345 -0.638 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C1CC1 ZINC001132671378 814177440 /nfs/dbraw/zinc/17/74/40/814177440.db2.gz PVMINJCDDCJPIM-UHFFFAOYSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CS(C)(=O)=O)CC[C@@H]1C ZINC001132685329 814179940 /nfs/dbraw/zinc/17/99/40/814179940.db2.gz VDAOKQMRQVBUNG-RYUDHWBXSA-N 1 0 286.397 -0.262 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC#C)C1 ZINC001132761912 814186063 /nfs/dbraw/zinc/18/60/63/814186063.db2.gz MXEFATJMTXGZCD-UONOGXRCSA-N 1 0 289.379 -0.167 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132828307 814192441 /nfs/dbraw/zinc/19/24/41/814192441.db2.gz QBSMWAUDCLXSOK-VXGBXAGGSA-N 1 0 278.360 -0.067 20 30 CBEDRO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001132824545 814192451 /nfs/dbraw/zinc/19/24/51/814192451.db2.gz TZEUXZYTWJRURO-WCQYABFASA-N 1 0 277.368 -0.041 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1C ZINC001132823341 814192693 /nfs/dbraw/zinc/19/26/93/814192693.db2.gz DGOBVDZTKKVFRN-CHWSQXEVSA-N 1 0 290.371 -0.229 20 30 CBEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNCC#N)C1 ZINC001132859066 814195606 /nfs/dbraw/zinc/19/56/06/814195606.db2.gz UZIAQVAZKISGQM-LLVKDONJSA-N 1 0 254.334 -0.675 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132919720 814200591 /nfs/dbraw/zinc/20/05/91/814200591.db2.gz DQROXKKBMBRDNJ-LLVKDONJSA-N 1 0 275.356 -0.351 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001132943964 814202335 /nfs/dbraw/zinc/20/23/35/814202335.db2.gz NYRWSMSNSQJNNR-GHMZBOCLSA-N 1 0 269.320 -0.420 20 30 CBEDRO N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111520 814214610 /nfs/dbraw/zinc/21/46/10/814214610.db2.gz FPNDXYVWMWODAT-LBPRGKRZSA-N 1 0 287.323 -0.555 20 30 CBEDRO N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CNC(=O)N2)c1 ZINC001133128322 814218925 /nfs/dbraw/zinc/21/89/25/814218925.db2.gz BEVANLBPWLVVBY-GFCCVEGCSA-N 1 0 287.323 -0.555 20 30 CBEDRO C=C(Cl)C[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133148179 814219948 /nfs/dbraw/zinc/21/99/48/814219948.db2.gz JFLSZNLEHKMZKC-UHFFFAOYSA-N 1 0 283.781 -0.487 20 30 CBEDRO C=CCCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133145375 814220562 /nfs/dbraw/zinc/22/05/62/814220562.db2.gz WQXPIZSMVPGONV-UHFFFAOYSA-N 1 0 277.390 -0.402 20 30 CBEDRO CCC(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133164332 814221925 /nfs/dbraw/zinc/22/19/25/814221925.db2.gz YTNJCXPWXRDKHX-UHFFFAOYSA-N 1 0 254.334 -0.232 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CCCS(N)(=O)=O ZINC001133164258 814222978 /nfs/dbraw/zinc/22/29/78/814222978.db2.gz VIIIVPSTKWXQKD-UHFFFAOYSA-N 1 0 277.390 -0.273 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)C1(C(N)=O)CC1 ZINC001133188305 814224934 /nfs/dbraw/zinc/22/49/34/814224934.db2.gz VGNIPKDTBISUSE-UHFFFAOYSA-N 1 0 255.318 -0.840 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)CCNC(N)=O)CC[C@H]1C ZINC001133302650 814238965 /nfs/dbraw/zinc/23/89/65/814238965.db2.gz PYIFFKXOINVMKD-VXGBXAGGSA-N 1 0 280.372 -0.248 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCNC(N)=O)CC[C@@H]1C ZINC001133302649 814239149 /nfs/dbraw/zinc/23/91/49/814239149.db2.gz PYIFFKXOINVMKD-RYUDHWBXSA-N 1 0 280.372 -0.248 20 30 CBEDRO C[C@H]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)O1 ZINC001133318612 814239341 /nfs/dbraw/zinc/23/93/41/814239341.db2.gz NROZPXMOYWMDKA-QWRGUYRKSA-N 1 0 282.344 -0.710 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[C@H](C)O1 ZINC001133318935 814239431 /nfs/dbraw/zinc/23/94/31/814239431.db2.gz QOUHAFBDSKTEDE-RYUDHWBXSA-N 1 0 283.372 -0.048 20 30 CBEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001133383056 814247807 /nfs/dbraw/zinc/24/78/07/814247807.db2.gz GQFJJUAKOLYZII-TVQRCGJNSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001133383055 814248385 /nfs/dbraw/zinc/24/83/85/814248385.db2.gz GQFJJUAKOLYZII-RNCFNFMXSA-N 1 0 284.360 -0.122 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(C)=O ZINC001133427957 814251941 /nfs/dbraw/zinc/25/19/41/814251941.db2.gz SNRMXXKKSIWCGJ-ZJUUUORDSA-N 1 0 284.360 -0.109 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)CC(C)(F)F ZINC001133430309 814252402 /nfs/dbraw/zinc/25/24/02/814252402.db2.gz MJBIUYFRQVTKMF-UHFFFAOYSA-N 1 0 261.272 -0.513 20 30 CBEDRO C[C@H](C[C@H](C)NC(=O)C(F)F)[NH2+]CC(=O)NCC#N ZINC001133443011 814253067 /nfs/dbraw/zinc/25/30/67/814253067.db2.gz LHYYWVIKTRMDHS-SFYZADRCSA-N 1 0 276.287 -0.236 20 30 CBEDRO COCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133462079 814256761 /nfs/dbraw/zinc/25/67/61/814256761.db2.gz RDCMJTCMAYTCPW-NXEZZACHSA-N 1 0 270.333 -0.855 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCOC[C@H]1C ZINC001133496174 814263284 /nfs/dbraw/zinc/26/32/84/814263284.db2.gz HURAEGHZNCSKNC-VXGBXAGGSA-N 1 0 281.356 -0.886 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1ccn(C)c1C ZINC001133492473 814263448 /nfs/dbraw/zinc/26/34/48/814263448.db2.gz OODVYRFVEVJZEG-UHFFFAOYSA-N 1 0 278.356 -0.045 20 30 CBEDRO C[C@H]1COCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001133497437 814264503 /nfs/dbraw/zinc/26/45/03/814264503.db2.gz QMKHIURBHNZREB-QWRGUYRKSA-N 1 0 282.344 -0.995 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(Cl)[nH]1 ZINC001133501381 814264802 /nfs/dbraw/zinc/26/48/02/814264802.db2.gz XXUOLHKSOQZROE-UHFFFAOYSA-N 1 0 283.719 -0.373 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001133515144 814268870 /nfs/dbraw/zinc/26/88/70/814268870.db2.gz NSSFOFSGWXNUNI-WDEREUQCSA-N 1 0 298.387 -0.702 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001133619857 814276462 /nfs/dbraw/zinc/27/64/62/814276462.db2.gz NHFIYNJOSUHAML-VXGBXAGGSA-N 1 0 294.359 -0.804 20 30 CBEDRO C#Cc1cncc(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)c1 ZINC001133596937 814277319 /nfs/dbraw/zinc/27/73/19/814277319.db2.gz FLNRRQZDVRFFKE-LBPRGKRZSA-N 1 0 274.324 -0.354 20 30 CBEDRO CCOCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001133622536 814278479 /nfs/dbraw/zinc/27/84/79/814278479.db2.gz HKRKZMRFODXONH-GHMZBOCLSA-N 1 0 284.360 -0.464 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CNC(N)=O ZINC001133619865 814278849 /nfs/dbraw/zinc/27/88/49/814278849.db2.gz NKERDQOQBPJHFU-WDEREUQCSA-N 1 0 284.360 -0.823 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001133746499 814290880 /nfs/dbraw/zinc/29/08/80/814290880.db2.gz YRSLJZBQCYDLRK-STQMWFEESA-N 1 0 297.399 -0.013 20 30 CBEDRO CCc1c(C(=O)NCC[NH2+]CC#CCOC)nnn1CC ZINC001133746843 814291188 /nfs/dbraw/zinc/29/11/88/814291188.db2.gz OLXFLFQYRHDELN-UHFFFAOYSA-N 1 0 293.371 -0.170 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001133783575 814296093 /nfs/dbraw/zinc/29/60/93/814296093.db2.gz HVUYPQMQOQIGBE-NEPJUHHUSA-N 1 0 281.356 -0.649 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001133789133 814296187 /nfs/dbraw/zinc/29/61/87/814296187.db2.gz JISOXFVZOZVUIU-ZJUUUORDSA-N 1 0 255.318 -0.152 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001133788941 814296829 /nfs/dbraw/zinc/29/68/29/814296829.db2.gz IHHSMUVPTGZIET-VXGBXAGGSA-N 1 0 299.371 -0.135 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)Cc1cn(C)nc1Cl ZINC001133793252 814298206 /nfs/dbraw/zinc/29/82/06/814298206.db2.gz KWSPELYDDODBAI-UHFFFAOYSA-N 1 0 298.774 -0.028 20 30 CBEDRO C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)c1ccon1 ZINC001133815867 814300172 /nfs/dbraw/zinc/30/01/72/814300172.db2.gz FXDKIDGVAIDKHW-VHSXEESVSA-N 1 0 293.327 -0.199 20 30 CBEDRO COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(N)=O ZINC001134021382 814339360 /nfs/dbraw/zinc/33/93/60/814339360.db2.gz AAMZGRLAUAFYCB-GHMZBOCLSA-N 1 0 269.345 -0.616 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001133909896 814322415 /nfs/dbraw/zinc/32/24/15/814322415.db2.gz SITMWRGHLDFKPA-RYUDHWBXSA-N 1 0 296.371 -0.298 20 30 CBEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001133910329 814323461 /nfs/dbraw/zinc/32/34/61/814323461.db2.gz YUMGKAGEILJASU-ZJUUUORDSA-N 1 0 257.334 -0.453 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133935564 814325796 /nfs/dbraw/zinc/32/57/96/814325796.db2.gz FBPXBZKEUJZFIV-NEPJUHHUSA-N 1 0 281.356 -0.756 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cocn1 ZINC001133941939 814327270 /nfs/dbraw/zinc/32/72/70/814327270.db2.gz GFXYXRYEFYLDSH-WDEREUQCSA-N 1 0 292.339 -0.090 20 30 CBEDRO CC(F)(F)C1(C(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001133953653 814329020 /nfs/dbraw/zinc/32/90/20/814329020.db2.gz ZNUQKGRXZMWAFV-UHFFFAOYSA-N 1 0 288.298 -0.233 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001134053037 814346268 /nfs/dbraw/zinc/34/62/68/814346268.db2.gz LFTNGJKNPQYSPI-UPJWGTAASA-N 1 0 295.383 -0.096 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134058387 814346377 /nfs/dbraw/zinc/34/63/77/814346377.db2.gz LSMCLJUCAKGEPW-NSHDSACASA-N 1 0 283.347 -0.030 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001134052914 814346479 /nfs/dbraw/zinc/34/64/79/814346479.db2.gz FWOOYZRZHUBOMS-MXWKQRLJSA-N 1 0 269.345 -0.582 20 30 CBEDRO C[C@H](COCC(=O)NCCNCC#N)[NH+]1CCCC1 ZINC001134054377 814346791 /nfs/dbraw/zinc/34/67/91/814346791.db2.gz HPCCLMLCUHLNQK-GFCCVEGCSA-N 1 0 268.361 -0.283 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC ZINC001134072319 814348655 /nfs/dbraw/zinc/34/86/55/814348655.db2.gz RAWNVWCKGLJODY-QJPTWQEYSA-N 1 0 265.357 -0.124 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099334 814350998 /nfs/dbraw/zinc/35/09/98/814350998.db2.gz QGPWXXANHGDDAS-LLVKDONJSA-N 1 0 278.360 -0.093 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099319 814351078 /nfs/dbraw/zinc/35/10/78/814351078.db2.gz PRKJDUKMDMTOPS-SNVBAGLBSA-N 1 0 264.333 -0.483 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134099477 814351105 /nfs/dbraw/zinc/35/11/05/814351105.db2.gz RIKYGLQERPQREJ-LLVKDONJSA-N 1 0 278.360 -0.093 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134110120 814353002 /nfs/dbraw/zinc/35/30/02/814353002.db2.gz JETVAMCHHSKOFL-GHMZBOCLSA-N 1 0 251.330 -0.370 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134135722 814356248 /nfs/dbraw/zinc/35/62/48/814356248.db2.gz KURGJYGUWKTIFM-QWRGUYRKSA-N 1 0 251.330 -0.370 20 30 CBEDRO C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCF ZINC001134130245 814356448 /nfs/dbraw/zinc/35/64/48/814356448.db2.gz FETMOQOLRYDFRA-WDEREUQCSA-N 1 0 271.336 -0.032 20 30 CBEDRO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1ccc(C#N)[nH]1 ZINC001134161703 814358085 /nfs/dbraw/zinc/35/80/85/814358085.db2.gz ZWIWYQRHWNKKNW-RKDXNWHRSA-N 1 0 277.328 -0.142 20 30 CBEDRO CC[C@@H](NC(C)=O)C(=O)NCC[NH2+]CC#CCOC ZINC001134169025 814359466 /nfs/dbraw/zinc/35/94/66/814359466.db2.gz YNAOBFNGPSLWTH-GFCCVEGCSA-N 1 0 269.345 -0.743 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)NC(C)=O ZINC001134178575 814360967 /nfs/dbraw/zinc/36/09/67/814360967.db2.gz NKRHBKXAJXQFTF-CMPLNLGQSA-N 1 0 298.387 -0.702 20 30 CBEDRO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134201361 814362488 /nfs/dbraw/zinc/36/24/88/814362488.db2.gz OBRCMUFWTYUGRG-MNOVXSKESA-N 1 0 296.371 -0.142 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001134242655 814366415 /nfs/dbraw/zinc/36/64/15/814366415.db2.gz QGVGCFOHXMNESQ-UHFFFAOYSA-N 1 0 291.355 -0.091 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001134242799 814366609 /nfs/dbraw/zinc/36/66/09/814366609.db2.gz YBSIFRJOBFGLPX-UHFFFAOYSA-N 1 0 290.327 -0.754 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)c1ccncc1Cl ZINC001134286250 814369383 /nfs/dbraw/zinc/36/93/83/814369383.db2.gz NQBBTPHCVPQHOU-UHFFFAOYSA-N 1 0 295.730 -0.306 20 30 CBEDRO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C#CC1CC1 ZINC001134317987 814372927 /nfs/dbraw/zinc/37/29/27/814372927.db2.gz PFLXBRQNIDPFKH-UWVGGRQHSA-N 1 0 251.330 -0.242 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001134351777 814375258 /nfs/dbraw/zinc/37/52/58/814375258.db2.gz JSDYJGXPDZYPSN-QWRGUYRKSA-N 1 0 289.401 -0.568 20 30 CBEDRO C#CCOCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001134353251 814376098 /nfs/dbraw/zinc/37/60/98/814376098.db2.gz XQASKXVSGVLVTH-WDEREUQCSA-N 1 0 269.345 -0.616 20 30 CBEDRO C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134353543 814376136 /nfs/dbraw/zinc/37/61/36/814376136.db2.gz ZSVPCSLIHZIZBZ-OLZOCXBDSA-N 1 0 297.399 -0.013 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134359861 814376887 /nfs/dbraw/zinc/37/68/87/814376887.db2.gz LLCNNIWYENKRAU-SNVBAGLBSA-N 1 0 277.390 -0.404 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134360031 814377390 /nfs/dbraw/zinc/37/73/90/814377390.db2.gz NWZZNBYAPUGQIV-SECBINFHSA-N 1 0 263.363 -0.794 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134383700 814377773 /nfs/dbraw/zinc/37/77/73/814377773.db2.gz GWGGTNNPYQRTGE-GHMZBOCLSA-N 1 0 264.333 -0.431 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001134384064 814378800 /nfs/dbraw/zinc/37/88/00/814378800.db2.gz MEBKXWMCVMHBOX-GHMZBOCLSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001134380634 814378845 /nfs/dbraw/zinc/37/88/45/814378845.db2.gz VLXMZFZNEKROPF-ZJUUUORDSA-N 1 0 252.322 -0.268 20 30 CBEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001134411645 814383111 /nfs/dbraw/zinc/38/31/11/814383111.db2.gz ABPYQVMDRVVHKF-UHFFFAOYSA-N 1 0 270.333 -0.511 20 30 CBEDRO Cc1cc(C(=O)NCC[NH2+]CC(=O)NCC#N)c(C)[nH]1 ZINC001134423663 814383632 /nfs/dbraw/zinc/38/36/32/814383632.db2.gz QGPCCQVQROODFK-UHFFFAOYSA-N 1 0 277.328 -0.409 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cc(Cl)cn1 ZINC001134473620 814386520 /nfs/dbraw/zinc/38/65/20/814386520.db2.gz FCUXMHDTHXSDOT-UHFFFAOYSA-N 1 0 299.762 -0.456 20 30 CBEDRO C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)n1ccnc1 ZINC001134494549 814387421 /nfs/dbraw/zinc/38/74/21/814387421.db2.gz AWWXFOQTPKGFHH-LLVKDONJSA-N 1 0 292.343 -0.820 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001134509524 814390040 /nfs/dbraw/zinc/39/00/40/814390040.db2.gz UKBVZWZCEOTCON-OLZOCXBDSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509371 814390636 /nfs/dbraw/zinc/39/06/36/814390636.db2.gz REHPXDFCFCYJHR-GHMZBOCLSA-N 1 0 289.401 -0.616 20 30 CBEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001134509372 814390885 /nfs/dbraw/zinc/39/08/85/814390885.db2.gz REHPXDFCFCYJHR-MNOVXSKESA-N 1 0 289.401 -0.616 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H](C)OCCOC ZINC001134663327 814406834 /nfs/dbraw/zinc/40/68/34/814406834.db2.gz GSGDYASJHAZPHS-GFCCVEGCSA-N 1 0 274.361 -0.054 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CCC)C1 ZINC001134503793 814391066 /nfs/dbraw/zinc/39/10/66/814391066.db2.gz VWASSGURDPQAIZ-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCNC(=O)COC ZINC001134521007 814391808 /nfs/dbraw/zinc/39/18/08/814391808.db2.gz VCWMKKRDFLXHEN-NWDGAFQWSA-N 1 0 283.372 -0.355 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)c1cn(CC)nc1C ZINC001134521796 814392930 /nfs/dbraw/zinc/39/29/30/814392930.db2.gz RRXKIAAVBIBBDE-UHFFFAOYSA-N 1 0 293.371 -0.167 20 30 CBEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CNC(=O)NC ZINC001134524725 814393922 /nfs/dbraw/zinc/39/39/22/814393922.db2.gz PZAXODUOFKGEIX-GHMZBOCLSA-N 1 0 268.361 -0.188 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)Cn1nccc1C ZINC001134523282 814394200 /nfs/dbraw/zinc/39/42/00/814394200.db2.gz FGBNMKKYSIBRKD-UHFFFAOYSA-N 1 0 279.344 -0.800 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001134601242 814397591 /nfs/dbraw/zinc/39/75/91/814397591.db2.gz CRWYPKVNYSVHOX-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001134602816 814399375 /nfs/dbraw/zinc/39/93/75/814399375.db2.gz OONUUTOVRLQYMS-QWHCGFSZSA-N 1 0 295.383 -0.259 20 30 CBEDRO C=CCC[NH2+]CCNC(=O)CS(=O)(=O)N(CC)CC ZINC001134612633 814399952 /nfs/dbraw/zinc/39/99/52/814399952.db2.gz BHNBRMLQEFFLPB-UHFFFAOYSA-N 1 0 291.417 -0.060 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)COC[C@@H]1CCOC1 ZINC001134655736 814404634 /nfs/dbraw/zinc/40/46/34/814404634.db2.gz MFDNHDVPIGDLPV-GFCCVEGCSA-N 1 0 254.330 -0.231 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@H](C)OCCOC ZINC001134663328 814406642 /nfs/dbraw/zinc/40/66/42/814406642.db2.gz GSGDYASJHAZPHS-LBPRGKRZSA-N 1 0 274.361 -0.054 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)Cn1ncn2nccc2c1=O ZINC001134665655 814406658 /nfs/dbraw/zinc/40/66/58/814406658.db2.gz PXSRBYAPSHLGHS-UHFFFAOYSA-N 1 0 290.327 -0.827 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC)n1 ZINC001134769314 814411675 /nfs/dbraw/zinc/41/16/75/814411675.db2.gz KGALHDLVWJTXSR-LLVKDONJSA-N 1 0 291.355 -0.640 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cn[nH]n1 ZINC001134842607 814416690 /nfs/dbraw/zinc/41/66/90/814416690.db2.gz CNWOWRNTPMZGNT-VHSXEESVSA-N 1 0 294.359 -0.407 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001134874126 814420031 /nfs/dbraw/zinc/42/00/31/814420031.db2.gz CCNRZHJZPXTLTC-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961782 814427488 /nfs/dbraw/zinc/42/74/88/814427488.db2.gz YMDRETAUPKPTML-UHFFFAOYSA-N 1 0 277.390 -0.404 20 30 CBEDRO C=CCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCC2)nn1 ZINC001134981149 814429440 /nfs/dbraw/zinc/42/94/40/814429440.db2.gz SDQWVKJYXZEXLA-UHFFFAOYSA-N 1 0 292.343 -0.984 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(C)c[nH]1 ZINC001135061608 814433080 /nfs/dbraw/zinc/43/30/80/814433080.db2.gz WXRLDGGFSZZCFY-SNVBAGLBSA-N 1 0 277.328 -0.825 20 30 CBEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135058284 814433521 /nfs/dbraw/zinc/43/35/21/814433521.db2.gz LEUBUGLIKLHKAQ-XQQFMLRXSA-N 1 0 295.383 -0.048 20 30 CBEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001135060523 814433640 /nfs/dbraw/zinc/43/36/40/814433640.db2.gz CIPKJUWIAKROEL-WOPDTQHZSA-N 1 0 283.372 -0.063 20 30 CBEDRO N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001135084627 814437352 /nfs/dbraw/zinc/43/73/52/814437352.db2.gz QSNHWBGHQKTLPT-WDEREUQCSA-N 1 0 264.329 -0.622 20 30 CBEDRO C[NH+](C)CCn1cc(C(=O)NCCNCC#N)cn1 ZINC001135114591 814439559 /nfs/dbraw/zinc/43/95/59/814439559.db2.gz IMLSVZHLHNTZLL-UHFFFAOYSA-N 1 0 264.333 -0.712 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001135154518 814440881 /nfs/dbraw/zinc/44/08/81/814440881.db2.gz GJJAJVWKKMJEHK-GFCCVEGCSA-N 1 0 272.370 -0.317 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135172789 814442437 /nfs/dbraw/zinc/44/24/37/814442437.db2.gz JYEDVHQYPKNEBG-UHFFFAOYSA-N 1 0 253.346 -0.122 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)CNC(C)=O ZINC001135168920 814442950 /nfs/dbraw/zinc/44/29/50/814442950.db2.gz FMGWBFMPPXRUQJ-UHFFFAOYSA-N 1 0 298.387 -0.843 20 30 CBEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001135185030 814445415 /nfs/dbraw/zinc/44/54/15/814445415.db2.gz SHFQEHILGVSPRF-QWHCGFSZSA-N 1 0 296.415 -0.133 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001135214940 814446880 /nfs/dbraw/zinc/44/68/80/814446880.db2.gz SLHCFINAQIYMNA-QWRGUYRKSA-N 1 0 294.359 -0.654 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135301169 814460202 /nfs/dbraw/zinc/46/02/02/814460202.db2.gz NHDXJPXBFSLXER-UHFFFAOYSA-N 1 0 273.296 -0.716 20 30 CBEDRO C=CC[NH2+]CCNC(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001135300922 814460832 /nfs/dbraw/zinc/46/08/32/814460832.db2.gz AOCZOQXSRSNNMJ-UHFFFAOYSA-N 1 0 275.312 -0.164 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001135325153 814462830 /nfs/dbraw/zinc/46/28/30/814462830.db2.gz IZEBMPFIOVPBHU-WDEREUQCSA-N 1 0 289.401 -0.439 20 30 CBEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(N)=O ZINC001135345012 814467045 /nfs/dbraw/zinc/46/70/45/814467045.db2.gz QADOHZVTEZAALU-NXEZZACHSA-N 1 0 257.334 -0.453 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(C)(C)N1CCOCC1 ZINC001135347213 814468080 /nfs/dbraw/zinc/46/80/80/814468080.db2.gz TYCYBRLMEWEGFD-UHFFFAOYSA-N 1 0 253.346 -0.564 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCNC(=O)C1(C)CCOCC1 ZINC001135357044 814470545 /nfs/dbraw/zinc/47/05/45/814470545.db2.gz RKRFKACWAKRATQ-UHFFFAOYSA-N 1 0 281.356 -0.742 20 30 CBEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O ZINC001135384944 814471994 /nfs/dbraw/zinc/47/19/94/814471994.db2.gz PLCFPPRBNBWYIH-LLVKDONJSA-N 1 0 284.360 -0.962 20 30 CBEDRO C=CCCC[NH2+]CCNC(=O)CN1CC(=O)NC1=O ZINC001135443668 814475776 /nfs/dbraw/zinc/47/57/76/814475776.db2.gz CJKCKUYTPRLMPE-UHFFFAOYSA-N 1 0 268.317 -0.790 20 30 CBEDRO C#CC[N@H+]1CC=C(CCNC(=O)Cn2ncnn2)CC1 ZINC001160163341 815611579 /nfs/dbraw/zinc/61/15/79/815611579.db2.gz WZFVMIUDLZMGHJ-UHFFFAOYSA-N 1 0 274.328 -0.555 20 30 CBEDRO C=CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO)nn1 ZINC001135639159 814503752 /nfs/dbraw/zinc/50/37/52/814503752.db2.gz IICVEEACXWNTGI-MNOVXSKESA-N 1 0 281.360 -0.057 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@]1(CC)CCNC1=O ZINC001160290257 815614851 /nfs/dbraw/zinc/61/48/51/815614851.db2.gz FBCKEYBNPZTOEZ-ZDUSSCGKSA-N 1 0 251.330 -0.368 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001135671122 814507287 /nfs/dbraw/zinc/50/72/87/814507287.db2.gz NDZYDCANWKIVQG-RYUDHWBXSA-N 1 0 293.371 -0.049 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1nc(C)oc1C ZINC001135673387 814507890 /nfs/dbraw/zinc/50/78/90/814507890.db2.gz IUBVZKUHKJMRNI-SECBINFHSA-N 1 0 292.339 -0.251 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@]1(CC)CCNC1=O ZINC001160290254 815615587 /nfs/dbraw/zinc/61/55/87/815615587.db2.gz FBCKEYBNPZTOEZ-CYBMUJFWSA-N 1 0 251.330 -0.368 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692072 814511030 /nfs/dbraw/zinc/51/10/30/814511030.db2.gz DUAZJAYOAPBFOL-VHSXEESVSA-N 1 0 280.328 -0.956 20 30 CBEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692567 814511795 /nfs/dbraw/zinc/51/17/95/814511795.db2.gz NZCAVLBWQIKBFK-MNOVXSKESA-N 1 0 296.371 -0.013 20 30 CBEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135692006 814511902 /nfs/dbraw/zinc/51/19/02/814511902.db2.gz CMNDFJZMUQCDRR-NXEZZACHSA-N 1 0 282.344 -0.403 20 30 CBEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CC(=O)NC1=O ZINC001135700076 814512253 /nfs/dbraw/zinc/51/22/53/814512253.db2.gz WSFXSSUNQKYQHT-GHMZBOCLSA-N 1 0 294.355 -0.566 20 30 CBEDRO C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2ncc[nH]2)C1=O ZINC001135758068 814520184 /nfs/dbraw/zinc/52/01/84/814520184.db2.gz XMJYNYMBLAGIDM-NSHDSACASA-N 1 0 291.355 -0.555 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001135759321 814521035 /nfs/dbraw/zinc/52/10/35/814521035.db2.gz KVEUCRCBNAWQMQ-WDEREUQCSA-N 1 0 264.333 -0.431 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1ncc[nH]1 ZINC001135765995 814522014 /nfs/dbraw/zinc/52/20/14/814522014.db2.gz DVDZKJUPKAFOPZ-SNVBAGLBSA-N 1 0 279.344 -0.651 20 30 CBEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cnnn1 ZINC001135767978 814522375 /nfs/dbraw/zinc/52/23/75/814522375.db2.gz LCZOXMNHZDABNX-NWDGAFQWSA-N 1 0 278.360 -0.041 20 30 CBEDRO C[C@H]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CCO1 ZINC001135833025 814531235 /nfs/dbraw/zinc/53/12/35/814531235.db2.gz GYEZRINJEVBFRT-WDEREUQCSA-N 1 0 282.344 -0.853 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC001135833830 814532415 /nfs/dbraw/zinc/53/24/15/814532415.db2.gz YVFPNGDAHRCQNR-RYUDHWBXSA-N 1 0 283.372 -0.191 20 30 CBEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001135876494 814534312 /nfs/dbraw/zinc/53/43/12/814534312.db2.gz QBJVLLCYDXQTSL-WDEREUQCSA-N 1 0 294.355 -0.566 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CC(=O)NCC(F)(F)F ZINC001136018198 814546761 /nfs/dbraw/zinc/54/67/61/814546761.db2.gz XLZIVBALKQWZPV-UHFFFAOYSA-N 1 0 279.262 -0.216 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136107639 814553020 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C#CCC[NH2+]CCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001146985474 814861434 /nfs/dbraw/zinc/86/14/34/814861434.db2.gz IOPIXGXLIJCVLO-CQSZACIVSA-N 1 0 265.357 -0.026 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001146986869 814862115 /nfs/dbraw/zinc/86/21/15/814862115.db2.gz RJRCRKMSNWEJRS-OAHLLOKOSA-N 1 0 295.383 -0.400 20 30 CBEDRO C#CC[NH2+]CCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016847 814868908 /nfs/dbraw/zinc/86/89/08/814868908.db2.gz YMMFXIACGPYCAF-SNVBAGLBSA-N 1 0 263.301 -0.808 20 30 CBEDRO C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)CSCC#N)C2)C1 ZINC001147031517 814869372 /nfs/dbraw/zinc/86/93/72/814869372.db2.gz XHBBXZNCBSLAPI-SNVBAGLBSA-N 1 0 296.396 -0.349 20 30 CBEDRO C#CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CC ZINC001147046655 814871647 /nfs/dbraw/zinc/87/16/47/814871647.db2.gz NMHNKWHQQPTNJB-NSHDSACASA-N 1 0 251.330 -0.274 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CCCOC ZINC001147043146 814871944 /nfs/dbraw/zinc/87/19/44/814871944.db2.gz HTUKTXSFMYHFFY-QWHCGFSZSA-N 1 0 297.399 -0.107 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)CC(=O)NCC1CC1 ZINC001147084453 814873961 /nfs/dbraw/zinc/87/39/61/814873961.db2.gz MUTWSUHVVZVGPP-UHFFFAOYSA-N 1 0 251.330 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147119349 814875817 /nfs/dbraw/zinc/87/58/17/814875817.db2.gz TYWFSSJCZMRDGW-UHFFFAOYSA-N 1 0 284.360 -0.960 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)CCCCC(N)=O ZINC001147119151 814876072 /nfs/dbraw/zinc/87/60/72/814876072.db2.gz NYLLFCLRWMUKKQ-UHFFFAOYSA-N 1 0 269.345 -0.612 20 30 CBEDRO CC#CC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001147195352 814879851 /nfs/dbraw/zinc/87/98/51/814879851.db2.gz JXEZGIPHIMWOSZ-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2 ZINC001147250345 814881380 /nfs/dbraw/zinc/88/13/80/814881380.db2.gz INZJRZJDOHUIKS-CYBMUJFWSA-N 1 0 298.383 -0.269 20 30 CBEDRO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001147225667 814881511 /nfs/dbraw/zinc/88/15/11/814881511.db2.gz RTXTYTZGKOSDLD-VXGBXAGGSA-N 1 0 281.356 -0.312 20 30 CBEDRO C#CCNC(=O)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001147368789 814890395 /nfs/dbraw/zinc/89/03/95/814890395.db2.gz MEVIVIAVUVCBMQ-GFCCVEGCSA-N 1 0 293.367 -0.959 20 30 CBEDRO CC#CC[N@H+]1CCC2(CN(C(=O)CC(=O)NC)C2)C1 ZINC001147403914 814891965 /nfs/dbraw/zinc/89/19/65/814891965.db2.gz RMPFMKGUMGSRKZ-UHFFFAOYSA-N 1 0 263.341 -0.320 20 30 CBEDRO COCC#CC[NH2+]CCNC(=O)[C@](C)(NC(C)=O)C1CC1 ZINC001147461565 814895747 /nfs/dbraw/zinc/89/57/47/814895747.db2.gz ZZOYVNMQMFBZJO-OAHLLOKOSA-N 1 0 295.383 -0.353 20 30 CBEDRO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147514394 814896244 /nfs/dbraw/zinc/89/62/44/814896244.db2.gz KYKSJJOBBSODJO-UHFFFAOYSA-N 1 0 292.379 -0.057 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001147534377 814896311 /nfs/dbraw/zinc/89/63/11/814896311.db2.gz FFJLTQWMMSIRJZ-CHWSQXEVSA-N 1 0 280.368 -0.060 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(N)=O)C2 ZINC001147530573 814896394 /nfs/dbraw/zinc/89/63/94/814896394.db2.gz OZNLGTSCVLHXQK-NEPJUHHUSA-N 1 0 293.367 -0.567 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147644768 814907077 /nfs/dbraw/zinc/90/70/77/814907077.db2.gz NKURKKLTPQRIFR-LLVKDONJSA-N 1 0 296.371 -0.059 20 30 CBEDRO C#CCC[NH2+]CCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001147686933 814908707 /nfs/dbraw/zinc/90/87/07/814908707.db2.gz BEAMPFFNKRTZFB-JTQLQIEISA-N 1 0 261.329 -0.361 20 30 CBEDRO C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001147688387 814909989 /nfs/dbraw/zinc/90/99/89/814909989.db2.gz LYUHWPDVPJXJTE-LLVKDONJSA-N 1 0 293.371 -0.182 20 30 CBEDRO C=CC[NH2+]CCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001147777947 814916590 /nfs/dbraw/zinc/91/65/90/814916590.db2.gz HXFDPEZWKJEUKA-SECBINFHSA-N 1 0 256.350 -0.039 20 30 CBEDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)ncc1C#N ZINC001159750436 815593300 /nfs/dbraw/zinc/59/33/00/815593300.db2.gz KFOUZSNFKLLFJQ-RKDXNWHRSA-N 1 0 295.730 -0.013 20 30 CBEDRO 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GJPHOQKUMXUVLF-NSHDSACASA-N 1 0 296.371 -0.995 20 30 CBEDRO C=CCOCC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001317231236 816944451 /nfs/dbraw/zinc/94/44/51/816944451.db2.gz YILFGUFYGWUTNZ-JTQLQIEISA-N 1 0 267.333 -0.388 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cnnn1C ZINC001317237080 816947929 /nfs/dbraw/zinc/94/79/29/816947929.db2.gz WBSZYSIDECUJAA-VHSXEESVSA-N 1 0 294.359 -0.786 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CCCCO1 ZINC001317238616 816947949 /nfs/dbraw/zinc/94/79/49/816947949.db2.gz LKLJCCWCTFPCSL-CHWSQXEVSA-N 1 0 295.383 -0.211 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC ZINC001317239158 816948021 /nfs/dbraw/zinc/94/80/21/816948021.db2.gz AOCGJZLFGYHCOH-MNOVXSKESA-N 1 0 269.345 -0.745 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C#CC1CC1 ZINC001317240545 816948126 /nfs/dbraw/zinc/94/81/26/816948126.db2.gz XVINQOAKYCSNEZ-ZYHUDNBSSA-N 1 0 254.330 -0.499 20 30 CBEDRO C#CCOCCC(=O)NC[C@H](C)[NH2+]CC#CCOC ZINC001317240660 816948457 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C#CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001317251691 816951068 /nfs/dbraw/zinc/95/10/68/816951068.db2.gz BPOAXPDSWXEKQO-SNVBAGLBSA-N 1 0 285.311 -0.602 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cn[nH]n1 ZINC001317260782 816951724 /nfs/dbraw/zinc/95/17/24/816951724.db2.gz WSZMENNLHJPOQA-DTWKUNHWSA-N 1 0 280.332 -0.797 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001317257729 816952051 /nfs/dbraw/zinc/95/20/51/816952051.db2.gz PZWQWRVRKGEZGV-SECBINFHSA-N 1 0 284.360 -0.252 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)Cn1nc2ccccn2c1=O ZINC001317258207 816952340 /nfs/dbraw/zinc/95/23/40/816952340.db2.gz YXKNNXAQWVHZLN-NSHDSACASA-N 1 0 287.323 -0.777 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001317266247 816953154 /nfs/dbraw/zinc/95/31/54/816953154.db2.gz GAGRGWXVJDUWQY-VHSXEESVSA-N 1 0 261.329 -0.048 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1conc1C ZINC001317267771 816954711 /nfs/dbraw/zinc/95/47/11/816954711.db2.gz YFALCLJPLWRIBY-SECBINFHSA-N 1 0 280.328 -0.007 20 30 CBEDRO Cc1nocc1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317267063 816954800 /nfs/dbraw/zinc/95/48/00/816954800.db2.gz UFLYCIJMYBBVPI-QMMMGPOBSA-N 1 0 279.300 -0.669 20 30 CBEDRO C=CCC[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001317271101 816954949 /nfs/dbraw/zinc/95/49/49/816954949.db2.gz KYAZKJPCYPLRSD-SNVBAGLBSA-N 1 0 294.355 -0.632 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O)nn1 ZINC001317269434 816954964 /nfs/dbraw/zinc/95/49/64/816954964.db2.gz HNPZATKNLKNJAR-BDAKNGLRSA-N 1 0 280.332 -0.954 20 30 CBEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(N)=O ZINC001317267430 816955008 /nfs/dbraw/zinc/95/50/08/816955008.db2.gz WJCZJDFQGXERNN-WDEREUQCSA-N 1 0 298.387 -0.621 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](NC(=O)COC)C(C)C ZINC001317268947 816955073 /nfs/dbraw/zinc/95/50/73/816955073.db2.gz FPTNFNAOGFVAIF-JSGCOSHPSA-N 1 0 297.399 -0.109 20 30 CBEDRO C[C@H](CNC(=O)c1cc(Cl)no1)[NH2+]CC(=O)NCC#N 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C=CCOCC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001318506972 817117512 /nfs/dbraw/zinc/11/75/12/817117512.db2.gz NNZMWVBPCMKMQM-GHMZBOCLSA-N 1 0 297.355 -0.521 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1ncc[nH]1 ZINC001318520216 817117853 /nfs/dbraw/zinc/11/78/53/817117853.db2.gz WRCRLIVDQIYODZ-SNVBAGLBSA-N 1 0 279.344 -0.190 20 30 CBEDRO CC[C@H](CNC(=O)Cc1ccoc1)[NH2+]CC(=O)NCC#N ZINC001318514793 817118038 /nfs/dbraw/zinc/11/80/38/817118038.db2.gz LMPKVIJUFXDPTB-GFCCVEGCSA-N 1 0 292.339 -0.054 20 30 CBEDRO C#CC[NH2+][C@H](CC)CNC(=O)CCNC(=O)NC ZINC001318519019 817118199 /nfs/dbraw/zinc/11/81/99/817118199.db2.gz OVFWCMYBZJUWOJ-SNVBAGLBSA-N 1 0 254.334 -0.577 20 30 CBEDRO CC[C@@H](CNC(=O)c1ccn(C)c1)[NH2+]CC(=O)NCC#N ZINC001318516335 817118712 /nfs/dbraw/zinc/11/87/12/817118712.db2.gz VTZWHURVADVYBP-LBPRGKRZSA-N 1 0 291.355 -0.237 20 30 CBEDRO CC[C@H](CNC(=O)C#CC(C)(C)C)[NH2+]CC(=O)NC(N)=O ZINC001318525626 817119363 /nfs/dbraw/zinc/11/93/63/817119363.db2.gz 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CC#CC[NH2+]C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001319119909 817167417 /nfs/dbraw/zinc/16/74/17/817167417.db2.gz XRFBTWAUFUKNJC-GFCCVEGCSA-N 1 0 276.344 -0.333 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1nnc[nH]1 ZINC001319122430 817168364 /nfs/dbraw/zinc/16/83/64/817168364.db2.gz GTHNWCHDYPPISD-LLVKDONJSA-N 1 0 261.329 -0.049 20 30 CBEDRO C[C@@H](CNC(=O)C1CCOCC1)C[NH2+]CC(=O)NCC#N ZINC001319150094 817169234 /nfs/dbraw/zinc/16/92/34/817169234.db2.gz PWCCTGMQJOVMIZ-LLVKDONJSA-N 1 0 296.371 -0.605 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001319166421 817172360 /nfs/dbraw/zinc/17/23/60/817172360.db2.gz BZEMZHVFBSMNKP-UWVGGRQHSA-N 1 0 254.334 -0.376 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001319180659 817173862 /nfs/dbraw/zinc/17/38/62/817173862.db2.gz XXJHKKIEQIFWCA-NEPJUHHUSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(C)CC1 ZINC001319189121 817174440 /nfs/dbraw/zinc/17/44/40/817174440.db2.gz LXHRXUXFYIRGQJ-LLVKDONJSA-N 1 0 265.357 -0.122 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001319197698 817176120 /nfs/dbraw/zinc/17/61/20/817176120.db2.gz XFWGOVLVZFLCKH-GHMZBOCLSA-N 1 0 251.330 -0.560 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001319208662 817177530 /nfs/dbraw/zinc/17/75/30/817177530.db2.gz YJRAHVRDIQGYJS-LBPRGKRZSA-N 1 0 280.372 -0.233 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cnco1 ZINC001319223413 817178001 /nfs/dbraw/zinc/17/80/01/817178001.db2.gz ZEXWTEYKPSGDRA-WDEREUQCSA-N 1 0 292.339 -0.232 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001319228053 817178272 /nfs/dbraw/zinc/17/82/72/817178272.db2.gz FWCIMCCHLNHIPD-NWDGAFQWSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001319227224 817178729 /nfs/dbraw/zinc/17/87/29/817178729.db2.gz AXNVKMJANKOGLW-NWDGAFQWSA-N 1 0 265.357 -0.170 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001319230343 817178815 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CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001319283385 817186435 /nfs/dbraw/zinc/18/64/35/817186435.db2.gz RLOMYESUIORUBU-VXGBXAGGSA-N 1 0 286.397 -0.071 20 30 CBEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319431718 817203507 /nfs/dbraw/zinc/20/35/07/817203507.db2.gz VYNUAXJNHHNTII-VIFPVBQESA-N 1 0 270.333 -0.416 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCNC(=O)NC ZINC001319453550 817206554 /nfs/dbraw/zinc/20/65/54/817206554.db2.gz PMILRGQPWUOSIE-NSHDSACASA-N 1 0 268.361 -0.235 20 30 CBEDRO C#CCCCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001319448780 817206936 /nfs/dbraw/zinc/20/69/36/817206936.db2.gz QBCDAJUQPZILNT-NSHDSACASA-N 1 0 296.371 -0.189 20 30 CBEDRO C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC ZINC001319454037 817206948 /nfs/dbraw/zinc/20/69/48/817206948.db2.gz LZBLFPKZAWODPM-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CCNS(C)(=O)=O ZINC001319466814 817208256 /nfs/dbraw/zinc/20/82/56/817208256.db2.gz 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ZINC001319884743 817250831 /nfs/dbraw/zinc/25/08/31/817250831.db2.gz GCLQPDKCBOPIGQ-ZDUSSCGKSA-N 1 0 292.383 -0.139 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)c1nccnc1C(N)=O)C(C)C ZINC001319957310 817259890 /nfs/dbraw/zinc/25/98/90/817259890.db2.gz IOWDNPRADMVODS-JTQLQIEISA-N 1 0 289.339 -0.447 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)CCCO ZINC001319999533 817266702 /nfs/dbraw/zinc/26/67/02/817266702.db2.gz ICKLCVHGFDVBCY-LBPRGKRZSA-N 1 0 256.346 -0.203 20 30 CBEDRO C=CC[N@@H+](C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001320016612 817269079 /nfs/dbraw/zinc/26/90/79/817269079.db2.gz RLVJVUNKIBFJCB-UHFFFAOYSA-N 1 0 280.328 -0.475 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001320049102 817271851 /nfs/dbraw/zinc/27/18/51/817271851.db2.gz CPOYXXCWWMLPLH-NEPJUHHUSA-N 1 0 265.357 -0.089 20 30 CBEDRO C#CC[N@@H+](C)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001320079937 817275786 /nfs/dbraw/zinc/27/57/86/817275786.db2.gz ATAIDIMLQOETEY-UHFFFAOYSA-N 1 0 265.313 -0.841 20 30 CBEDRO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@@H]21 ZINC001320099013 817277459 /nfs/dbraw/zinc/27/74/59/817277459.db2.gz ZLCWJZSNGKXHMX-OLZOCXBDSA-N 1 0 263.341 -0.322 20 30 CBEDRO N#CCNC(=O)CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001320122363 817279256 /nfs/dbraw/zinc/27/92/56/817279256.db2.gz JHMXPASEDBCAGT-GFCCVEGCSA-N 1 0 293.371 -0.960 20 30 CBEDRO N#CCNC(=O)CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001320122366 817280407 /nfs/dbraw/zinc/28/04/07/817280407.db2.gz JHMXPASEDBCAGT-LBPRGKRZSA-N 1 0 293.371 -0.960 20 30 CBEDRO C#CCOCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCO ZINC001320136884 817280484 /nfs/dbraw/zinc/28/04/84/817280484.db2.gz TULLNUKXTSFFPF-STQMWFEESA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320136881 817280734 /nfs/dbraw/zinc/28/07/34/817280734.db2.gz TULLNUKXTSFFPF-CHWSQXEVSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001320183752 817285165 /nfs/dbraw/zinc/28/51/65/817285165.db2.gz BOOYVVKBUYBIEX-GXSJLCMTSA-N 1 0 257.334 -0.846 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)cn1 ZINC001320184658 817285254 /nfs/dbraw/zinc/28/52/54/817285254.db2.gz FWAMYPAFMXWKSU-GFCCVEGCSA-N 1 0 292.339 -0.885 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001320188370 817287784 /nfs/dbraw/zinc/28/77/84/817287784.db2.gz RTEXSTJFADLKDE-MRVPVSSYSA-N 1 0 252.274 -0.952 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001320200038 817288745 /nfs/dbraw/zinc/28/87/45/817288745.db2.gz CYRQHXGEELDCNI-NSHDSACASA-N 1 0 264.329 -0.568 20 30 CBEDRO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C#CC2CC2)ncn1 ZINC001320216985 817296153 /nfs/dbraw/zinc/29/61/53/817296153.db2.gz LRCNAFPBSRIBSZ-AWEZNQCLSA-N 1 0 288.351 -0.235 20 30 CBEDRO CC(C)C#CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001320217416 817296493 /nfs/dbraw/zinc/29/64/93/817296493.db2.gz OCRDPBFMRIUWFK-RYUDHWBXSA-N 1 0 283.372 -0.811 20 30 CBEDRO C[C@H](O)CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001320219081 817296847 /nfs/dbraw/zinc/29/68/47/817296847.db2.gz ZCSDOWGQUBYVEJ-JQWIXIFHSA-N 1 0 294.355 -0.272 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001320226135 817297045 /nfs/dbraw/zinc/29/70/45/817297045.db2.gz ABHVTWLBCJRYDZ-JSGCOSHPSA-N 1 0 292.383 -0.082 20 30 CBEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001320219708 817297650 /nfs/dbraw/zinc/29/76/50/817297650.db2.gz ZTELDGNNPWRVOO-QWRGUYRKSA-N 1 0 297.380 -0.252 20 30 CBEDRO C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001320227154 817298273 /nfs/dbraw/zinc/29/82/73/817298273.db2.gz LMNXDVUQZGRAQQ-VXGBXAGGSA-N 1 0 283.372 -0.502 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ccnn1C ZINC001320227365 817298868 /nfs/dbraw/zinc/29/88/68/817298868.db2.gz PKDPQYHWIUKAAH-GFCCVEGCSA-N 1 0 264.329 -0.947 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001320227749 817298899 /nfs/dbraw/zinc/29/88/99/817298899.db2.gz UIRRKOWSNIPDGV-SECBINFHSA-N 1 0 286.282 -0.018 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001320226850 817298923 /nfs/dbraw/zinc/29/89/23/817298923.db2.gz HXSLWJUXSRHFFZ-VIFPVBQESA-N 1 0 286.282 -0.018 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001320234650 817299400 /nfs/dbraw/zinc/29/94/00/817299400.db2.gz LFMXGVNHCRJQPP-JTQLQIEISA-N 1 0 280.328 -0.963 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001320232110 817299587 /nfs/dbraw/zinc/29/95/87/817299587.db2.gz BGUUSCCQKMWAAD-LLVKDONJSA-N 1 0 265.313 -0.384 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cncc2[nH]cnc21 ZINC001320230482 817299920 /nfs/dbraw/zinc/29/99/20/817299920.db2.gz JWPJHIZOOHQWTE-JTQLQIEISA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001320229819 817300460 /nfs/dbraw/zinc/30/04/60/817300460.db2.gz HBCWQTYTLXGLBW-SNVBAGLBSA-N 1 0 294.359 -0.868 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CC ZINC001320235607 817301499 /nfs/dbraw/zinc/30/14/99/817301499.db2.gz PHZNQRBZMUVNFQ-KGLIPLIRSA-N 1 0 277.368 -0.826 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001320234652 817301659 /nfs/dbraw/zinc/30/16/59/817301659.db2.gz LFMXGVNHCRJQPP-SNVBAGLBSA-N 1 0 280.328 -0.963 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)Cn1nc(C)cc1C ZINC001320244793 817302996 /nfs/dbraw/zinc/30/29/96/817302996.db2.gz JTGFCNRKHDIPQB-GFCCVEGCSA-N 1 0 266.345 -0.247 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cncc(CC)c1 ZINC001320250623 817304535 /nfs/dbraw/zinc/30/45/35/817304535.db2.gz RNPUQMQYGKTEEO-CYBMUJFWSA-N 1 0 261.325 -0.043 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001320258901 817305560 /nfs/dbraw/zinc/30/55/60/817305560.db2.gz MGFYJXOTOMGWMX-OLZOCXBDSA-N 1 0 294.355 -0.802 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](OC)C1CCC1 ZINC001320257349 817305762 /nfs/dbraw/zinc/30/57/62/817305762.db2.gz HTYKEBPLYCQFLL-ZIAGYGMSSA-N 1 0 298.383 -0.482 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC ZINC001320259110 817306416 /nfs/dbraw/zinc/30/64/16/817306416.db2.gz OSFAUQRSNVVMNO-ZJUUUORDSA-N 1 0 271.361 -0.600 20 30 CBEDRO C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+][C@@H](C)C(=O)NC ZINC001320259109 817306490 /nfs/dbraw/zinc/30/64/90/817306490.db2.gz OSFAUQRSNVVMNO-VHSXEESVSA-N 1 0 271.361 -0.600 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001320261830 817306570 /nfs/dbraw/zinc/30/65/70/817306570.db2.gz DKKGXPGKBWCKOM-YPMHNXCESA-N 1 0 290.367 -0.775 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001320262337 817307250 /nfs/dbraw/zinc/30/72/50/817307250.db2.gz GULXPHPQZORCLM-MFKMUULPSA-N 1 0 269.345 -0.845 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC1(C)C ZINC001320263550 817307888 /nfs/dbraw/zinc/30/78/88/817307888.db2.gz NPYFQAQYCUCELN-VXGBXAGGSA-N 1 0 297.399 -0.209 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ocnc1CC ZINC001320274184 817310996 /nfs/dbraw/zinc/31/09/96/817310996.db2.gz OZXBTDKPESPIJV-JTQLQIEISA-N 1 0 265.313 -0.059 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C)CC(=C)C1 ZINC001320276391 817311230 /nfs/dbraw/zinc/31/12/30/817311230.db2.gz ZWDQMEGWNNCJHM-GFCCVEGCSA-N 1 0 295.383 -0.288 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320278944 817311425 /nfs/dbraw/zinc/31/14/25/817311425.db2.gz CMQCUKHHLZBHSF-LBPRGKRZSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#Cc1cncc(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)COC)c1 ZINC001320274765 817311508 /nfs/dbraw/zinc/31/15/08/817311508.db2.gz ROUOSTJNHFPGGH-FZMZJTMJSA-N 1 0 291.351 -0.222 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001320278943 817311640 /nfs/dbraw/zinc/31/16/40/817311640.db2.gz CMQCUKHHLZBHSF-GFCCVEGCSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001320283289 817312548 /nfs/dbraw/zinc/31/25/48/817312548.db2.gz XHQOORIDNFRYSV-LLVKDONJSA-N 1 0 250.302 -0.958 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl)nn1 ZINC001320281924 817313141 /nfs/dbraw/zinc/31/31/41/817313141.db2.gz DZOBVTQPLAHRTN-XOULXFPDSA-N 1 0 299.762 -0.103 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001320284049 817313299 /nfs/dbraw/zinc/31/32/99/817313299.db2.gz QZNWSRUKDKXGSI-CYBMUJFWSA-N 1 0 294.355 -0.941 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1c(C)nn(C)c1OC ZINC001320282275 817313421 /nfs/dbraw/zinc/31/34/21/817313421.db2.gz HLNFPOMBVHLYME-LLVKDONJSA-N 1 0 294.355 -0.559 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cn(CC)nc1C ZINC001320281461 817313454 /nfs/dbraw/zinc/31/34/54/817313454.db2.gz APVIKSSCVPWSBQ-GFCCVEGCSA-N 1 0 278.356 -0.085 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001320286920 817313909 /nfs/dbraw/zinc/31/39/09/817313909.db2.gz SCXNNYXWIUCHMP-SSDOTTSWSA-N 1 0 290.245 -0.258 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001320286982 817313940 /nfs/dbraw/zinc/31/39/40/817313940.db2.gz SPANXNKCPRUPKW-LLVKDONJSA-N 1 0 262.313 -0.891 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cnc(C)nc1C ZINC001320285863 817314305 /nfs/dbraw/zinc/31/43/05/817314305.db2.gz GDBZRRXWDZDXCN-LBPRGKRZSA-N 1 0 276.340 -0.203 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001320286559 817315032 /nfs/dbraw/zinc/31/50/32/817315032.db2.gz LRTNLGQVUVABEP-NSHDSACASA-N 1 0 275.312 -0.404 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001320286332 817315149 /nfs/dbraw/zinc/31/51/49/817315149.db2.gz JQUFWPAOMQITHH-LBPRGKRZSA-N 1 0 289.339 -0.014 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001320295686 817317696 /nfs/dbraw/zinc/31/76/96/817317696.db2.gz MGIIWHKTBKNVJF-ZDUSSCGKSA-N 1 0 276.340 -0.393 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ncccc1OC ZINC001320299464 817318623 /nfs/dbraw/zinc/31/86/23/817318623.db2.gz LNGBLRJMZUUWJQ-SNVBAGLBSA-N 1 0 265.313 -0.044 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1cncn1C ZINC001320303712 817319470 /nfs/dbraw/zinc/31/94/70/817319470.db2.gz NRQTVYQSZOHHHO-CYBMUJFWSA-N 1 0 278.356 -0.557 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)COc1ccc(OC)cc1 ZINC001320310802 817319831 /nfs/dbraw/zinc/31/98/31/817319831.db2.gz BIOLVNUGPWOJNV-LBPRGKRZSA-N 1 0 292.335 -0.226 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)Cc1nc(C2CC2)nn1C ZINC001320313508 817319890 /nfs/dbraw/zinc/31/98/90/817319890.db2.gz LVGHHQZWDSMUDK-NSHDSACASA-N 1 0 293.371 -0.512 20 30 CBEDRO C=C[C@@H](COC)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001320303500 817320236 /nfs/dbraw/zinc/32/02/36/817320236.db2.gz ZLXLHZRGWMNPGM-RYUDHWBXSA-N 1 0 270.377 -0.268 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001320316327 817320830 /nfs/dbraw/zinc/32/08/30/817320830.db2.gz NAOVQSZOPXSAGQ-JSGCOSHPSA-N 1 0 285.388 -0.210 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC001320342200 817323230 /nfs/dbraw/zinc/32/32/30/817323230.db2.gz HBTUDOYWLKJMJM-NEPJUHHUSA-N 1 0 283.372 -0.048 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cncs1 ZINC001320362335 817327702 /nfs/dbraw/zinc/32/77/02/817327702.db2.gz NYWNQBKNKUNPKF-JTQLQIEISA-N 1 0 294.380 -0.010 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCOC1 ZINC001320370866 817329033 /nfs/dbraw/zinc/32/90/33/817329033.db2.gz HSSUWHVGVIUDMV-STQMWFEESA-N 1 0 295.383 -0.353 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCOC1 ZINC001320370863 817329373 /nfs/dbraw/zinc/32/93/73/817329373.db2.gz HSSUWHVGVIUDMV-CHWSQXEVSA-N 1 0 295.383 -0.353 20 30 CBEDRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C#CC1CC1)C(N)=O ZINC001320425278 817337556 /nfs/dbraw/zinc/33/75/56/817337556.db2.gz XZJWCSHWTIBKRM-VHSXEESVSA-N 1 0 251.330 -0.242 20 30 CBEDRO COCC#CC[NH2+]CC[C@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001320455481 817339642 /nfs/dbraw/zinc/33/96/42/817339642.db2.gz RDYWWAANZWQQJC-NSHDSACASA-N 1 0 292.339 -0.070 20 30 CBEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529848 817349095 /nfs/dbraw/zinc/34/90/95/817349095.db2.gz NVDVHWLUGKMXNJ-NXEZZACHSA-N 1 0 254.334 -0.272 20 30 CBEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001320529852 817349735 /nfs/dbraw/zinc/34/97/35/817349735.db2.gz 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C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001170807441 820326283 /nfs/dbraw/zinc/32/62/83/820326283.db2.gz YSQSSADGHYOVHT-GFCCVEGCSA-N 1 0 278.360 -0.039 20 30 CBEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001170904614 820335483 /nfs/dbraw/zinc/33/54/83/820335483.db2.gz KMPPKCMAILJWFS-GMTAPVOTSA-N 1 0 253.302 -0.496 20 30 CBEDRO C=CC[NH2+]CCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001171025518 820344806 /nfs/dbraw/zinc/34/48/06/820344806.db2.gz GRQLOKSLUWAFMN-UHFFFAOYSA-N 1 0 268.317 -0.838 20 30 CBEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C(CO)(CO)CO ZINC001171181311 820348273 /nfs/dbraw/zinc/34/82/73/820348273.db2.gz JONIFMPSMKIIHY-LLVKDONJSA-N 1 0 264.325 -0.205 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001171260537 820356805 /nfs/dbraw/zinc/35/68/05/820356805.db2.gz KEZVEIUGXLKZHK-CYBMUJFWSA-N 1 0 295.383 -0.257 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001171628433 820366560 /nfs/dbraw/zinc/36/65/60/820366560.db2.gz VRYYCHROTFNVAK-LBPRGKRZSA-N 1 0 251.330 -0.274 20 30 CBEDRO C=CCOC1CCC([NH2+]C(C(N)=O)C(N)=O)CC1 ZINC001173312510 820401075 /nfs/dbraw/zinc/40/10/75/820401075.db2.gz IJZFIRXLMOUAHE-UHFFFAOYSA-N 1 0 255.318 -0.571 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001174835752 820417769 /nfs/dbraw/zinc/41/77/69/820417769.db2.gz KFJQWMCGNWBGCB-CYBMUJFWSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(N)=O ZINC001175024157 820421857 /nfs/dbraw/zinc/42/18/57/820421857.db2.gz YRYXZFRJUUNSEZ-LLVKDONJSA-N 1 0 271.361 -0.061 20 30 CBEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CN1C(=O)CNC1=O ZINC001175567070 820429794 /nfs/dbraw/zinc/42/97/94/820429794.db2.gz IADVVXWSRCLCGT-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO COCC#CC[NH2+]CCCNC(=O)Cn1ccccc1=O ZINC001175732487 820432119 /nfs/dbraw/zinc/43/21/19/820432119.db2.gz JKJOVJUHGRPBPT-UHFFFAOYSA-N 1 0 291.351 -0.406 20 30 CBEDRO C#CCC[NH2+]CCCNC(=O)Cc1nc2ncccn2n1 ZINC001176065286 820438496 /nfs/dbraw/zinc/43/84/96/820438496.db2.gz ZPKZUYDUKKRXMO-UHFFFAOYSA-N 1 0 286.339 -0.214 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)Cc1nc2ncccn2n1 ZINC001176072127 820438956 /nfs/dbraw/zinc/43/89/56/820438956.db2.gz LVTGPZLQFMSZPL-UHFFFAOYSA-N 1 0 286.339 -0.214 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001176289750 820444261 /nfs/dbraw/zinc/44/42/61/820444261.db2.gz TZHQDORWOJTOOD-JTQLQIEISA-N 1 0 275.374 -0.650 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CNC(=O)[C@H](C)CC ZINC001176327193 820446165 /nfs/dbraw/zinc/44/61/65/820446165.db2.gz CVKIAUACIPLLAC-LLVKDONJSA-N 1 0 253.346 -0.122 20 30 CBEDRO C=CCC[NH2+]CCCNC(=O)CS(=O)(=O)NC ZINC001176343541 820447052 /nfs/dbraw/zinc/44/70/52/820447052.db2.gz YDIFXPPUPHUEJY-UHFFFAOYSA-N 1 0 263.363 -0.792 20 30 CBEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001176485367 820451473 /nfs/dbraw/zinc/45/14/73/820451473.db2.gz FHGCBKCKJCXMPZ-LLVKDONJSA-N 1 0 294.355 -0.564 20 30 CBEDRO CC#CC[NH2+]CCCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001176538453 820452382 /nfs/dbraw/zinc/45/23/82/820452382.db2.gz LKLQOUMXVDDPQO-ZDUSSCGKSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001176965762 820483492 /nfs/dbraw/zinc/48/34/92/820483492.db2.gz QVZZBZNRTSSKKA-NEPJUHHUSA-N 1 0 254.330 -0.951 20 30 CBEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](CO)[C@H](CCO)C2)C1=O ZINC001176966460 820483590 /nfs/dbraw/zinc/48/35/90/820483590.db2.gz ZAMOJNWKYJGSMQ-UPJWGTAASA-N 1 0 268.357 -0.304 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCCC=C ZINC001177260365 820500628 /nfs/dbraw/zinc/50/06/28/820500628.db2.gz JXDNXGYYQYRGSE-CYBMUJFWSA-N 1 0 295.383 -0.187 20 30 CBEDRO C=CCCOCC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001177260377 820500816 /nfs/dbraw/zinc/50/08/16/820500816.db2.gz KJEJBJYYVUGLSI-LBPRGKRZSA-N 1 0 283.372 -0.094 20 30 CBEDRO C=CCO[C@H](C)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001177273686 820501113 /nfs/dbraw/zinc/50/11/13/820501113.db2.gz VZMCMUZUAZSCFP-WDEREUQCSA-N 1 0 296.375 -0.042 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCCC=C ZINC001177260366 820501235 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820513754 /nfs/dbraw/zinc/51/37/54/820513754.db2.gz WKYAOXQXXXZSHN-UHFFFAOYSA-N 1 0 279.344 -0.719 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001177418712 820514930 /nfs/dbraw/zinc/51/49/30/820514930.db2.gz APEVIXXSXCZEGP-UHFFFAOYSA-N 1 0 260.297 -0.477 20 30 CBEDRO C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001177443499 820520615 /nfs/dbraw/zinc/52/06/15/820520615.db2.gz CUDUBLLGPHZHOO-LBPRGKRZSA-N 1 0 298.387 -0.172 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001177454950 820522485 /nfs/dbraw/zinc/52/24/85/820522485.db2.gz FFSUOQVVHCSHTQ-LBPRGKRZSA-N 1 0 281.356 -0.599 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)N2CC(CO)(CO)C2)CC1 ZINC001177499689 820523465 /nfs/dbraw/zinc/52/34/65/820523465.db2.gz YEWKVFHEPNNVJE-UHFFFAOYSA-N 1 0 266.341 -0.855 20 30 CBEDRO CCn1nc(C)c(C(=O)NCCC[NH2+]CC#CCOC)n1 ZINC001177504985 820523850 /nfs/dbraw/zinc/52/38/50/820523850.db2.gz LZDQAUBEOKQPMR-UHFFFAOYSA-N 1 0 293.371 -0.034 20 30 CBEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001177601043 820527446 /nfs/dbraw/zinc/52/74/46/820527446.db2.gz LXHBKHASOOAYMW-JTQLQIEISA-N 1 0 267.329 -0.289 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001177633042 820530304 /nfs/dbraw/zinc/53/03/04/820530304.db2.gz WDMCIHZTBBTZPS-UHFFFAOYSA-N 1 0 260.297 -0.477 20 30 CBEDRO C#CC[NH2+]CCCNC(=O)CCCCCS(N)(=O)=O ZINC001177643577 820530495 /nfs/dbraw/zinc/53/04/95/820530495.db2.gz PIEVDWAQCPXZQA-UHFFFAOYSA-N 1 0 289.401 -0.436 20 30 CBEDRO CO[C@@H](C)C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001177937121 820551116 /nfs/dbraw/zinc/55/11/16/820551116.db2.gz GKDQVZZTMVEEER-LBPRGKRZSA-N 1 0 298.387 -0.073 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC001177983053 820551536 /nfs/dbraw/zinc/55/15/36/820551536.db2.gz KRWJQVKZEIZPIS-SRVKXCTJSA-N 1 0 281.356 -0.650 20 30 CBEDRO C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C(C)(C)F ZINC001178023339 820555078 /nfs/dbraw/zinc/55/50/78/820555078.db2.gz ODPWBCCNGKCQTR-UWVGGRQHSA-N 1 0 284.335 -0.047 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OCC)[C@H]1C ZINC001178179358 820566772 /nfs/dbraw/zinc/56/67/72/820566772.db2.gz PVTQLDGLJSZWAB-XQQFMLRXSA-N 1 0 295.383 -0.260 20 30 CBEDRO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CSCC#N)[C@H]1C ZINC001178156561 820567507 /nfs/dbraw/zinc/56/75/07/820567507.db2.gz YZLBEAFGPUMEGL-VWYCJHECSA-N 1 0 298.412 -0.043 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178156235 820567852 /nfs/dbraw/zinc/56/78/52/820567852.db2.gz NLRWSYLMDOBNTR-JQWIXIFHSA-N 1 0 251.330 -0.323 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+]CCCO ZINC001178263028 820570089 /nfs/dbraw/zinc/57/00/89/820570089.db2.gz XKOFQKAYKMKOMV-UHFFFAOYSA-N 1 0 297.399 -0.226 20 30 CBEDRO C#CCNC(=O)CC(=O)NCCCCCC[NH2+]CCO ZINC001178262031 820571111 /nfs/dbraw/zinc/57/11/11/820571111.db2.gz CGGNDOILUSZDEH-UHFFFAOYSA-N 1 0 283.372 -0.616 20 30 CBEDRO C#CCC[NH2+][C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178217229 820571367 /nfs/dbraw/zinc/57/13/67/820571367.db2.gz WIOREYBDZFROFE-QWRGUYRKSA-N 1 0 267.329 -0.055 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)[C@@H]1C ZINC001178339018 820574711 /nfs/dbraw/zinc/57/47/11/820574711.db2.gz QCNJYZMJCBKDBT-RYUDHWBXSA-N 1 0 283.372 -0.096 20 30 CBEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001178324434 820574941 /nfs/dbraw/zinc/57/49/41/820574941.db2.gz NPTXNHBWEFRAAK-QWRGUYRKSA-N 1 0 296.371 -0.013 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCOCC)[C@H]1C ZINC001178328267 820575648 /nfs/dbraw/zinc/57/56/48/820575648.db2.gz NBLBJDCWWVSLPS-STQMWFEESA-N 1 0 295.383 -0.259 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)COC)[C@H]1C ZINC001178308136 820575792 /nfs/dbraw/zinc/57/57/92/820575792.db2.gz FOBAFSPPIJGBPL-AVGNSLFASA-N 1 0 295.383 -0.403 20 30 CBEDRO C=CCOCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC)[C@@H]1C ZINC001178339219 820576111 /nfs/dbraw/zinc/57/61/11/820576111.db2.gz YNKMBULTBAOXHA-WOPDTQHZSA-N 1 0 283.372 -0.098 20 30 CBEDRO 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C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185270560 821122028 /nfs/dbraw/zinc/12/20/28/821122028.db2.gz ISXWIEDNFCBDPX-ZJUUUORDSA-N 1 0 252.318 -0.566 20 30 CBEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185430535 821131353 /nfs/dbraw/zinc/13/13/53/821131353.db2.gz LUJZAAVFCCSJNV-QMTHXVAHSA-N 1 0 296.371 -0.026 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185476453 821132431 /nfs/dbraw/zinc/13/24/31/821132431.db2.gz DCFYWTQYYYKFDN-RISCZKNCSA-N 1 0 263.341 -0.131 20 30 CBEDRO COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185486489 821132555 /nfs/dbraw/zinc/13/25/55/821132555.db2.gz AKGJHGDVZABFHA-DOMZBBRYSA-N 1 0 293.367 -0.505 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633091 821137268 /nfs/dbraw/zinc/13/72/68/821137268.db2.gz KANZGQSBIOPNBM-BXUZGUMPSA-N 1 0 263.341 -0.274 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001185758717 821141054 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297.403 -0.597 20 30 CBEDRO C=CCn1cc(C(=O)NC[C@@H](C)[N@H+](C)CCO)nn1 ZINC001282464523 828448933 /nfs/dbraw/zinc/44/89/33/828448933.db2.gz MEUQMHSEPOMPKV-SNVBAGLBSA-N 1 0 267.333 -0.494 20 30 CBEDRO C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001282466151 828449583 /nfs/dbraw/zinc/44/95/83/828449583.db2.gz ANKZRQBFRKRYLA-MNOVXSKESA-N 1 0 289.401 -0.616 20 30 CBEDRO C#CCN1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282545896 828452457 /nfs/dbraw/zinc/45/24/57/828452457.db2.gz WDZQTBDKOZTMNN-GFCCVEGCSA-N 1 0 265.357 -0.876 20 30 CBEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001282743759 828456728 /nfs/dbraw/zinc/45/67/28/828456728.db2.gz FFVSZCBBMAHLKU-SECBINFHSA-N 1 0 275.374 -0.842 20 30 CBEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)CNC(=O)NC)C1 ZINC001282718060 828455130 /nfs/dbraw/zinc/45/51/30/828455130.db2.gz WPFFBQFTKAUFOP-SNVBAGLBSA-N 1 0 268.361 -0.072 20 30 CBEDRO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C#CC2CC2)C1 ZINC001282707670 828455607 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CC#CC[NH2+]C[C@H](O)CNC(=O)c1cnc(Cl)n1C ZINC001268314585 827293850 /nfs/dbraw/zinc/29/38/50/827293850.db2.gz MLDYGVHFCBFBRG-VIFPVBQESA-N 1 0 284.747 -0.223 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268312731 827294369 /nfs/dbraw/zinc/29/43/69/827294369.db2.gz ZRGZGAYKHKUSMN-SNVBAGLBSA-N 1 0 278.312 -0.887 20 30 CBEDRO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001268314746 827294598 /nfs/dbraw/zinc/29/45/98/827294598.db2.gz LBPOKUXAGPFEMX-WDEREUQCSA-N 1 0 298.387 -0.625 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001268312730 827294763 /nfs/dbraw/zinc/29/47/63/827294763.db2.gz ZRGZGAYKHKUSMN-JTQLQIEISA-N 1 0 278.312 -0.887 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1coc(OC)n1 ZINC001268315552 827295264 /nfs/dbraw/zinc/29/52/64/827295264.db2.gz DSMPJSQKJOBIAR-SECBINFHSA-N 1 0 269.301 -0.060 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1c(C)nc[nH]c1=O ZINC001268316497 827296070 /nfs/dbraw/zinc/29/60/70/827296070.db2.gz 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CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001268327561 827303016 /nfs/dbraw/zinc/30/30/16/827303016.db2.gz JJELNHNYGIOSMV-CQSZACIVSA-N 1 0 290.367 -0.003 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001268328738 827303313 /nfs/dbraw/zinc/30/33/13/827303313.db2.gz ONBVYKFSNWSAOE-CYBMUJFWSA-N 1 0 285.388 -0.649 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1Cl ZINC001268329598 827304674 /nfs/dbraw/zinc/30/46/74/827304674.db2.gz VIZWFVWJVUBINN-QMMMGPOBSA-N 1 0 272.736 -0.060 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)CNC(C)=O ZINC001268329043 827305099 /nfs/dbraw/zinc/30/50/99/827305099.db2.gz REOARGRQSYCDGU-NSHDSACASA-N 1 0 271.361 -0.599 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001268333538 827305816 /nfs/dbraw/zinc/30/58/16/827305816.db2.gz FCCYQTBKGWNAIY-WCQYABFASA-N 1 0 290.367 -0.395 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)Cc1cccc(OC)c1 ZINC001268331710 827306393 /nfs/dbraw/zinc/30/63/93/827306393.db2.gz JXYXXDLTANNNQP-ZDUSSCGKSA-N 1 0 276.336 -0.062 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001268335898 827307389 /nfs/dbraw/zinc/30/73/89/827307389.db2.gz PTFAFODKACTKEB-LLVKDONJSA-N 1 0 287.323 -0.339 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2c1 ZINC001268335900 827307594 /nfs/dbraw/zinc/30/75/94/827307594.db2.gz PTFAFODKACTKEB-NSHDSACASA-N 1 0 287.323 -0.339 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)CN1C(=O)CCC1=O ZINC001268334695 827307641 /nfs/dbraw/zinc/30/76/41/827307641.db2.gz FRBFGXHBFGVXBE-LLVKDONJSA-N 1 0 297.355 -0.832 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001268335298 827308736 /nfs/dbraw/zinc/30/87/36/827308736.db2.gz KXGKWYGXWBPFRZ-MFKMUULPSA-N 1 0 292.383 -0.095 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001268338252 827309035 /nfs/dbraw/zinc/30/90/35/827309035.db2.gz MSWDPMSBJOMTPS-DOMZBBRYSA-N 1 0 295.383 -0.475 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)CCCc1nc(C)no1 ZINC001268337194 827309185 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C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001268392205 827321974 /nfs/dbraw/zinc/32/19/74/827321974.db2.gz BJSNLCJHEWMKNH-DTWKUNHWSA-N 1 0 274.752 -0.095 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001268402574 827322426 /nfs/dbraw/zinc/32/24/26/827322426.db2.gz TVKNLMCTFPWPLN-VXGBXAGGSA-N 1 0 290.371 -0.257 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268409018 827322476 /nfs/dbraw/zinc/32/24/76/827322476.db2.gz RRNAIUUFWHEAKJ-SECBINFHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001268422139 827325024 /nfs/dbraw/zinc/32/50/24/827325024.db2.gz XRIQNCVVLDJJKU-SNVBAGLBSA-N 1 0 267.329 -0.194 20 30 CBEDRO C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1COCCO1 ZINC001268435931 827328439 /nfs/dbraw/zinc/32/84/39/827328439.db2.gz PDDCFARGKZLRKP-LBPRGKRZSA-N 1 0 299.371 -0.858 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)CN1CCOCC1 ZINC001268445067 827330319 /nfs/dbraw/zinc/33/03/19/827330319.db2.gz JZFFQVBGCFXFBE-UHFFFAOYSA-N 1 0 267.373 -0.220 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]C[C@@H](C)O ZINC001268449641 827333193 /nfs/dbraw/zinc/33/31/93/827333193.db2.gz KQDSEQDUMUMFEW-NEPJUHHUSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H](C)O ZINC001268459672 827334185 /nfs/dbraw/zinc/33/41/85/827334185.db2.gz ZOWCQRAXAWJFRF-KBPBESRZSA-N 1 0 281.400 -0.097 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C1CC(OC)C1 ZINC001268457751 827334720 /nfs/dbraw/zinc/33/47/20/827334720.db2.gz PEXIXCWWVWSNGK-UHFFFAOYSA-N 1 0 296.371 -0.511 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1cnoc1 ZINC001268472926 827338826 /nfs/dbraw/zinc/33/88/26/827338826.db2.gz KBVSNSCKGVRUGL-UHFFFAOYSA-N 1 0 293.327 -0.705 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001268498226 827343488 /nfs/dbraw/zinc/34/34/88/827343488.db2.gz VOTSPIZOIWFYLL-UHFFFAOYSA-N 1 0 278.312 -0.829 20 30 CBEDRO CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001268521295 827352804 /nfs/dbraw/zinc/35/28/04/827352804.db2.gz 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266.345 -0.061 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1nnn(C)n1 ZINC001272302194 827777851 /nfs/dbraw/zinc/77/78/51/827777851.db2.gz PDBKDPXJRFXWCB-UWVGGRQHSA-N 1 0 262.317 -0.669 20 30 CBEDRO C#CC[NH2+]CC[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001272339355 827781565 /nfs/dbraw/zinc/78/15/65/827781565.db2.gz OYTKWTQAYZFDHF-LBPRGKRZSA-N 1 0 251.330 -0.416 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)C1CCOCC1 ZINC001272350641 827782223 /nfs/dbraw/zinc/78/22/23/827782223.db2.gz CHUCPDHDYKKJCU-GFCCVEGCSA-N 1 0 254.330 -0.497 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)no1 ZINC001272361437 827784984 /nfs/dbraw/zinc/78/49/84/827784984.db2.gz HEDPVPCSDWZANE-NSHDSACASA-N 1 0 281.312 -0.687 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC=CCC1 ZINC001272362348 827785204 /nfs/dbraw/zinc/78/52/04/827785204.db2.gz MRPQFAVOJNQYFN-STQMWFEESA-N 1 0 293.367 -0.841 20 30 CBEDRO N#CCSCC(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001272370816 827786743 /nfs/dbraw/zinc/78/67/43/827786743.db2.gz GVDWFEXFAXGHQG-JTQLQIEISA-N 1 0 257.359 -0.280 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)COC(C)C ZINC001272372438 827787819 /nfs/dbraw/zinc/78/78/19/827787819.db2.gz PTRPUHUTJMTJJV-LBPRGKRZSA-N 1 0 272.345 -0.872 20 30 CBEDRO CC[C@H](OC)C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001272381526 827788816 /nfs/dbraw/zinc/78/88/16/827788816.db2.gz STEHGCFAJSVSOK-RYUDHWBXSA-N 1 0 272.345 -0.872 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001272380004 827788893 /nfs/dbraw/zinc/78/88/93/827788893.db2.gz LGLSDIXKYNJBKR-ZYHUDNBSSA-N 1 0 262.313 -0.192 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001272379611 827789116 /nfs/dbraw/zinc/78/91/16/827789116.db2.gz KGKFAPKAISRYDP-NSHDSACASA-N 1 0 264.329 -0.270 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001272389757 827789917 /nfs/dbraw/zinc/78/99/17/827789917.db2.gz SHQPZJQNLKPZQM-NWDGAFQWSA-N 1 0 254.330 -0.497 20 30 CBEDRO C[C@H](O)CCC[NH2+]C[C@H](O)CNC(=O)c1cc(C#N)c[nH]1 ZINC001272390047 827790434 /nfs/dbraw/zinc/79/04/34/827790434.db2.gz WKWWLZUUEZKJCE-JQWIXIFHSA-N 1 0 294.355 -0.272 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccnn1CC ZINC001272397064 827790905 /nfs/dbraw/zinc/79/09/05/827790905.db2.gz GENOQLIRNHXLIR-JTQLQIEISA-N 1 0 252.318 -0.231 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001272399384 827791813 /nfs/dbraw/zinc/79/18/13/827791813.db2.gz XNMMIYGFAOIIKM-QWRGUYRKSA-N 1 0 267.333 -0.518 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cc(C)ncn1 ZINC001272398533 827792035 /nfs/dbraw/zinc/79/20/35/827792035.db2.gz RILIIADLPBJKBL-JTQLQIEISA-N 1 0 250.302 -0.349 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn(CC)n1 ZINC001272406775 827792821 /nfs/dbraw/zinc/79/28/21/827792821.db2.gz PQVIIXWFCPIJTI-SNVBAGLBSA-N 1 0 265.317 -0.998 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001272406926 827793428 /nfs/dbraw/zinc/79/34/28/827793428.db2.gz SEQIATXIZXQZBN-JTQLQIEISA-N 1 0 266.301 -0.989 20 30 CBEDRO C#CCO[C@H](C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001272413427 827795043 /nfs/dbraw/zinc/79/50/43/827795043.db2.gz CSHDANHPNDDVLT-YPMHNXCESA-N 1 0 294.355 -0.975 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(CCOC)c1C ZINC001272413906 827795266 /nfs/dbraw/zinc/79/52/66/827795266.db2.gz JRDUBFYNHKDQEE-LBPRGKRZSA-N 1 0 294.355 -0.849 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001272414514 827796119 /nfs/dbraw/zinc/79/61/19/827796119.db2.gz PTQAKRJWKXGHLB-VXGBXAGGSA-N 1 0 272.345 -0.565 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)NC(=O)CC ZINC001272425197 827796290 /nfs/dbraw/zinc/79/62/90/827796290.db2.gz IZFGVWQXOVWBNU-QWRGUYRKSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001272425135 827796456 /nfs/dbraw/zinc/79/64/56/827796456.db2.gz IISZHJHCVRKENH-SECBINFHSA-N 1 0 282.348 -0.706 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001272434324 827797559 /nfs/dbraw/zinc/79/75/59/827797559.db2.gz DQLGDTDMVZOLMU-SNVBAGLBSA-N 1 0 279.344 -0.653 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)C1(COC)CCCC1 ZINC001272435589 827797616 /nfs/dbraw/zinc/79/76/16/827797616.db2.gz UZEJYTFGZBDXIY-GFCCVEGCSA-N 1 0 268.357 -0.107 20 30 CBEDRO C=C(C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC ZINC001272435307 827797821 /nfs/dbraw/zinc/79/78/21/827797821.db2.gz QUBJCUVWNYTABX-JTQLQIEISA-N 1 0 257.334 -0.845 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)C1(COC)CCCC1 ZINC001272435590 827797911 /nfs/dbraw/zinc/79/79/11/827797911.db2.gz UZEJYTFGZBDXIY-LBPRGKRZSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001272443085 827798482 /nfs/dbraw/zinc/79/84/82/827798482.db2.gz KSDFDTHRUOGJCM-DOMZBBRYSA-N 1 0 295.383 -0.761 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001272444455 827798951 /nfs/dbraw/zinc/79/89/51/827798951.db2.gz UHLAJVIHSAKDAZ-OLZOCXBDSA-N 1 0 297.399 -0.112 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnn2ncccc12 ZINC001272444149 827799359 /nfs/dbraw/zinc/79/93/59/827799359.db2.gz SGKDSNRBSZMANV-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2nc[nH]c2n1 ZINC001272452817 827800922 /nfs/dbraw/zinc/80/09/22/827800922.db2.gz JGSHJFVATULIJP-VIFPVBQESA-N 1 0 273.296 -0.729 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001272460510 827802149 /nfs/dbraw/zinc/80/21/49/827802149.db2.gz BOWLGVSMTBICNN-VIFPVBQESA-N 1 0 290.323 -0.558 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001272462346 827802240 /nfs/dbraw/zinc/80/22/40/827802240.db2.gz WEEIJMBYYJZFED-LBPRGKRZSA-N 1 0 278.356 -0.048 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001272460578 827802264 /nfs/dbraw/zinc/80/22/64/827802264.db2.gz DJDAMYALDJAVHS-NSHDSACASA-N 1 0 263.297 -0.596 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc2ccccc2c1O ZINC001272460695 827803110 /nfs/dbraw/zinc/80/31/10/827803110.db2.gz GOFMBFCVLIVRJU-LLVKDONJSA-N 1 0 299.330 -0.158 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001272479852 827803758 /nfs/dbraw/zinc/80/37/58/827803758.db2.gz SPSQMTPFZJWMKU-QNWHQSFQSA-N 1 0 266.341 -0.499 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001272469658 827804326 /nfs/dbraw/zinc/80/43/26/827804326.db2.gz KKLBHWGHBGFVFC-GFCCVEGCSA-N 1 0 264.329 -0.338 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001272472083 827804813 /nfs/dbraw/zinc/80/48/13/827804813.db2.gz YKFNRQWMSSZDJD-NSHDSACASA-N 1 0 277.324 -0.911 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](NC(C)=O)C1CCCC1 ZINC001272469464 827804889 /nfs/dbraw/zinc/80/48/89/827804889.db2.gz IXECEWBDRZQZTQ-ZIAGYGMSSA-N 1 0 295.383 -0.619 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)cc1 ZINC001272486913 827805330 /nfs/dbraw/zinc/80/53/30/827805330.db2.gz BEJDAFKRQHJCRL-SMDDNHRTSA-N 1 0 276.336 -0.271 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001272487336 827805501 /nfs/dbraw/zinc/80/55/01/827805501.db2.gz DIGNOGJTKKPVCW-CHWSQXEVSA-N 1 0 294.355 -0.802 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](OC)C1CCC1 ZINC001272488098 827805570 /nfs/dbraw/zinc/80/55/70/827805570.db2.gz KCMQYKSGKNOKJK-NEPJUHHUSA-N 1 0 254.330 -0.499 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CCc1ccnc(C)n1 ZINC001272488311 827805662 /nfs/dbraw/zinc/80/56/62/827805662.db2.gz MKPGXXBIEFITGU-ZDUSSCGKSA-N 1 0 278.356 -0.030 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001272487872 827806432 /nfs/dbraw/zinc/80/64/32/827806432.db2.gz ICFCNHBVJZVDBE-VIFPVBQESA-N 1 0 268.317 -0.705 20 30 CBEDRO C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001272485827 827806442 /nfs/dbraw/zinc/80/64/42/827806442.db2.gz LOCZCTUMZUWOCC-OLZOCXBDSA-N 1 0 298.408 -0.118 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001272495626 827807725 /nfs/dbraw/zinc/80/77/25/827807725.db2.gz GIECEWWTAHSOOR-NSHDSACASA-N 1 0 266.345 -0.015 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001272497514 827807752 /nfs/dbraw/zinc/80/77/52/827807752.db2.gz YLMBIGGJXTXWRG-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001272497100 827808094 /nfs/dbraw/zinc/80/80/94/827808094.db2.gz TXNAQCNDLAJMIP-SRVKXCTJSA-N 1 0 254.330 -0.641 20 30 CBEDRO C#CCN1C[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508304 827809213 /nfs/dbraw/zinc/80/92/13/827809213.db2.gz NOHOTXKPMHCXHC-DZGCQCFKSA-N 1 0 278.352 -0.041 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)CCc1cc(C)on1 ZINC001272519844 827811467 /nfs/dbraw/zinc/81/14/67/827811467.db2.gz DUQDNGQVELKSSN-LBPRGKRZSA-N 1 0 265.313 -0.384 20 30 CBEDRO C=C1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001272513031 827811819 /nfs/dbraw/zinc/81/18/19/827811819.db2.gz NPJOKXRZQBTHGI-YPMHNXCESA-N 1 0 297.399 -0.066 20 30 CBEDRO COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001272529643 827816211 /nfs/dbraw/zinc/81/62/11/827816211.db2.gz MLHDXLWYLRJDQU-STQMWFEESA-N 1 0 280.368 -0.107 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1scnc1COC ZINC001272536847 827816751 /nfs/dbraw/zinc/81/67/51/827816751.db2.gz NFPIWTOZQPJDJU-JTQLQIEISA-N 1 0 297.380 -0.007 20 30 CBEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001272536769 827817558 /nfs/dbraw/zinc/81/75/58/827817558.db2.gz LCBKMVDJPPPLKN-KBPBESRZSA-N 1 0 295.383 -0.453 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)C[NH2+]CC#CC ZINC001272536771 827818075 /nfs/dbraw/zinc/81/80/75/827818075.db2.gz LCBKMVDJPPPLKN-UONOGXRCSA-N 1 0 295.383 -0.453 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(OC)n1 ZINC001272552676 827818504 /nfs/dbraw/zinc/81/85/04/827818504.db2.gz ISSVQNNYTQYALC-SNVBAGLBSA-N 1 0 263.297 -0.596 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C(N)=O)s1 ZINC001272545901 827818777 /nfs/dbraw/zinc/81/87/77/827818777.db2.gz PQKRNDLYVSMWKQ-VIFPVBQESA-N 1 0 295.364 -0.449 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]CC=C)cn1 ZINC001272559405 827819971 /nfs/dbraw/zinc/81/99/71/827819971.db2.gz HZRLPZQVPYKWAT-ZDUSSCGKSA-N 1 0 259.309 -0.071 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001272555258 827820026 /nfs/dbraw/zinc/82/00/26/827820026.db2.gz ZVMXDWSMMVETJR-SNVBAGLBSA-N 1 0 263.297 -0.135 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001272567733 827821874 /nfs/dbraw/zinc/82/18/74/827821874.db2.gz TVGGJXCMFKBTIB-SNVBAGLBSA-N 1 0 292.339 -0.693 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(=O)NC)n1 ZINC001272567728 827822067 /nfs/dbraw/zinc/82/20/67/827822067.db2.gz TVGGJXCMFKBTIB-JTQLQIEISA-N 1 0 292.339 -0.693 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001272560781 827822277 /nfs/dbraw/zinc/82/22/77/827822277.db2.gz TYZAKTRKOBHMNE-ZYHUDNBSSA-N 1 0 278.356 -0.233 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CNC(=O)C(C)(C)C ZINC001272576101 827824708 /nfs/dbraw/zinc/82/47/08/827824708.db2.gz VOAJHGKZFFLQLQ-NSHDSACASA-N 1 0 283.372 -0.761 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C(N)=O)cc1 ZINC001272573760 827824756 /nfs/dbraw/zinc/82/47/56/827824756.db2.gz ALKIIQQOWUOMLZ-GFCCVEGCSA-N 1 0 277.324 -0.348 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)N1CCCC1=O ZINC001272583146 827826669 /nfs/dbraw/zinc/82/66/69/827826669.db2.gz FYMPPBRBULRBNG-QWHCGFSZSA-N 1 0 295.383 -0.523 20 30 CBEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNCC#N ZINC001272585974 827826752 /nfs/dbraw/zinc/82/67/52/827826752.db2.gz ZAIKSUPQFLQNBJ-NWDGAFQWSA-N 1 0 268.361 -0.549 20 30 CBEDRO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CSCC#N ZINC001272657134 827828850 /nfs/dbraw/zinc/82/88/50/827828850.db2.gz IFOPORWYNGZZDR-BDAKNGLRSA-N 1 0 272.374 -0.399 20 30 CBEDRO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CSCC#N)C(N)=O ZINC001272657135 827829802 /nfs/dbraw/zinc/82/98/02/827829802.db2.gz IFOPORWYNGZZDR-DTWKUNHWSA-N 1 0 272.374 -0.399 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cccn1C ZINC001272658429 827831928 /nfs/dbraw/zinc/83/19/28/827831928.db2.gz VXEIZAKBMHLFCA-LBPRGKRZSA-N 1 0 290.367 -0.128 20 30 CBEDRO C#CCN1CC[C@@]2(CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC001272659721 827832029 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C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001272738348 827836932 /nfs/dbraw/zinc/83/69/32/827836932.db2.gz PQWHMDABMKHGMJ-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001272774867 827839119 /nfs/dbraw/zinc/83/91/19/827839119.db2.gz ZUMFEBNSVHSWGT-UWVGGRQHSA-N 1 0 254.334 -0.449 20 30 CBEDRO C#CCOCCC(=O)NC[C@H]1COCCN1C[C@@H](C)O ZINC001272858660 827846445 /nfs/dbraw/zinc/84/64/45/827846445.db2.gz CABJLFJAPUFGJT-OLZOCXBDSA-N 1 0 284.356 -0.776 20 30 CBEDRO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]1C#N)C2 ZINC001272886447 827847569 /nfs/dbraw/zinc/84/75/69/827847569.db2.gz MJBDAIOGIUWFTL-FVCCEPFGSA-N 1 0 290.367 -0.233 20 30 CBEDRO C#CCN1C[C@]2(CCN(Cc3cncn3C)C2)OCC1=O ZINC001272996042 827855629 /nfs/dbraw/zinc/85/56/29/827855629.db2.gz AKYVNJHAMPJZPL-OAHLLOKOSA-N 1 0 288.351 -0.143 20 30 CBEDRO C#CCN1C[C@@]2(CCN(CC[NH+](C)C)C2)OCC1=O ZINC001273108715 827865064 /nfs/dbraw/zinc/86/50/64/827865064.db2.gz XWDZPFPBCBTXQL-AWEZNQCLSA-N 1 0 265.357 -0.516 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001273091365 827865879 /nfs/dbraw/zinc/86/58/79/827865879.db2.gz TZSYTSFVXGWQJH-SECBINFHSA-N 1 0 262.313 -0.155 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001273111406 827867631 /nfs/dbraw/zinc/86/76/31/827867631.db2.gz CNFSQPRDPNQSON-LLVKDONJSA-N 1 0 279.344 -0.519 20 30 CBEDRO C#CCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001273154214 827870140 /nfs/dbraw/zinc/87/01/40/827870140.db2.gz LMWUYRHHWGBKTQ-MNOVXSKESA-N 1 0 263.341 -0.240 20 30 CBEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001273175559 827870507 /nfs/dbraw/zinc/87/05/07/827870507.db2.gz IJGVFFHNYFYZBN-NSHDSACASA-N 1 0 293.371 -0.180 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC)CCO1 ZINC001273218226 827875065 /nfs/dbraw/zinc/87/50/65/827875065.db2.gz SCDWPKANHZJELW-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001273251471 827878163 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C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)CCO1 ZINC001273277801 827883763 /nfs/dbraw/zinc/88/37/63/827883763.db2.gz YGDJSHLMPZYTOD-QWRGUYRKSA-N 1 0 290.385 -0.578 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H](C)C#N ZINC001273297843 827885926 /nfs/dbraw/zinc/88/59/26/827885926.db2.gz DEAHLYSCMFBVJJ-LLVKDONJSA-N 1 0 264.329 -0.666 20 30 CBEDRO CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H](C)C#N ZINC001273297820 827886277 /nfs/dbraw/zinc/88/62/77/827886277.db2.gz CILTWUUOSDWBDF-GFCCVEGCSA-N 1 0 296.371 -0.557 20 30 CBEDRO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H](C)C#N ZINC001273298125 827888069 /nfs/dbraw/zinc/88/80/69/827888069.db2.gz JCMOJQUHLIUOTF-QWRGUYRKSA-N 1 0 266.345 -0.137 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCNC(=O)C1 ZINC001273324046 827888999 /nfs/dbraw/zinc/88/89/99/827888999.db2.gz FOVCHERLZCMVCJ-LLVKDONJSA-N 1 0 251.330 -0.416 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCO1 ZINC001273323013 827889049 /nfs/dbraw/zinc/88/90/49/827889049.db2.gz LBNNKJPJTQKBKR-RYUDHWBXSA-N 1 0 281.356 -0.342 20 30 CBEDRO C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001273323009 827889232 /nfs/dbraw/zinc/88/92/32/827889232.db2.gz LBNNKJPJTQKBKR-NEPJUHHUSA-N 1 0 281.356 -0.342 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)CCO1 ZINC001273315098 827889568 /nfs/dbraw/zinc/88/95/68/827889568.db2.gz GTVPBOVHMMTMSG-WFASDCNBSA-N 1 0 293.367 -0.505 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@]2(F)CCOC2)CCO1 ZINC001273309384 827889958 /nfs/dbraw/zinc/88/99/58/827889958.db2.gz YCVVTIWBYXTEBA-GXTWGEPZSA-N 1 0 284.331 -0.045 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCNC(=O)C1 ZINC001273324508 827889962 /nfs/dbraw/zinc/88/99/62/827889962.db2.gz OVYHIINDEVPHKI-GFCCVEGCSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cn(CC)cn2)CCO1 ZINC001273341820 827890679 /nfs/dbraw/zinc/89/06/79/827890679.db2.gz FIZXEVVEJMPTCK-GFCCVEGCSA-N 1 0 276.340 -0.033 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001273332586 827891301 /nfs/dbraw/zinc/89/13/01/827891301.db2.gz RZWZZTNNUDTHQD-LLVKDONJSA-N 1 0 260.297 -0.460 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)CCc2cn(C)nn2)CCO1 ZINC001273365476 827895006 /nfs/dbraw/zinc/89/50/06/827895006.db2.gz IBHAYCHEAHLNTL-ZDUSSCGKSA-N 1 0 291.355 -0.802 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)C[C@H](C)NC(N)=O ZINC001273374618 827896672 /nfs/dbraw/zinc/89/66/72/827896672.db2.gz LEDNTWHXZQZJOV-LBPRGKRZSA-N 1 0 298.387 -0.479 20 30 CBEDRO C=C(C)C[NH2+]CCN(CC)C(=O)Cn1cnc(C(N)=O)n1 ZINC001273382277 827897220 /nfs/dbraw/zinc/89/72/20/827897220.db2.gz OOSNZASJFPEMNO-UHFFFAOYSA-N 1 0 294.359 -0.609 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)CN1CCOCC1=O ZINC001273428579 827900169 /nfs/dbraw/zinc/90/01/69/827900169.db2.gz VSJAEXZSTJSLMC-UHFFFAOYSA-N 1 0 269.345 -0.531 20 30 CBEDRO CC#CC[NH2+]CCN(CC)C(=O)[C@@H](C)S(C)(=O)=O ZINC001273459614 827900880 /nfs/dbraw/zinc/90/08/80/827900880.db2.gz VWJFNJAJAJSJGV-LLVKDONJSA-N 1 0 274.386 -0.119 20 30 CBEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)OC ZINC001273488282 827903671 /nfs/dbraw/zinc/90/36/71/827903671.db2.gz HAVFNHLLGNBCTD-QWHCGFSZSA-N 1 0 297.399 -0.061 20 30 CBEDRO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CCOC)C2 ZINC001273505617 827905192 /nfs/dbraw/zinc/90/51/92/827905192.db2.gz FCFJHFJWPZLWDM-CQSZACIVSA-N 1 0 266.341 -0.183 20 30 CBEDRO C#Cc1cncc(C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)c1 ZINC001273604319 827913998 /nfs/dbraw/zinc/91/39/98/827913998.db2.gz BMLKDKXJLGQMOY-LLVKDONJSA-N 1 0 288.351 -0.012 20 30 CBEDRO C#CCN1C(=O)COCC12CN(C[C@@H]1COC(C)(C)O1)C2 ZINC001273719230 827922238 /nfs/dbraw/zinc/92/22/38/827922238.db2.gz PGDUDWXCTWVOPS-GFCCVEGCSA-N 1 0 294.351 -0.316 20 30 CBEDRO N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1ccccn1 ZINC001273804681 827927064 /nfs/dbraw/zinc/92/70/64/827927064.db2.gz IRNFKRPQTYMKEH-ARJAWSKDSA-N 1 0 287.323 -0.403 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC(=O)NCC)C1 ZINC001273866311 827933581 /nfs/dbraw/zinc/93/35/81/827933581.db2.gz 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CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001332665935 887398239 /nfs/dbraw/zinc/39/82/39/887398239.db2.gz ZDZXGVWBYDDQQE-LLVKDONJSA-N 1 0 279.344 -0.797 20 30 CBEDRO C[C@@H](CC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333177090 887551538 /nfs/dbraw/zinc/55/15/38/887551538.db2.gz BMMLMRCDSZIZKE-URAGZPLESA-N 1 0 250.346 -0.021 20 30 CBEDRO C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCNC1=O ZINC001333230535 887567523 /nfs/dbraw/zinc/56/75/23/887567523.db2.gz BMGOVHUJLNCWKJ-ZDUSSCGKSA-N 1 0 295.383 -0.400 20 30 CBEDRO CN(CCC[NH3+])C(=O)CCNC(=O)C1N=CC=CC1=O ZINC001333632028 887727181 /nfs/dbraw/zinc/72/71/81/887727181.db2.gz ZTHHOPWYNBNJPL-SEYXRHQNSA-N 1 0 280.328 -0.290 20 30 CBEDRO C#CCCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001335187052 888436493 /nfs/dbraw/zinc/43/64/93/888436493.db2.gz ZBHLJCQNPQOWFY-LBPRGKRZSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCNC(=O)CC[NH2+]CCS(=O)(=O)C(F)(F)F ZINC001336704569 888849204 /nfs/dbraw/zinc/84/92/04/888849204.db2.gz VSRCDVJOIYZTTN-UHFFFAOYSA-N 1 0 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C=CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)COC ZINC001331221959 886735860 /nfs/dbraw/zinc/73/58/60/886735860.db2.gz ULBPYFVSHYDZKQ-UTUOFQBUSA-N 1 0 283.372 -0.111 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1ncn(C)n1 ZINC001331237081 886744003 /nfs/dbraw/zinc/74/40/03/886744003.db2.gz LZWCTNYKBVRHKS-UHFFFAOYSA-N 1 0 279.344 -0.436 20 30 CBEDRO C=CCNC(=O)C[NH2+]C1(C(=O)NC)CCOCC1 ZINC001331234767 886744735 /nfs/dbraw/zinc/74/47/35/886744735.db2.gz SDCUOTPZTKPYPP-UHFFFAOYSA-N 1 0 255.318 -0.827 20 30 CBEDRO C#CC[NH2+]CCCOCCNC(=O)c1c(C)nc[nH]c1=O ZINC001331238392 886744760 /nfs/dbraw/zinc/74/47/60/886744760.db2.gz ZKJPTOFZPCWCQK-UHFFFAOYSA-N 1 0 292.339 -0.150 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(C)=O ZINC001331240073 886745594 /nfs/dbraw/zinc/74/55/94/886745594.db2.gz IEGSMOCJXVOLNA-GFCCVEGCSA-N 1 0 251.330 -0.418 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 ZINC001331257460 886754316 /nfs/dbraw/zinc/75/43/16/886754316.db2.gz VOERDBGPLILMDA-LBPRGKRZSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1ncnn1 ZINC001331284599 886763546 /nfs/dbraw/zinc/76/35/46/886763546.db2.gz UAITYKWZDAUXKX-GFCCVEGCSA-N 1 0 276.344 -0.477 20 30 CBEDRO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001331308696 886770213 /nfs/dbraw/zinc/77/02/13/886770213.db2.gz JJIUMKWHOQFECK-CHWSQXEVSA-N 1 0 292.383 -0.140 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001331310275 886771717 /nfs/dbraw/zinc/77/17/17/886771717.db2.gz DOCHBXVLPCAUGC-UPJWGTAASA-N 1 0 291.351 -0.991 20 30 CBEDRO C#CCC[NH2+][C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001331378895 886787400 /nfs/dbraw/zinc/78/74/00/886787400.db2.gz YGLDZGOVUDBGGX-JTQLQIEISA-N 1 0 250.306 -0.867 20 30 CBEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001331470526 886814092 /nfs/dbraw/zinc/81/40/92/886814092.db2.gz PNXVEDGJFNPVEF-MNOVXSKESA-N 1 0 296.371 -0.013 20 30 CBEDRO C#CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(=O)NC(C)C ZINC001331492407 886821913 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C#CCCCCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001331604483 886861365 /nfs/dbraw/zinc/86/13/65/886861365.db2.gz RPLCZQZGJQBLPV-WDEREUQCSA-N 1 0 251.330 -0.146 20 30 CBEDRO C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)[NH2+]CC(=O)NCC#N ZINC001331645604 886880749 /nfs/dbraw/zinc/88/07/49/886880749.db2.gz YGGVMQFRVJWKIA-NSHDSACASA-N 1 0 291.355 -0.367 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1c(C)noc1C ZINC001331666228 886893242 /nfs/dbraw/zinc/89/32/42/886893242.db2.gz MWKVBMBNJMQZBK-LLVKDONJSA-N 1 0 265.313 -0.005 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C2CC2)C1=O ZINC001331666232 886893529 /nfs/dbraw/zinc/89/35/29/886893529.db2.gz QVEISMVOOGWHCS-VXGBXAGGSA-N 1 0 281.356 -0.750 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(F)F ZINC001331667800 886895602 /nfs/dbraw/zinc/89/56/02/886895602.db2.gz VHLJKVQAXWEMRX-RKDXNWHRSA-N 1 0 293.314 -0.601 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCn1cncn1 ZINC001331686200 886908266 /nfs/dbraw/zinc/90/82/66/886908266.db2.gz VPIPVFZMHZDRDQ-LLVKDONJSA-N 1 0 267.333 -0.689 20 30 CBEDRO C=CCCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001331686675 886908277 /nfs/dbraw/zinc/90/82/77/886908277.db2.gz XSVXLJAKLBGANR-NWDGAFQWSA-N 1 0 293.371 -0.202 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)c1cnc(C)[nH]1 ZINC001331685966 886909447 /nfs/dbraw/zinc/90/94/47/886909447.db2.gz UCSZAWKGHHMSIT-NSHDSACASA-N 1 0 280.328 -0.952 20 30 CBEDRO CNC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001447543805 913093235 /nfs/dbraw/zinc/09/32/35/913093235.db2.gz NBARFMBWSWNITR-SKDRFNHKSA-N 1 0 289.339 -0.318 20 30 CBEDRO N#CCCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331692492 886911131 /nfs/dbraw/zinc/91/11/31/886911131.db2.gz WABXPKYANWSMEM-VIFPVBQESA-N 1 0 288.298 -0.233 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001331699235 886916225 /nfs/dbraw/zinc/91/62/25/886916225.db2.gz ZLHNRWCTVIRHSW-WDEREUQCSA-N 1 0 268.313 -0.970 20 30 CBEDRO N#Cc1ccc(CC(=O)N2CCO[C@@H](C[NH3+])C2)cn1 ZINC001331708879 886923492 /nfs/dbraw/zinc/92/34/92/886923492.db2.gz YNEXLYTYWAKXFD-LBPRGKRZSA-N 1 0 260.297 -0.318 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001331708803 886923815 /nfs/dbraw/zinc/92/38/15/886923815.db2.gz UDLRWQQVVXKDPH-CYBMUJFWSA-N 1 0 295.383 -0.665 20 30 CBEDRO CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)C#CC2CC2)C1=O ZINC001331710880 886927343 /nfs/dbraw/zinc/92/73/43/886927343.db2.gz CYIAUPSSYSLEFX-QWHCGFSZSA-N 1 0 293.367 -0.913 20 30 CBEDRO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001331712355 886929009 /nfs/dbraw/zinc/92/90/09/886929009.db2.gz NYILFKLHTSCCAM-KBPBESRZSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)Cc1ccn(C)n1 ZINC001331713305 886930422 /nfs/dbraw/zinc/93/04/22/886930422.db2.gz ZBGYLTRVQWMFJB-LBPRGKRZSA-N 1 0 266.345 -0.395 20 30 CBEDRO COCC#CC[NH2+][C@@H](CO)CNC(=O)c1cc[nH]c1 ZINC001331723342 886935183 /nfs/dbraw/zinc/93/51/83/886935183.db2.gz BTZRZLDQIVMIOP-GFCCVEGCSA-N 1 0 265.313 -0.655 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001331724253 886936254 /nfs/dbraw/zinc/93/62/54/886936254.db2.gz DFWFOGHEMNRTLY-JTQLQIEISA-N 1 0 262.313 -0.857 20 30 CBEDRO N#CC1(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC001331723801 886936913 /nfs/dbraw/zinc/93/69/13/886936913.db2.gz YZHPOQGUDIEHIV-LLVKDONJSA-N 1 0 267.329 -0.510 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnc2n1CCC2 ZINC001331724303 886937042 /nfs/dbraw/zinc/93/70/42/886937042.db2.gz FBRCNIBNNAHSLR-LLVKDONJSA-N 1 0 276.340 -0.467 20 30 CBEDRO N#CCN[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001331725411 886938667 /nfs/dbraw/zinc/93/86/67/886938667.db2.gz NTESNIGERVIZIR-GXTWGEPZSA-N 1 0 294.399 -0.016 20 30 CBEDRO NC(=O)C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC001331725214 886940482 /nfs/dbraw/zinc/94/04/82/886940482.db2.gz LPKDVICJVAPLMS-LBPRGKRZSA-N 1 0 279.340 -0.908 20 30 CBEDRO C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001331737456 886945707 /nfs/dbraw/zinc/94/57/07/886945707.db2.gz 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C=CC[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC001331781040 886978247 /nfs/dbraw/zinc/97/82/47/886978247.db2.gz SXFTYWALRJIAPY-XQQFMLRXSA-N 1 0 295.383 -0.014 20 30 CBEDRO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001331786972 886980965 /nfs/dbraw/zinc/98/09/65/886980965.db2.gz FLLWHGMXHZUFGF-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001331788782 886982145 /nfs/dbraw/zinc/98/21/45/886982145.db2.gz ABVCQTXJGQHOJA-MXWKQRLJSA-N 1 0 260.309 -0.386 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(Cl)[nH]1 ZINC001331788076 886982666 /nfs/dbraw/zinc/98/26/66/886982666.db2.gz PCLYUYYVYCNOQY-QMMMGPOBSA-N 1 0 255.705 -0.018 20 30 CBEDRO CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001331804207 886989116 /nfs/dbraw/zinc/98/91/16/886989116.db2.gz HRMRPSVZGMGKEJ-TZMCWYRMSA-N 1 0 292.383 -0.311 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCCOC)nc1 ZINC001331824453 887002578 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C[NH2+]Cc1cn([C@H](C)C(=O)N(C)CCC#N)nn1 ZINC001331873081 887020900 /nfs/dbraw/zinc/02/09/00/887020900.db2.gz HOXOPNOSPJWSGU-SECBINFHSA-N 1 0 250.306 -0.069 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)[C@@H]1C ZINC001331937049 887052909 /nfs/dbraw/zinc/05/29/09/887052909.db2.gz FHZGAEWTZOCGEB-VXGBXAGGSA-N 1 0 288.351 -0.004 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001331938441 887054609 /nfs/dbraw/zinc/05/46/09/887054609.db2.gz KAXHYIMXDGHAAY-WDEREUQCSA-N 1 0 266.345 -0.353 20 30 CBEDRO CC#CC[NH2+][C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001331938437 887055056 /nfs/dbraw/zinc/05/50/56/887055056.db2.gz KAXHYIMXDGHAAY-GHMZBOCLSA-N 1 0 266.345 -0.353 20 30 CBEDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)c1ccon1 ZINC001331959108 887063442 /nfs/dbraw/zinc/06/34/42/887063442.db2.gz OQMQSPNHQFTTGT-UWVGGRQHSA-N 1 0 291.311 -0.493 20 30 CBEDRO CCNC(=O)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001331976068 887072489 /nfs/dbraw/zinc/07/24/89/887072489.db2.gz IWUPCQIHVGMRLS-OLZOCXBDSA-N 1 0 295.383 -0.259 20 30 CBEDRO N#C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC001331982029 887074141 /nfs/dbraw/zinc/07/41/41/887074141.db2.gz VAXOABASYMQUEJ-YNEHKIRRSA-N 1 0 290.367 -0.041 20 30 CBEDRO COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332030383 887089087 /nfs/dbraw/zinc/08/90/87/887089087.db2.gz IDMSXOGYFMQGND-GHMZBOCLSA-N 1 0 277.328 -0.353 20 30 CBEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001332208010 887152252 /nfs/dbraw/zinc/15/22/52/887152252.db2.gz OINGXMNSXUZCMO-WXHSDQCUSA-N 1 0 267.329 -0.681 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CNC(=O)NC)C1 ZINC001332270960 887177670 /nfs/dbraw/zinc/17/76/70/887177670.db2.gz FVWKFGMASOVGFU-NEPJUHHUSA-N 1 0 280.372 -0.187 20 30 CBEDRO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001332281258 887183940 /nfs/dbraw/zinc/18/39/40/887183940.db2.gz MHJFZBHAATUDNP-UWVGGRQHSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(=O)NCC(F)F)C1 ZINC001332281344 887184625 /nfs/dbraw/zinc/18/46/25/887184625.db2.gz MHJFZBHAATUDNP-ZJUUUORDSA-N 1 0 287.310 -0.125 20 30 CBEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001332288694 887187750 /nfs/dbraw/zinc/18/77/50/887187750.db2.gz UXFQVBGQQBNZNT-STQMWFEESA-N 1 0 271.357 -0.093 20 30 CBEDRO C#C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001332461901 887296188 /nfs/dbraw/zinc/29/61/88/887296188.db2.gz JIULBOKGLGGOMX-JHJVBQTASA-N 1 0 293.367 -0.710 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)OC ZINC001332490984 887317791 /nfs/dbraw/zinc/31/77/91/887317791.db2.gz PJSBLFPSSFKTLQ-VXGBXAGGSA-N 1 0 256.346 -0.156 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)OC ZINC001332490981 887317961 /nfs/dbraw/zinc/31/79/61/887317961.db2.gz PJSBLFPSSFKTLQ-NEPJUHHUSA-N 1 0 256.346 -0.156 20 30 CBEDRO C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001332503040 887325836 /nfs/dbraw/zinc/32/58/36/887325836.db2.gz DZGFJSOUTPBKQD-LLVKDONJSA-N 1 0 282.348 -0.952 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001332504142 887326050 /nfs/dbraw/zinc/32/60/50/887326050.db2.gz OFPRVCQGONPCPW-GFCCVEGCSA-N 1 0 294.355 -0.610 20 30 CBEDRO COCC[NH2+]C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001332504355 887327211 /nfs/dbraw/zinc/32/72/11/887327211.db2.gz PTTUJYXQELDBNR-LBPRGKRZSA-N 1 0 256.346 -0.299 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC001332517198 887331784 /nfs/dbraw/zinc/33/17/84/887331784.db2.gz KTTFRIMGXCWYEP-TZMCWYRMSA-N 1 0 292.383 -0.130 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC=C ZINC001332522653 887334773 /nfs/dbraw/zinc/33/47/73/887334773.db2.gz OPESXXWHWTWZFH-KBPBESRZSA-N 1 0 279.384 -0.321 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001332520619 887336354 /nfs/dbraw/zinc/33/63/54/887336354.db2.gz CCBMPSDRRFYHQU-ZDUSSCGKSA-N 1 0 295.383 -0.713 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001332520302 887337570 /nfs/dbraw/zinc/33/75/70/887337570.db2.gz AFXFOAJDJTXIAB-NSHDSACASA-N 1 0 266.345 -0.063 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001332530633 887343127 /nfs/dbraw/zinc/34/31/27/887343127.db2.gz WAYXZFFZALDDEX-SECBINFHSA-N 1 0 266.301 -0.921 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(=O)c(OC)co1 ZINC001332547434 887349331 /nfs/dbraw/zinc/34/93/31/887349331.db2.gz PDGIQKCELFZIFQ-JTQLQIEISA-N 1 0 294.307 -0.696 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001332562394 887354150 /nfs/dbraw/zinc/35/41/50/887354150.db2.gz VGBUSSLSEBWSDR-ZDUSSCGKSA-N 1 0 291.351 -0.238 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001332562983 887358278 /nfs/dbraw/zinc/35/82/78/887358278.db2.gz XUAPZAIGTCSELB-GHMZBOCLSA-N 1 0 269.345 -0.798 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001332567912 887359590 /nfs/dbraw/zinc/35/95/90/887359590.db2.gz WRCRATUQXBMIIU-LBPRGKRZSA-N 1 0 293.367 -0.016 20 30 CBEDRO 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C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001367575423 895674987 /nfs/dbraw/zinc/67/49/87/895674987.db2.gz QGMJIMGJTJKMOX-JTQLQIEISA-N 1 0 277.752 -0.716 20 30 CBEDRO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001367665885 895734333 /nfs/dbraw/zinc/73/43/33/895734333.db2.gz KHNKYMYDGJTVBS-SECBINFHSA-N 1 0 277.328 -0.270 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001367664937 895734628 /nfs/dbraw/zinc/73/46/28/895734628.db2.gz QTDSSDZZNCXJNX-ZJUUUORDSA-N 1 0 289.763 -0.526 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001367664935 895736407 /nfs/dbraw/zinc/73/64/07/895736407.db2.gz QTDSSDZZNCXJNX-VHSXEESVSA-N 1 0 289.763 -0.526 20 30 CBEDRO N#Cc1cc(C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)c[nH]1 ZINC001368001004 895887936 /nfs/dbraw/zinc/88/79/36/895887936.db2.gz VGFUQFNSAFIKSP-NSHDSACASA-N 1 0 287.323 -0.373 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368528517 896031903 /nfs/dbraw/zinc/03/19/03/896031903.db2.gz 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291.779 -0.864 20 30 CBEDRO CCc1nocc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C#N ZINC001374589845 897286453 /nfs/dbraw/zinc/28/64/53/897286453.db2.gz JHCMAPJRNSAWGK-MWLCHTKSSA-N 1 0 280.328 -0.037 20 30 CBEDRO CC[C@H](C[NH2+]C[C@@H](O)CNC(=O)c1cc(C#N)c[nH]1)OC ZINC001374591980 897292117 /nfs/dbraw/zinc/29/21/17/897292117.db2.gz DFETVCJDSWTGTP-VXGBXAGGSA-N 1 0 294.355 -0.008 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001374616598 897311047 /nfs/dbraw/zinc/31/10/47/897311047.db2.gz RGSNOBANUGILCZ-ZJUUUORDSA-N 1 0 289.763 -0.668 20 30 CBEDRO C[C@@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001374752111 897376994 /nfs/dbraw/zinc/37/69/94/897376994.db2.gz UZYGOGKIGSFLEG-GXFFZTMASA-N 1 0 290.367 -0.185 20 30 CBEDRO C[C@@H]([NH2+]C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC1)C(N)=O ZINC001375210205 897494502 /nfs/dbraw/zinc/49/45/02/897494502.db2.gz AGPVCQNLLCJXLR-PELKAZGASA-N 1 0 289.339 -0.142 20 30 CBEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001375406500 897540694 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C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1)C(N)=O ZINC001376933832 897895232 /nfs/dbraw/zinc/89/52/32/897895232.db2.gz IMDYMPPNKCMWIF-UWVGGRQHSA-N 1 0 289.339 -0.188 20 30 CBEDRO CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1ccc(C#N)[nH]1 ZINC001377588250 898098797 /nfs/dbraw/zinc/09/87/97/898098797.db2.gz MLVYMWDXCFWDCO-LLVKDONJSA-N 1 0 289.339 -0.221 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC(N)=O ZINC001377938485 898173907 /nfs/dbraw/zinc/17/39/07/898173907.db2.gz BIUMXHRINIKHOS-VIFPVBQESA-N 1 0 297.359 -0.585 20 30 CBEDRO C[NH+](C)CC#CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001454642921 914238772 /nfs/dbraw/zinc/23/87/72/914238772.db2.gz UXXXUJOTWPKCEJ-UHFFFAOYSA-N 1 0 251.246 -0.387 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001378496862 898335875 /nfs/dbraw/zinc/33/58/75/898335875.db2.gz JCUYYKXAAFPHRI-GFCCVEGCSA-N 1 0 289.339 -0.173 20 30 CBEDRO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)cn1 ZINC001379189902 898498612 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C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]CC(=O)N(C)C)CC1 ZINC001381148195 899005157 /nfs/dbraw/zinc/00/51/57/899005157.db2.gz YWIFJRFZCWLIAX-LLVKDONJSA-N 1 0 296.371 -0.823 20 30 CBEDRO COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001381508848 899065809 /nfs/dbraw/zinc/06/58/09/899065809.db2.gz OGSUJUMFCOLFRF-PWSUYJOCSA-N 1 0 294.355 -0.056 20 30 CBEDRO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001382298759 899240791 /nfs/dbraw/zinc/24/07/91/899240791.db2.gz FJSLOOMKAWKOTF-MWLCHTKSSA-N 1 0 289.339 -0.175 20 30 CBEDRO C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001389231980 899975443 /nfs/dbraw/zinc/97/54/43/899975443.db2.gz ZUEPXUZGBVAFNW-WDEREUQCSA-N 1 0 278.356 -0.137 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001389407327 900009626 /nfs/dbraw/zinc/00/96/26/900009626.db2.gz KRYXWZDOGNZISC-SNVBAGLBSA-N 1 0 278.356 -0.185 20 30 CBEDRO C[C@H]([NH2+][C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1)C(N)=O ZINC001389593980 900046345 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CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001392368808 900591271 /nfs/dbraw/zinc/59/12/71/900591271.db2.gz TZRKFPAZHVDIQT-SKDRFNHKSA-N 1 0 280.328 -0.398 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)NC(N)=O ZINC001392377064 900593456 /nfs/dbraw/zinc/59/34/56/900593456.db2.gz QEQQXKVMNBWUDF-DTWKUNHWSA-N 1 0 292.767 -0.748 20 30 CBEDRO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)c1c[nH]c(C#N)c1 ZINC001392557254 900662276 /nfs/dbraw/zinc/66/22/76/900662276.db2.gz QDQQBKXDFPCWTP-CABZTGNLSA-N 1 0 289.339 -0.127 20 30 CBEDRO CN(CC(N)=O)C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001393865556 900921166 /nfs/dbraw/zinc/92/11/66/900921166.db2.gz BCQPUMMMHPXVRY-LLVKDONJSA-N 1 0 289.339 -0.092 20 30 CBEDRO C[C@@H](C#N)C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001394093046 900968334 /nfs/dbraw/zinc/96/83/34/900968334.db2.gz POWWCOXOTJPKKH-NSHDSACASA-N 1 0 290.367 -0.089 20 30 CBEDRO CCN(CC)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C#N ZINC001394729854 901129493 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COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001482319309 917126442 /nfs/dbraw/zinc/12/64/42/917126442.db2.gz ZYFOILZWYRZJNV-RYUDHWBXSA-N 1 0 283.372 -0.416 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001482361953 917134780 /nfs/dbraw/zinc/13/47/80/917134780.db2.gz SFHFPOPMRDASEQ-LLVKDONJSA-N 1 0 294.355 -0.660 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1nnc[nH]1 ZINC001482352002 917136473 /nfs/dbraw/zinc/13/64/73/917136473.db2.gz IVARCTWPGSVLED-JTQLQIEISA-N 1 0 294.359 -0.914 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1ncc[nH]1 ZINC001482350352 917136925 /nfs/dbraw/zinc/13/69/25/917136925.db2.gz ZFNSEFSLYRVQHE-JTQLQIEISA-N 1 0 292.343 -0.972 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cnnn1 ZINC001482480104 917149974 /nfs/dbraw/zinc/14/99/74/917149974.db2.gz FQTJAGRLXCJDOP-QWHCGFSZSA-N 1 0 290.371 -0.087 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C(C)C ZINC001482549038 917158751 /nfs/dbraw/zinc/15/87/51/917158751.db2.gz 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COCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C#N)[nH]1 ZINC001482723429 917228463 /nfs/dbraw/zinc/22/84/63/917228463.db2.gz SSGSROFCFICFHC-JTQLQIEISA-N 1 0 266.301 -0.787 20 30 CBEDRO O=C(C#CC1CC1)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001482729122 917240182 /nfs/dbraw/zinc/24/01/82/917240182.db2.gz PHZAHAOLHFJLML-CQSZACIVSA-N 1 0 280.368 -0.107 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001482735718 917241658 /nfs/dbraw/zinc/24/16/58/917241658.db2.gz NLGMYXDPMFAZBF-SECBINFHSA-N 1 0 290.327 -0.391 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001482736924 917241807 /nfs/dbraw/zinc/24/18/07/917241807.db2.gz BQAJVLFWEXQEJA-JTQLQIEISA-N 1 0 280.328 -0.468 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cn(C)nc1C(F)F ZINC001482737152 917244369 /nfs/dbraw/zinc/24/43/69/917244369.db2.gz GNCFWVBLYCXJRV-MRVPVSSYSA-N 1 0 286.282 -0.329 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(N(C)C)nc1 ZINC001482744755 917246080 /nfs/dbraw/zinc/24/60/80/917246080.db2.gz BTVYPPNKPZKTMY-ZDUSSCGKSA-N 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C#Cc1ccc(C(=O)N(CC)CC[NH2+]CC(N)=O)cn1 ZINC001482964160 917351842 /nfs/dbraw/zinc/35/18/42/917351842.db2.gz YMFQZRKQOYHWQF-UHFFFAOYSA-N 1 0 274.324 -0.400 20 30 CBEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)Cn1cnnn1 ZINC001482983382 917354092 /nfs/dbraw/zinc/35/40/92/917354092.db2.gz YTOUEYZDTYRROW-ARJAWSKDSA-N 1 0 264.333 -0.099 20 30 CBEDRO N#CCSCC(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001482980012 917354474 /nfs/dbraw/zinc/35/44/74/917354474.db2.gz HFWBNIIXVYLZIW-UPHRSURJSA-N 1 0 296.396 -0.263 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)CNC(=O)C1CC1 ZINC001482984838 917356261 /nfs/dbraw/zinc/35/62/61/917356261.db2.gz HXYUORCUVHCANB-NSCUHMNNSA-N 1 0 293.367 -0.576 20 30 CBEDRO C=CCOCC(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O ZINC001482988870 917361711 /nfs/dbraw/zinc/36/17/11/917361711.db2.gz QWVMJRPYZABQBJ-QMAVJUDZSA-N 1 0 281.356 -0.318 20 30 CBEDRO CC1CC(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)C1 ZINC001482998408 917365566 /nfs/dbraw/zinc/36/55/66/917365566.db2.gz QKJWMOWXQVUIJQ-IHWYPQMZSA-N 1 0 278.356 -0.066 20 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251.330 -0.039 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@@]1(C)CCNC1=O ZINC001483058924 917398022 /nfs/dbraw/zinc/39/80/22/917398022.db2.gz MSFFGMTVOSFRPN-NHZBNJEXSA-N 1 0 293.367 -0.576 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)C(=O)NCC1CC1 ZINC001483076760 917401469 /nfs/dbraw/zinc/40/14/69/917401469.db2.gz NTELLXUNYAAXII-SNAWJCMRSA-N 1 0 263.341 -0.202 20 30 CBEDRO CC#CC[NH2+]C/C=C\CNC(=O)c1ccc(=O)n(C)n1 ZINC001483090664 917403882 /nfs/dbraw/zinc/40/38/82/917403882.db2.gz AFKZFESRPOWLGC-WAYWQWQTSA-N 1 0 274.324 -0.321 20 30 CBEDRO CC#CC[NH2+]C/C=C/CNC(=O)CS(=O)(=O)N(C)C ZINC001483087369 917404071 /nfs/dbraw/zinc/40/40/71/917404071.db2.gz LXZJSGVRICKQPP-VOTSOKGWSA-N 1 0 287.385 -0.837 20 30 CBEDRO C#Cc1ccc(C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O)cn1 ZINC001483088089 917405532 /nfs/dbraw/zinc/40/55/32/917405532.db2.gz UERBEYRSLPFHKR-DOGVGXBMSA-N 1 0 286.335 -0.188 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CCCO1 ZINC001483111194 917411970 /nfs/dbraw/zinc/41/19/70/917411970.db2.gz 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COc1ccc(C#N)cc1C[NH2+]C[C@@H](C)NC(=O)C(N)=O ZINC001483163147 917444813 /nfs/dbraw/zinc/44/48/13/917444813.db2.gz AGXBGVNZMJEXFG-SECBINFHSA-N 1 0 290.323 -0.354 20 30 CBEDRO C=CCOCC[NH2+]C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001483162037 917445113 /nfs/dbraw/zinc/44/51/13/917445113.db2.gz ZKIJGONBYHGZAY-SNVBAGLBSA-N 1 0 280.328 -0.320 20 30 CBEDRO CC[C@@H]1C[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001483167822 917449885 /nfs/dbraw/zinc/44/98/85/917449885.db2.gz BGNJDCJXDZSRMW-GMTAPVOTSA-N 1 0 266.345 -0.233 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001483176358 917451344 /nfs/dbraw/zinc/45/13/44/917451344.db2.gz VJPVHRIBFQZROU-SECBINFHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001483176316 917454647 /nfs/dbraw/zinc/45/46/47/917454647.db2.gz KOOZAYYKURVLCE-SNVBAGLBSA-N 1 0 280.328 -0.793 20 30 CBEDRO CCc1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)no1 ZINC001483186068 917457874 /nfs/dbraw/zinc/45/78/74/917457874.db2.gz 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917873614 /nfs/dbraw/zinc/87/36/14/917873614.db2.gz MURYQDBWBPTYRP-UHFFFAOYSA-N 1 0 277.324 -0.253 20 30 CBEDRO C=CCC[NH2+]CCN(CCO)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001484491497 917874951 /nfs/dbraw/zinc/87/49/51/917874951.db2.gz RUIRMQOANJSKNE-HNNXBMFYSA-N 1 0 297.399 -0.111 20 30 CBEDRO C=CC[NH2+]CC[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001484531611 917882492 /nfs/dbraw/zinc/88/24/92/917882492.db2.gz HXELFJMADWUUIT-JTQLQIEISA-N 1 0 264.333 -0.162 20 30 CBEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484513128 917883082 /nfs/dbraw/zinc/88/30/82/917883082.db2.gz MBGOSFWLVHWLGX-NWDGAFQWSA-N 1 0 291.355 -0.386 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001484620688 917901200 /nfs/dbraw/zinc/90/12/00/917901200.db2.gz ORWJCXQPJXGUMM-VXGBXAGGSA-N 1 0 291.351 -0.357 20 30 CBEDRO C=CC[NH2+]C1(CNC(=O)Cn2ncn(C)c2=O)CCC1 ZINC001484640690 917905353 /nfs/dbraw/zinc/90/53/53/917905353.db2.gz NEGZHOMISDXKMB-UHFFFAOYSA-N 1 0 279.344 -0.604 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 ZINC001484641319 917907661 /nfs/dbraw/zinc/90/76/61/917907661.db2.gz URUIXPFKWGLYTH-LLVKDONJSA-N 1 0 263.341 -0.226 20 30 CBEDRO C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 ZINC001484653689 917908568 /nfs/dbraw/zinc/90/85/68/917908568.db2.gz VHIODSPWDXKVRL-WDEREUQCSA-N 1 0 279.340 -0.719 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)F)CCO1 ZINC001484666281 917910365 /nfs/dbraw/zinc/91/03/65/917910365.db2.gz ZMUGRIVOCCDCJS-LLVKDONJSA-N 1 0 299.346 -0.699 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001484666160 917911132 /nfs/dbraw/zinc/91/11/32/917911132.db2.gz XMWCQWQEVGRELZ-GFCCVEGCSA-N 1 0 294.355 -0.757 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)COC)CCO1 ZINC001484667119 917911190 /nfs/dbraw/zinc/91/11/90/917911190.db2.gz JBFPOLWHKOPBRE-RYUDHWBXSA-N 1 0 299.371 -0.860 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)CCO1 ZINC001484667722 917912426 /nfs/dbraw/zinc/91/24/26/917912426.db2.gz PAHQFWUCLOYJNJ-WCQYABFASA-N 1 0 281.356 -0.649 20 30 CBEDRO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001484671970 917914443 /nfs/dbraw/zinc/91/44/43/917914443.db2.gz UQJAVNHIOZZXSQ-MNOVXSKESA-N 1 0 255.318 -0.655 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 ZINC001484672228 917916130 /nfs/dbraw/zinc/91/61/30/917916130.db2.gz XXDNDGBAUQYPTN-QWHCGFSZSA-N 1 0 282.340 -0.758 20 30 CBEDRO C#CC[NH2+]C[C@H]1CN(C(=O)Cc2cnn(C)c2)CCO1 ZINC001484670429 917916854 /nfs/dbraw/zinc/91/68/54/917916854.db2.gz DCEHIPHTDQSZJM-ZDUSSCGKSA-N 1 0 276.340 -0.587 20 30 CBEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)n2cncn2)CCO1 ZINC001484674148 917917766 /nfs/dbraw/zinc/91/77/66/917917766.db2.gz OXIDFICZJRONSH-QWHCGFSZSA-N 1 0 291.355 -0.321 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001484675151 917919792 /nfs/dbraw/zinc/91/97/92/917919792.db2.gz VVEKAUCRZIMVJM-CHWSQXEVSA-N 1 0 294.351 -0.220 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001484678507 917921717 /nfs/dbraw/zinc/92/17/17/917921717.db2.gz ZNJPFRVWCKIBOK-STQMWFEESA-N 1 0 284.356 -0.512 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CN(C(=O)CO[C@@H]2CCOC2)CCO1 ZINC001484677457 917922016 /nfs/dbraw/zinc/92/20/16/917922016.db2.gz MIYBFBIAXCYHDB-KGLIPLIRSA-N 1 0 296.367 -0.368 20 30 CBEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)c2nnn(C)c2C)CCO1 ZINC001484676408 917922676 /nfs/dbraw/zinc/92/26/76/917922676.db2.gz XCJYUMYKIVIKHF-LLVKDONJSA-N 1 0 279.344 -0.260 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(OC)nn2)CCO1 ZINC001484693185 917925284 /nfs/dbraw/zinc/92/52/84/917925284.db2.gz DFMLAOBJHXINKK-LLVKDONJSA-N 1 0 290.323 -0.451 20 30 CBEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)OC)C1 ZINC001484835174 917942333 /nfs/dbraw/zinc/94/23/33/917942333.db2.gz DKLWQTFZZPGOLA-JSGCOSHPSA-N 1 0 268.357 -0.012 20 30 CBEDRO C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)COC)C1 ZINC001484828988 917942382 /nfs/dbraw/zinc/94/23/82/917942382.db2.gz GONNOZMLICBELA-CQSZACIVSA-N 1 0 286.372 -0.222 20 30 CBEDRO CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001484837642 917943158 /nfs/dbraw/zinc/94/31/58/917943158.db2.gz UGVPGXXWGSWFOM-IUODEOHRSA-N 1 0 293.367 -0.769 20 30 CBEDRO CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)OC)C1 ZINC001484835176 917945161 /nfs/dbraw/zinc/94/51/61/917945161.db2.gz DKLWQTFZZPGOLA-OCCSQVGLSA-N 1 0 268.357 -0.012 20 30 CBEDRO C=CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cncn2)C1 ZINC001484853620 917945894 /nfs/dbraw/zinc/94/58/94/917945894.db2.gz QGXHOZFZJQKJAI-CYBMUJFWSA-N 1 0 279.344 -0.593 20 30 CBEDRO C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001484850190 917946003 /nfs/dbraw/zinc/94/60/03/917946003.db2.gz VOGYEEISBJINKF-KBPBESRZSA-N 1 0 284.331 -0.309 20 30 CBEDRO C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001484849443 917946359 /nfs/dbraw/zinc/94/63/59/917946359.db2.gz QZYSJWCDFWRIAL-WFASDCNBSA-N 1 0 295.383 -0.406 20 30 CBEDRO C=CCCCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001484847449 917947570 /nfs/dbraw/zinc/94/75/70/917947570.db2.gz OZFWKDWMUUQSFF-CQSZACIVSA-N 1 0 283.372 -0.229 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC1(NC(=O)C(C)C)CCOCC1 ZINC001484858452 917949684 /nfs/dbraw/zinc/94/96/84/917949684.db2.gz CIMYKWPXOWGFKB-UHFFFAOYSA-N 1 0 295.383 -0.353 20 30 CBEDRO C=CC[NH2+]CC1(NC(=O)CN2CCOCC2)CCOCC1 ZINC001484863295 917950989 /nfs/dbraw/zinc/95/09/89/917950989.db2.gz JXUOWXPAXNSLIN-UHFFFAOYSA-N 1 0 297.399 -0.240 20 30 CBEDRO C#CC[NH2+]CC1(NC(=O)Cc2nonc2C)CCOCC1 ZINC001484870976 917953630 /nfs/dbraw/zinc/95/36/30/917953630.db2.gz LNTBUPGHVUBOQR-UHFFFAOYSA-N 1 0 292.339 -0.191 20 30 CBEDRO C#CCC[NH2+]CC1(NC(=O)CCNC(N)=O)CCOCC1 ZINC001484872125 917954905 /nfs/dbraw/zinc/95/49/05/917954905.db2.gz SUFZZJQJDUXOSR-UHFFFAOYSA-N 1 0 296.371 -0.677 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC001484876275 917955686 /nfs/dbraw/zinc/95/56/86/917955686.db2.gz CRENJQPLGCJAAZ-JHJVBQTASA-N 1 0 295.383 -0.260 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001484882452 917957518 /nfs/dbraw/zinc/95/75/18/917957518.db2.gz ZRWAKKWJVWBAJT-PWSUYJOCSA-N 1 0 289.339 -0.791 20 30 CBEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001484889508 917957873 /nfs/dbraw/zinc/95/78/73/917957873.db2.gz NBALQNCBGNXXPS-QWRGUYRKSA-N 1 0 268.361 -0.072 20 30 CBEDRO C#CCC[NH2+][C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C ZINC001484884802 917959721 /nfs/dbraw/zinc/95/97/21/917959721.db2.gz NTUXHXJHHGCTIA-FZMZJTMJSA-N 1 0 277.368 -0.076 20 30 CBEDRO C#CCC[NH2+][C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C ZINC001484883420 917960146 /nfs/dbraw/zinc/96/01/46/917960146.db2.gz CJIUHZWMOQPPHK-KGLIPLIRSA-N 1 0 279.384 -0.222 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC001484884367 917960157 /nfs/dbraw/zinc/96/01/57/917960157.db2.gz IUJIKCZQQCVVPX-RYUDHWBXSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=CCn1cc(C(=O)N2C[C@H]([NH2+]CCCO)[C@@H](C)C2)nn1 ZINC001484901042 917964124 /nfs/dbraw/zinc/96/41/24/917964124.db2.gz ZNKIZRJYJZWQEM-RYUDHWBXSA-N 1 0 293.371 -0.103 20 30 CBEDRO CC(C)C#CC(=O)N1CCN(C2C[NH+](C[C@H](C)O)C2)CC1 ZINC001484944891 917967848 /nfs/dbraw/zinc/96/78/48/917967848.db2.gz ILEAJMSWLVJGAG-AWEZNQCLSA-N 1 0 293.411 -0.145 20 30 CBEDRO C#CC[NH2+]CC1(O)CCN(C(=O)c2cnnn2CC)CC1 ZINC001484952396 917969339 /nfs/dbraw/zinc/96/93/39/917969339.db2.gz DTKXXARMWRMEMQ-UHFFFAOYSA-N 1 0 291.355 -0.512 20 30 CBEDRO C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001484958850 917969912 /nfs/dbraw/zinc/96/99/12/917969912.db2.gz YIACZTZOWWLZRJ-LBPRGKRZSA-N 1 0 295.383 -0.358 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001484954571 917970215 /nfs/dbraw/zinc/97/02/15/917970215.db2.gz PFFBPSRBOVGFOP-GFCCVEGCSA-N 1 0 295.383 -0.406 20 30 CBEDRO C=CC[NH2+]CC1(O)CCN(C(=O)c2cnn(C)n2)CC1 ZINC001484961686 917973181 /nfs/dbraw/zinc/97/31/81/917973181.db2.gz QGHKNDBGIYGNNB-UHFFFAOYSA-N 1 0 279.344 -0.442 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CCNC(=O)Cc1nnc(C)[nH]1 ZINC001484992464 917978192 /nfs/dbraw/zinc/97/81/92/917978192.db2.gz 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C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001485212139 918028476 /nfs/dbraw/zinc/02/84/76/918028476.db2.gz OLJAFEIZGXUBNL-UWVGGRQHSA-N 1 0 280.328 -0.956 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(=O)NCC1CC1 ZINC001485210055 918029100 /nfs/dbraw/zinc/02/91/00/918029100.db2.gz MUMLVTBFPDUHMJ-NWDGAFQWSA-N 1 0 295.383 -0.355 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)CCC ZINC001485224782 918034155 /nfs/dbraw/zinc/03/41/55/918034155.db2.gz KFUILEDHHHPJEA-GHMZBOCLSA-N 1 0 274.386 -0.073 20 30 CBEDRO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001485275618 918041348 /nfs/dbraw/zinc/04/13/48/918041348.db2.gz ZKUFPRRIFZBEIX-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001485311480 918067258 /nfs/dbraw/zinc/06/72/58/918067258.db2.gz AELFCFBSSCXHIC-LBPRGKRZSA-N 1 0 283.372 -0.142 20 30 CBEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001485307225 918067864 /nfs/dbraw/zinc/06/78/64/918067864.db2.gz 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C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634453 918160285 /nfs/dbraw/zinc/16/02/85/918160285.db2.gz UAHYNWCCXLIFSU-ONGXEEELSA-N 1 0 280.353 -0.010 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001485634251 918161014 /nfs/dbraw/zinc/16/10/14/918161014.db2.gz LRTWOOKZWQQVIE-ZYHUDNBSSA-N 1 0 277.328 -0.733 20 30 CBEDRO C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634451 918161130 /nfs/dbraw/zinc/16/11/30/918161130.db2.gz UAHYNWCCXLIFSU-MWLCHTKSSA-N 1 0 280.353 -0.010 20 30 CBEDRO C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)CCO1 ZINC001485640497 918161339 /nfs/dbraw/zinc/16/13/39/918161339.db2.gz WTWOQQLZEYDVEL-JQWIXIFHSA-N 1 0 290.323 -0.366 20 30 CBEDRO C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001485677432 918167880 /nfs/dbraw/zinc/16/78/80/918167880.db2.gz LACWSYATQOQYNA-UMSPYCQHSA-N 1 0 291.355 -0.190 20 30 CBEDRO C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001485695387 918169975 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COCC#CC[NH2+]CCC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001485744616 918181828 /nfs/dbraw/zinc/18/18/28/918181828.db2.gz WPLRRWYPWCXPGV-LBPRGKRZSA-N 1 0 293.371 -0.047 20 30 CBEDRO CNC(=O)C[N@H+](C)C1CCN(C(=O)CSCC#N)CC1 ZINC001485754165 918181918 /nfs/dbraw/zinc/18/19/18/918181918.db2.gz VSVODYBPUNEHCE-UHFFFAOYSA-N 1 0 298.412 -0.088 20 30 CBEDRO C#CC[N@H+](C)CCOCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001485775495 918184406 /nfs/dbraw/zinc/18/44/06/918184406.db2.gz HQWKSEUEWYGXHA-UHFFFAOYSA-N 1 0 292.339 -0.575 20 30 CBEDRO C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CNC(=O)N1 ZINC001485775994 918185920 /nfs/dbraw/zinc/18/59/20/918185920.db2.gz IDQFQJKUQGNHMK-LLVKDONJSA-N 1 0 284.360 -0.692 20 30 CBEDRO C#CC[N@@H+](C)CCOCCNC(=O)[C@@]1(CC)CCNC1=O ZINC001485771740 918186359 /nfs/dbraw/zinc/18/63/59/918186359.db2.gz DAJNOZXWUPJLOQ-HNNXBMFYSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC#CC[NH2+]CCCOCCNC(=O)c1ccc(=O)[nH]n1 ZINC001485793505 918190744 /nfs/dbraw/zinc/19/07/44/918190744.db2.gz VIQVSVMEIKLHBL-UHFFFAOYSA-N 1 0 292.339 -0.068 20 30 CBEDRO C#CC[NH2+][C@H](CCNC(=O)C1CS(=O)(=O)C1)C(C)C ZINC001485785828 918191657 /nfs/dbraw/zinc/19/16/57/918191657.db2.gz MRNJKJXYWJMKOS-GFCCVEGCSA-N 1 0 286.397 -0.215 20 30 CBEDRO CC(=O)N(C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485797425 918191671 /nfs/dbraw/zinc/19/16/71/918191671.db2.gz NUPDKEUYURMECV-NSHDSACASA-N 1 0 252.318 -0.527 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cn[nH]n1 ZINC001485817513 918194250 /nfs/dbraw/zinc/19/42/50/918194250.db2.gz NSIPRQLLMCQAMU-ZDUSSCGKSA-N 1 0 291.355 -0.105 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001485842448 918204816 /nfs/dbraw/zinc/20/48/16/918204816.db2.gz IYQJEGNGCXBDSF-WDEREUQCSA-N 1 0 298.387 -0.750 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CCn1cncn1 ZINC001485849282 918206537 /nfs/dbraw/zinc/20/65/37/918206537.db2.gz JYOBDERKLIDFKW-ZDUSSCGKSA-N 1 0 293.371 -0.246 20 30 CBEDRO C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)[NH2+]CC(=O)NCC#N ZINC001485864263 918211532 /nfs/dbraw/zinc/21/15/32/918211532.db2.gz XUNIZNFMINGEEE-RYUDHWBXSA-N 1 0 296.371 -0.368 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cncnc1 ZINC001485864562 918212063 /nfs/dbraw/zinc/21/20/63/918212063.db2.gz GMDRZPLHJNKNTQ-NSHDSACASA-N 1 0 291.355 -0.171 20 30 CBEDRO C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001485858292 918212920 /nfs/dbraw/zinc/21/29/20/918212920.db2.gz NAXOBDAPPDZTMN-MNOVXSKESA-N 1 0 296.371 -0.915 20 30 CBEDRO CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485876418 918215816 /nfs/dbraw/zinc/21/58/16/918215816.db2.gz ASSAAICBHCJDTI-CHWSQXEVSA-N 1 0 297.399 -0.013 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]nc1C ZINC001485907051 918221042 /nfs/dbraw/zinc/22/10/42/918221042.db2.gz VALXCDSXGMFDIV-JTQLQIEISA-N 1 0 291.355 -0.482 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001485894944 918222132 /nfs/dbraw/zinc/22/21/32/918222132.db2.gz WZPZMPAHXDFENI-VHSXEESVSA-N 1 0 294.359 -0.455 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001485914011 918225958 /nfs/dbraw/zinc/22/59/58/918225958.db2.gz RZGXQSVNKDRJHD-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485921912 918230578 /nfs/dbraw/zinc/23/05/78/918230578.db2.gz DTWXKROHRDKHSP-UTUOFQBUSA-N 1 0 281.356 -0.806 20 30 CBEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CS(=O)(=O)CC ZINC001485961406 918238138 /nfs/dbraw/zinc/23/81/38/918238138.db2.gz RXTLZWNRKBCYLD-LLVKDONJSA-N 1 0 274.386 -0.119 20 30 CBEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001485954101 918240171 /nfs/dbraw/zinc/24/01/71/918240171.db2.gz JSBMNYDYNSLZJY-JTQLQIEISA-N 1 0 282.344 -0.497 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1ccoc1 ZINC001485973472 918256253 /nfs/dbraw/zinc/25/62/53/918256253.db2.gz OCBVRIAXPXMGGV-PWSUYJOCSA-N 1 0 295.339 -0.349 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)/C=C(/C)C1CC1 ZINC001485978392 918265659 /nfs/dbraw/zinc/26/56/59/918265659.db2.gz YXBGBRWUTFRQES-YLBKJLTLSA-N 1 0 293.367 -0.841 20 30 CBEDRO COCC#CC[NH2+][C@H](CO)CNC(=O)COC1CCCC1 ZINC001485978454 918268589 /nfs/dbraw/zinc/26/85/89/918268589.db2.gz ZUMMIVKKDCMBOQ-ZDUSSCGKSA-N 1 0 298.383 -0.338 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)CO[C@H](C)CC ZINC001485986519 918280220 /nfs/dbraw/zinc/28/02/20/918280220.db2.gz DCLMUIHAKFELFW-NEPJUHHUSA-N 1 0 256.346 -0.109 20 30 CBEDRO C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCOC1 ZINC001485986959 918281048 /nfs/dbraw/zinc/28/10/48/918281048.db2.gz XRJHBFUKUOLGGT-OLZOCXBDSA-N 1 0 268.357 -0.107 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)c1c(F)cncc1F ZINC001486000375 918294755 /nfs/dbraw/zinc/29/47/55/918294755.db2.gz QSKZOBLWIVKMST-MRVPVSSYSA-N 1 0 269.251 -0.327 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCc1ccnn1C ZINC001485999927 918294991 /nfs/dbraw/zinc/29/49/91/918294991.db2.gz ICANNHAVOPOEQQ-GFCCVEGCSA-N 1 0 280.372 -0.005 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)COCc1cc(C)on1 ZINC001486007300 918302180 /nfs/dbraw/zinc/30/21/80/918302180.db2.gz DEHDZNXGNFZTMF-LBPRGKRZSA-N 1 0 281.312 -0.800 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)COCc1cc(C)on1 ZINC001486007299 918302490 /nfs/dbraw/zinc/30/24/90/918302490.db2.gz DEHDZNXGNFZTMF-GFCCVEGCSA-N 1 0 281.312 -0.800 20 30 CBEDRO C=C(C)CC[NH2+][C@@H](CO)CNC(=O)CN1CCCNC1=O ZINC001486011074 918303124 /nfs/dbraw/zinc/30/31/24/918303124.db2.gz JLHLTQQCNAAFAV-GFCCVEGCSA-N 1 0 298.387 -0.565 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001486008331 918304329 /nfs/dbraw/zinc/30/43/29/918304329.db2.gz IKVVRCJOONACDD-RYUDHWBXSA-N 1 0 253.346 -0.829 20 30 CBEDRO C#CCC[NH2+][C@@H](CO)CNC(=O)C1(COC)CC1 ZINC001486016479 918310234 /nfs/dbraw/zinc/31/02/34/918310234.db2.gz GZBCGSSZZYISPK-LLVKDONJSA-N 1 0 254.330 -0.497 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1c(C)cnn1C ZINC001486027465 918320189 /nfs/dbraw/zinc/32/01/89/918320189.db2.gz LRJQSSKCRCKSAH-JTQLQIEISA-N 1 0 250.302 -0.958 20 30 CBEDRO C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001486031270 918322546 /nfs/dbraw/zinc/32/25/46/918322546.db2.gz CLDDQDKKAQJMRO-MFKMUULPSA-N 1 0 269.345 -0.702 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001486034820 918328641 /nfs/dbraw/zinc/32/86/41/918328641.db2.gz VHMGPHZXURZDTK-QWHCGFSZSA-N 1 0 269.389 -0.029 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C)[nH]c1=O ZINC001486038175 918333181 /nfs/dbraw/zinc/33/31/81/918333181.db2.gz JZOVQPRNQKOKGR-JTQLQIEISA-N 1 0 263.297 -0.591 20 30 CBEDRO C=CCC(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001486039615 918334773 /nfs/dbraw/zinc/33/47/73/918334773.db2.gz YFTWNLKGTVRRDR-SECBINFHSA-N 1 0 257.334 -0.859 20 30 CBEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)[NH2+]CC ZINC001486041278 918335511 /nfs/dbraw/zinc/33/55/11/918335511.db2.gz NUWXAXFECJTBPT-NWDGAFQWSA-N 1 0 271.361 -0.456 20 30 CBEDRO C=CCC[NH2+][C@@H](CO)CNC(=O)c1ccncn1 ZINC001486044461 918337332 /nfs/dbraw/zinc/33/73/32/918337332.db2.gz PXOWVLGSCBZIGB-SNVBAGLBSA-N 1 0 250.302 -0.267 20 30 CBEDRO C=CCC[NH2+][C@H](CO)CNC(=O)c1ccncn1 ZINC001486044459 918337875 /nfs/dbraw/zinc/33/78/75/918337875.db2.gz PXOWVLGSCBZIGB-JTQLQIEISA-N 1 0 250.302 -0.267 20 30 CBEDRO CC#CC[NH2+][C@H](CO)CNC(=O)c1cnc2cccnn21 ZINC001486043985 918338533 /nfs/dbraw/zinc/33/85/33/918338533.db2.gz UXVMHMVSEHELMZ-NSHDSACASA-N 1 0 287.323 -0.567 20 30 CBEDRO C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001486051154 918346018 /nfs/dbraw/zinc/34/60/18/918346018.db2.gz WKQLUSMTGMXSJI-NWDGAFQWSA-N 1 0 297.399 -0.373 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001486049751 918347034 /nfs/dbraw/zinc/34/70/34/918347034.db2.gz HXCSJQPMHAWXMY-PWSUYJOCSA-N 1 0 276.340 -0.786 20 30 CBEDRO C=CC[NH2+][C@H](CO)CNC(=O)C1(C(=O)NC)CCC1 ZINC001486055925 918348033 /nfs/dbraw/zinc/34/80/33/918348033.db2.gz QKWJUOBWPYUIPN-JTQLQIEISA-N 1 0 269.345 -0.845 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]CCOC)cn1 ZINC001486055572 918348646 /nfs/dbraw/zinc/34/86/46/918348646.db2.gz NFFGHLHPAJLOTC-ZDUSSCGKSA-N 1 0 277.324 -0.610 20 30 CBEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)OC)cn1 ZINC001486055008 918349802 /nfs/dbraw/zinc/34/98/02/918349802.db2.gz HPYMSHQNGHGCPD-RISCZKNCSA-N 1 0 291.351 -0.222 20 30 CBEDRO COCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486069359 918352158 /nfs/dbraw/zinc/35/21/58/918352158.db2.gz GFNBWBHWOQINBV-GHMZBOCLSA-N 1 0 282.344 -0.758 20 30 CBEDRO C#CC[NH2+][C@H](CO)CNC(=O)CN(C)Cc1ccccc1 ZINC001486066321 918354423 /nfs/dbraw/zinc/35/44/23/918354423.db2.gz RXRJIQSLTICIPC-HNNXBMFYSA-N 1 0 289.379 -0.182 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCOC)[C@H]1C ZINC001486069411 918355854 /nfs/dbraw/zinc/35/58/54/918355854.db2.gz GXEZUUVEABHFLM-NWDGAFQWSA-N 1 0 283.372 -0.096 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CCNC(=O)NC)[C@@H]1C ZINC001486079770 918358541 /nfs/dbraw/zinc/35/85/41/918358541.db2.gz QPLQUMIPLPKNAQ-NEPJUHHUSA-N 1 0 280.372 -0.092 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCOC)C1 ZINC001486097480 918361788 /nfs/dbraw/zinc/36/17/88/918361788.db2.gz JOCDJRLBXRMQDQ-NEPJUHHUSA-N 1 0 283.372 -0.096 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001486104863 918367038 /nfs/dbraw/zinc/36/70/38/918367038.db2.gz GUAFSQLMTROJCE-JQWIXIFHSA-N 1 0 263.341 -0.275 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001486122995 918371452 /nfs/dbraw/zinc/37/14/52/918371452.db2.gz WLXQDCDKKRUPAI-MNOVXSKESA-N 1 0 274.324 -0.014 20 30 CBEDRO C=CCCOCC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001486138473 918371720 /nfs/dbraw/zinc/37/17/20/918371720.db2.gz XXAYUICOSFQVDV-MNOVXSKESA-N 1 0 269.345 -0.357 20 30 CBEDRO CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC001486132231 918372507 /nfs/dbraw/zinc/37/25/07/918372507.db2.gz SLJUKKFKZZQRJP-MNOVXSKESA-N 1 0 261.329 -0.051 20 30 CBEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001486131223 918373591 /nfs/dbraw/zinc/37/35/91/918373591.db2.gz SOLRGEDSVLVCEW-JQWIXIFHSA-N 1 0 291.351 -0.359 20 30 CBEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001486202834 918380633 /nfs/dbraw/zinc/38/06/33/918380633.db2.gz PZWPKVKWINVETH-QWHCGFSZSA-N 1 0 295.383 -0.094 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001486197225 918382578 /nfs/dbraw/zinc/38/25/78/918382578.db2.gz WBQDPRXFYNVHKN-GHMZBOCLSA-N 1 0 267.329 -0.150 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)COC ZINC001486254957 918389002 /nfs/dbraw/zinc/38/90/02/918389002.db2.gz ZVJCQLTYUAOHPV-VIFPVBQESA-N 1 0 250.726 -0.206 20 30 CBEDRO C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486259607 918392391 /nfs/dbraw/zinc/39/23/91/918392391.db2.gz GMHPNPLGNDMVSA-SNVBAGLBSA-N 1 0 280.328 -0.219 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486259539 918394919 /nfs/dbraw/zinc/39/49/19/918394919.db2.gz FACVPTREHVBTEZ-SNVBAGLBSA-N 1 0 280.328 -0.219 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001486262914 918397844 /nfs/dbraw/zinc/39/78/44/918397844.db2.gz IILORSIXRZNPTG-GFCCVEGCSA-N 1 0 278.356 -0.226 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001486261855 918397950 /nfs/dbraw/zinc/39/79/50/918397950.db2.gz NPZZNRFGIRRQBE-NSHDSACASA-N 1 0 266.345 -0.063 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CSCC#N ZINC001486262351 918398680 /nfs/dbraw/zinc/39/86/80/918398680.db2.gz XOTDURHLHIHUEA-NSHDSACASA-N 1 0 269.370 -0.325 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCO1 ZINC001486270914 918402345 /nfs/dbraw/zinc/40/23/45/918402345.db2.gz JBGWIUCMGNYPKO-STQMWFEESA-N 1 0 268.357 -0.012 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCO1 ZINC001486270912 918402429 /nfs/dbraw/zinc/40/24/29/918402429.db2.gz JBGWIUCMGNYPKO-OLZOCXBDSA-N 1 0 268.357 -0.012 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001486268938 918402445 /nfs/dbraw/zinc/40/24/45/918402445.db2.gz WAUBYECIGOXBHT-QWHCGFSZSA-N 1 0 285.388 -0.698 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001486275036 918404879 /nfs/dbraw/zinc/40/48/79/918404879.db2.gz OHWKMGWWNGDHLJ-UKRRQHHQSA-N 1 0 298.383 -0.628 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](OCC)C1CC1 ZINC001486277116 918405464 /nfs/dbraw/zinc/40/54/64/918405464.db2.gz CRQNUJXEKVVQAI-CHWSQXEVSA-N 1 0 268.357 -0.156 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnn(CC)n1 ZINC001486274430 918405644 /nfs/dbraw/zinc/40/56/44/918405644.db2.gz OANJIHGRCQNIRW-LLVKDONJSA-N 1 0 281.360 -0.103 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)NC(=O)CC ZINC001486280242 918408081 /nfs/dbraw/zinc/40/80/81/918408081.db2.gz KBYSVIISDYRROM-MNOVXSKESA-N 1 0 271.361 -0.504 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001486278626 918408713 /nfs/dbraw/zinc/40/87/13/918408713.db2.gz LCDGECUACFESRL-VXGBXAGGSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001486278623 918409079 /nfs/dbraw/zinc/40/90/79/918409079.db2.gz LCDGECUACFESRL-NEPJUHHUSA-N 1 0 283.372 -0.550 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[nH]c1=O ZINC001486286046 918411156 /nfs/dbraw/zinc/41/11/56/918411156.db2.gz TYQTWOPHGAGXSM-SNVBAGLBSA-N 1 0 280.328 -0.219 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001486287032 918411365 /nfs/dbraw/zinc/41/13/65/918411365.db2.gz XMDUZDQKLFJDOC-CYBMUJFWSA-N 1 0 291.351 -0.569 20 30 CBEDRO CN(C[C@@H](O)CNCC#N)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486285379 918411836 /nfs/dbraw/zinc/41/18/36/918411836.db2.gz ODHZWRHLPFWOAS-ZDUSSCGKSA-N 1 0 294.399 -0.205 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccnc1C(N)=O ZINC001486317865 918424407 /nfs/dbraw/zinc/42/44/07/918424407.db2.gz MLDPLPRKFNZSEQ-SNVBAGLBSA-N 1 0 292.339 -0.611 20 30 CBEDRO C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001486328670 918431937 /nfs/dbraw/zinc/43/19/37/918431937.db2.gz LPPZRVOOUUSTFH-JTQLQIEISA-N 1 0 277.328 -0.943 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001486328671 918433356 /nfs/dbraw/zinc/43/33/56/918433356.db2.gz LPPZRVOOUUSTFH-SNVBAGLBSA-N 1 0 277.328 -0.943 20 30 CBEDRO C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CNC(=O)CC ZINC001486329427 918437926 /nfs/dbraw/zinc/43/79/26/918437926.db2.gz ZHNBWOWOXFVUGU-NSHDSACASA-N 1 0 271.361 -0.550 20 30 CBEDRO C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001486348191 918445181 /nfs/dbraw/zinc/44/51/81/918445181.db2.gz BKFHLFMRCTYIFD-FRRDWIJNSA-N 1 0 297.399 -0.175 20 30 CBEDRO C#CC[N@@H+](C)CCN(C(=O)[C@H]1COC(=O)N1)C(C)C ZINC001486367783 918448234 /nfs/dbraw/zinc/44/82/34/918448234.db2.gz MURWZVNCPJKORJ-LLVKDONJSA-N 1 0 267.329 -0.103 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C(=O)Cn1ncnn1)C(C)C ZINC001486369134 918449454 /nfs/dbraw/zinc/44/94/54/918449454.db2.gz GUKXMCYBUDUJPS-UHFFFAOYSA-N 1 0 278.360 -0.135 20 30 CBEDRO CO[C@@H](C)C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001486387370 918452690 /nfs/dbraw/zinc/45/26/90/918452690.db2.gz CQTXBBPCHBKOEA-WDEREUQCSA-N 1 0 298.387 -0.218 20 30 CBEDRO COCC#CC[NH2+]C[C@H](NC(=O)CC(N)=O)C(C)(C)C ZINC001486389738 918453636 /nfs/dbraw/zinc/45/36/36/918453636.db2.gz CIKQTNRAQQJGRD-NSHDSACASA-N 1 0 283.372 -0.368 20 30 CBEDRO COCC(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001486381790 918454474 /nfs/dbraw/zinc/45/44/74/918454474.db2.gz SYNVDCJMWHKKML-JTQLQIEISA-N 1 0 284.360 -0.607 20 30 CBEDRO C#CC[NH2+]C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C(C)(C)C ZINC001486416193 918459545 /nfs/dbraw/zinc/45/95/45/918459545.db2.gz JQNZFOIZANHFLW-NSHDSACASA-N 1 0 293.367 -0.207 20 30 CBEDRO CC#CC[NH2+]C1CC(N(C)C(=O)CNC(C)=O)C1 ZINC001486453646 918464032 /nfs/dbraw/zinc/46/40/32/918464032.db2.gz MKNKJYZEJKKGFV-UHFFFAOYSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)CNS(=O)(=O)CC)C1 ZINC001486463009 918468699 /nfs/dbraw/zinc/46/86/99/918468699.db2.gz NIWJZEKGSDNQGI-UHFFFAOYSA-N 1 0 287.385 -0.862 20 30 CBEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001486477515 918471094 /nfs/dbraw/zinc/47/10/94/918471094.db2.gz REPDMBGHMMFULQ-KPPDAEKUSA-N 1 0 287.385 -0.864 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)c1cc(OC)no1 ZINC001486493772 918472703 /nfs/dbraw/zinc/47/27/03/918472703.db2.gz KLXNVCDEPDQJQF-UHFFFAOYSA-N 1 0 281.312 -0.005 20 30 CBEDRO CC#CC[N@H+]1CC=C(CNC(=O)Cn2cnnn2)CC1 ZINC001486501849 918474565 /nfs/dbraw/zinc/47/45/65/918474565.db2.gz IVOIHMOBPMSMKA-UHFFFAOYSA-N 1 0 274.328 -0.555 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)CC1(O)CCC1 ZINC001486495338 918475900 /nfs/dbraw/zinc/47/59/00/918475900.db2.gz DDORWFPIROZJHL-UHFFFAOYSA-N 1 0 268.357 -0.011 20 30 CBEDRO COCC#CC[NH2+]CCOCCN(C)C(=O)c1ncc[nH]1 ZINC001486496633 918476498 /nfs/dbraw/zinc/47/64/98/918476498.db2.gz SNWXDJOQDNRNBK-UHFFFAOYSA-N 1 0 294.355 -0.262 20 30 CBEDRO C=CC[NH2+]CCOCCN(C)C(=O)c1cnon1 ZINC001486499884 918476581 /nfs/dbraw/zinc/47/65/81/918476581.db2.gz YBYDHCTUAWZUDF-UHFFFAOYSA-N 1 0 254.290 -0.066 20 30 CBEDRO C#CC[NH2+]CCOCCN(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001486494443 918476805 /nfs/dbraw/zinc/47/68/05/918476805.db2.gz KGEAURIXDCWXKE-CYBMUJFWSA-N 1 0 295.383 -0.400 20 30 CBEDRO C=CCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001487961404 918633091 /nfs/dbraw/zinc/63/30/91/918633091.db2.gz FJPVPGLYJOOJNI-RYUDHWBXSA-N 1 0 283.372 -0.360 20 30 CBEDRO C[C@H](C#N)C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403191 918726601 /nfs/dbraw/zinc/72/66/01/918726601.db2.gz QIFMNFFVXDXXRD-MNOVXSKESA-N 1 0 284.360 -0.967 20 30 CBEDRO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001488717151 918758990 /nfs/dbraw/zinc/75/89/90/918758990.db2.gz JAFKHEQUSHABMR-GARJFASQSA-N 1 0 266.345 -0.233 20 30 CBEDRO COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC001488718292 918759278 /nfs/dbraw/zinc/75/92/78/918759278.db2.gz SSGHJGICPBGYII-NNYUYHANSA-N 1 0 269.345 -0.362 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001488716889 918759400 /nfs/dbraw/zinc/75/94/00/918759400.db2.gz HOFVUVQXMYXKNK-UPJWGTAASA-N 1 0 293.367 -0.743 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001488775424 918764152 /nfs/dbraw/zinc/76/41/52/918764152.db2.gz SWAQPVXHUQHCBL-GRYCIOLGSA-N 1 0 290.367 -0.089 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001488772003 918764828 /nfs/dbraw/zinc/76/48/28/918764828.db2.gz JTBLRJXPHXCGPF-UHIISALHSA-N 1 0 263.341 -0.370 20 30 CBEDRO CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488803935 918770181 /nfs/dbraw/zinc/77/01/81/918770181.db2.gz YYEZKTSRMBJYGJ-MGCOHNPYSA-N 1 0 252.318 -0.479 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001488823588 918772459 /nfs/dbraw/zinc/77/24/59/918772459.db2.gz DKXSHLOPWKSBJI-GIPNMCIBSA-N 1 0 269.345 -0.717 20 30 CBEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001488876150 918774343 /nfs/dbraw/zinc/77/43/43/918774343.db2.gz HWWBJRLHMPYXDF-HAQNSBGRSA-N 1 0 293.371 -0.439 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](F)CC)C1 ZINC001488847362 918775188 /nfs/dbraw/zinc/77/51/88/918775188.db2.gz UVHDEYFUPPZYEU-IJLUTSLNSA-N 1 0 283.347 -0.032 20 30 CBEDRO C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001488896889 918778003 /nfs/dbraw/zinc/77/80/03/918778003.db2.gz MERQNZDLGSTUGT-WDEREUQCSA-N 1 0 262.317 -0.819 20 30 CBEDRO C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC(N)=O)C1 ZINC001488883534 918778140 /nfs/dbraw/zinc/77/81/40/918778140.db2.gz XWHWNICBSYVTCR-XYPYZODXSA-N 1 0 251.330 -0.240 20 30 CBEDRO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001488910013 918779865 /nfs/dbraw/zinc/77/98/65/918779865.db2.gz XSENJIRFUBSTEA-TUAOUCFPSA-N 1 0 279.340 -0.007 20 30 CBEDRO C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001489148988 918789537 /nfs/dbraw/zinc/78/95/37/918789537.db2.gz GFIRBYOJVGAKNM-LBPRGKRZSA-N 1 0 294.359 -0.856 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(C)=O ZINC001489209786 918799956 /nfs/dbraw/zinc/79/99/56/918799956.db2.gz ZRSSOZWXXWRQSU-GFCCVEGCSA-N 1 0 283.372 -0.449 20 30 CBEDRO C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001489212965 918800434 /nfs/dbraw/zinc/80/04/34/918800434.db2.gz KQTCRICVWMNUQZ-CHWSQXEVSA-N 1 0 296.367 -0.165 20 30 CBEDRO C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001489238233 918800812 /nfs/dbraw/zinc/80/08/12/918800812.db2.gz IWJKNJBZGAXYFA-LLVKDONJSA-N 1 0 251.330 -0.144 20 30 CBEDRO C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C#CC1CC1 ZINC001490193407 918861382 /nfs/dbraw/zinc/86/13/82/918861382.db2.gz POULLISVKQQABG-JTQLQIEISA-N 1 0 251.330 -0.288 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001490251331 918874264 /nfs/dbraw/zinc/87/42/64/918874264.db2.gz FSHILIYYQRZAQK-UPJWGTAASA-N 1 0 295.383 -0.096 20 30 CBEDRO COCC#CC[N@H+](C)CCCNC(=O)C(=O)NCC1CC1 ZINC001490264761 918881218 /nfs/dbraw/zinc/88/12/18/918881218.db2.gz QGTGDFLDRTUZNZ-UHFFFAOYSA-N 1 0 295.383 -0.400 20 30 CBEDRO CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001490283981 918886277 /nfs/dbraw/zinc/88/62/77/918886277.db2.gz JHYVPMAWUBAQQL-NSHDSACASA-N 1 0 287.385 -0.861 20 30 CBEDRO C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490305495 918888192 /nfs/dbraw/zinc/88/81/92/918888192.db2.gz HWCOIPOVXBECNY-GHMZBOCLSA-N 1 0 251.330 -0.146 20 30 CBEDRO COCC#CC[NH+]1CCC(N(C)C(=O)CNC(C)=O)CC1 ZINC001490397290 918904513 /nfs/dbraw/zinc/90/45/13/918904513.db2.gz HACIXUKZMXAJGM-UHFFFAOYSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CCN1CC[NH+](CCCNC(=O)CCCC(N)=O)CC1 ZINC001490476799 918911324 /nfs/dbraw/zinc/91/13/24/918911324.db2.gz MMJCAPZVSKSKDS-UHFFFAOYSA-N 1 0 294.399 -0.601 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)CC(=O)NCC)C1CC1 ZINC001490653753 918954703 /nfs/dbraw/zinc/95/47/03/918954703.db2.gz SCRVIAXAAOSJPY-NSHDSACASA-N 1 0 251.330 -0.370 20 30 CBEDRO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C2)c1 ZINC001490529749 918932366 /nfs/dbraw/zinc/93/23/66/918932366.db2.gz DIHKUJFIZWEROR-GFCCVEGCSA-N 1 0 292.339 -0.301 20 30 CBEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001490550001 918938812 /nfs/dbraw/zinc/93/88/12/918938812.db2.gz CZBUOFMINNALLG-LLVKDONJSA-N 1 0 279.340 -0.098 20 30 CBEDRO CO[C@H](C)C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001490637744 918946032 /nfs/dbraw/zinc/94/60/32/918946032.db2.gz IFCNSMVQLMPKQM-MWLCHTKSSA-N 1 0 282.344 -0.855 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC001490631214 918946203 /nfs/dbraw/zinc/94/62/03/918946203.db2.gz FEGPBVDKVJLHSA-CABZTGNLSA-N 1 0 251.330 -0.371 20 30 CBEDRO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C)C#N)C1CC1 ZINC001490645434 918950179 /nfs/dbraw/zinc/95/01/79/918950179.db2.gz RDJGLXPFELSSJV-WCBMZHEXSA-N 1 0 252.318 -0.624 20 30 CBEDRO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001490648019 918950495 /nfs/dbraw/zinc/95/04/95/918950495.db2.gz GXADFLORBDBVHK-ZIAGYGMSSA-N 1 0 279.384 -0.175 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001490659474 918954942 /nfs/dbraw/zinc/95/49/42/918954942.db2.gz LYHNHAUCMZMOSZ-DOMZBBRYSA-N 1 0 297.399 -0.114 20 30 CBEDRO C=C[C@](C)(O)CC(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001490659479 918955493 /nfs/dbraw/zinc/95/54/93/918955493.db2.gz LYHNHAUCMZMOSZ-WFASDCNBSA-N 1 0 297.399 -0.114 20 30 CBEDRO C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001490697513 918961616 /nfs/dbraw/zinc/96/16/16/918961616.db2.gz UMRMKFXNLHRAFR-RYUDHWBXSA-N 1 0 263.341 -0.275 20 30 CBEDRO C=CC[NH2+][C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001490750434 918970250 /nfs/dbraw/zinc/97/02/50/918970250.db2.gz XICIZNSCUWXCEO-WDEREUQCSA-N 1 0 279.340 -0.290 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001490811352 918971645 /nfs/dbraw/zinc/97/16/45/918971645.db2.gz UQIRGIWNNALPNZ-ZDUSSCGKSA-N 1 0 276.340 -0.277 20 30 CBEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001490840395 918974711 /nfs/dbraw/zinc/97/47/11/918974711.db2.gz ZKPMFODOSWVQNS-NSHDSACASA-N 1 0 296.371 -0.011 20 30 CBEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001490828591 918975888 /nfs/dbraw/zinc/97/58/88/918975888.db2.gz FJYUJNWKZRRBLC-LBPRGKRZSA-N 1 0 281.356 -0.388 20 30 CBEDRO C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001490836523 918976870 /nfs/dbraw/zinc/97/68/70/918976870.db2.gz JODJQLLYXWZDEI-RYUDHWBXSA-N 1 0 281.356 -0.484 20 30 CBEDRO CC(C)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001490865485 918978803 /nfs/dbraw/zinc/97/88/03/918978803.db2.gz COGRPSLENBEPKZ-MGCOHNPYSA-N 1 0 252.318 -0.481 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)COCC)C1 ZINC001490866317 918978828 /nfs/dbraw/zinc/97/88/28/918978828.db2.gz QPYOXUDFCRRXNP-XYPYZODXSA-N 1 0 269.345 -0.438 20 30 CBEDRO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CSCC#N)C2)C1=O ZINC001490870961 918979389 /nfs/dbraw/zinc/97/93/89/918979389.db2.gz CNMSZTUVHWUYRV-GMTAPVOTSA-N 1 0 296.396 -0.289 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCOC(C)C)C1 ZINC001490872651 918982289 /nfs/dbraw/zinc/98/22/89/918982289.db2.gz WWKFKQGILIVHOI-JOCQHMNTSA-N 1 0 295.383 -0.212 20 30 CBEDRO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001490881871 918982888 /nfs/dbraw/zinc/98/28/88/918982888.db2.gz SEEWCSXEWUEALI-MGCOHNPYSA-N 1 0 255.318 -0.699 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)OC)C1 ZINC001490873895 918984431 /nfs/dbraw/zinc/98/44/31/918984431.db2.gz VBZGJDSDSIQGBZ-SRVKXCTJSA-N 1 0 283.372 -0.050 20 30 CBEDRO O=C(C#CC1CC1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001490889793 918987048 /nfs/dbraw/zinc/98/70/48/918987048.db2.gz XXXXOOOEZWVXTD-SRVKXCTJSA-N 1 0 261.325 -0.475 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC001490938558 918992406 /nfs/dbraw/zinc/99/24/06/918992406.db2.gz GJXNYFLKBZEWAP-HAQNSBGRSA-N 1 0 289.335 -0.192 20 30 CBEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CS(=O)(=O)N(C)C)C1 ZINC001490946559 918993709 /nfs/dbraw/zinc/99/37/09/918993709.db2.gz FCTWPXUEHBLDRE-XYPYZODXSA-N 1 0 289.401 -0.309 20 30 CBEDRO N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001490932243 918994700 /nfs/dbraw/zinc/99/47/00/918994700.db2.gz FBXRQEKWYFIVDK-GMTAPVOTSA-N 1 0 276.340 -0.337 20 30 CBEDRO 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C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001491455194 919171340 /nfs/dbraw/zinc/17/13/40/919171340.db2.gz OZYRINUGSQPUHC-CHWSQXEVSA-N 1 0 297.399 -0.014 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC ZINC001491486619 919182109 /nfs/dbraw/zinc/18/21/09/919182109.db2.gz LYHQDEAPTBJQBC-STQMWFEESA-N 1 0 294.399 -0.686 20 30 CBEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC ZINC001491486618 919182687 /nfs/dbraw/zinc/18/26/87/919182687.db2.gz LYHQDEAPTBJQBC-OLZOCXBDSA-N 1 0 294.399 -0.686 20 30 CBEDRO CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001491558398 919202195 /nfs/dbraw/zinc/20/21/95/919202195.db2.gz JLCCBPWLELTJIK-WDEREUQCSA-N 1 0 251.330 -0.275 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001491556906 919203610 /nfs/dbraw/zinc/20/36/10/919203610.db2.gz GGXMDJSFZHFZST-OBPIAQAESA-N 1 0 293.367 -0.889 20 30 CBEDRO C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001491567724 919205973 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C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1ccnc1C ZINC001491675485 919250869 /nfs/dbraw/zinc/25/08/69/919250869.db2.gz UKMROHIJBIXDNT-LLVKDONJSA-N 1 0 293.371 -0.412 20 30 CBEDRO C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001491684918 919252065 /nfs/dbraw/zinc/25/20/65/919252065.db2.gz QQJUHCFLMFQIAP-ZJUUUORDSA-N 1 0 258.343 -0.709 20 30 CBEDRO COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)C(N)=O ZINC001491698970 919254532 /nfs/dbraw/zinc/25/45/32/919254532.db2.gz NTDRNAKDIOGTON-QWHCGFSZSA-N 1 0 297.399 -0.122 20 30 CBEDRO C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001491685532 919257765 /nfs/dbraw/zinc/25/77/65/919257765.db2.gz FHFYYYTVOLMHDH-QWRGUYRKSA-N 1 0 261.329 -0.432 20 30 CBEDRO COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001491718587 919263079 /nfs/dbraw/zinc/26/30/79/919263079.db2.gz NEUPGLULYQTFIE-LBPRGKRZSA-N 1 0 291.355 -0.422 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001491717693 919263386 /nfs/dbraw/zinc/26/33/86/919263386.db2.gz GEZQUWNHOVUTCX-MNOVXSKESA-N 1 0 262.313 -0.914 20 30 CBEDRO C#CC[NH2+][C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001491725198 919264423 /nfs/dbraw/zinc/26/44/23/919264423.db2.gz CDNIVDRXSNWUHU-LBPRGKRZSA-N 1 0 278.356 -0.385 20 30 CBEDRO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCF)C1 ZINC001491744842 919266544 /nfs/dbraw/zinc/26/65/44/919266544.db2.gz CYSGMEHSGMVQRP-NSHDSACASA-N 1 0 269.320 -0.324 20 30 CBEDRO CC#CC[NH2+][C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001491762024 919268107 /nfs/dbraw/zinc/26/81/07/919268107.db2.gz XOUHVAHGOSILDX-NSHDSACASA-N 1 0 292.339 -0.858 20 30 CBEDRO C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001491783159 919274701 /nfs/dbraw/zinc/27/47/01/919274701.db2.gz VCKRRCPILGUPCQ-AAEUAGOBSA-N 1 0 265.357 -0.028 20 30 CBEDRO C#CC[NH2+]C[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001491800360 919280869 /nfs/dbraw/zinc/28/08/69/919280869.db2.gz JJSXPJQLPNXSCL-QWHCGFSZSA-N 1 0 266.341 -0.137 20 30 CBEDRO C#CCC[NH2+]C[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001491797742 919280909 /nfs/dbraw/zinc/28/09/09/919280909.db2.gz LUKIBYVYOGLCJR-CYBMUJFWSA-N 1 0 277.368 -0.074 20 30 CBEDRO C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001491802870 919281069 /nfs/dbraw/zinc/28/10/69/919281069.db2.gz PLLHVIYMDBCCKB-VXGBXAGGSA-N 1 0 297.355 -0.265 20 30 CBEDRO C#CC[NH2+]C[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001491800359 919281399 /nfs/dbraw/zinc/28/13/99/919281399.db2.gz JJSXPJQLPNXSCL-OLZOCXBDSA-N 1 0 266.341 -0.137 20 30 CBEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491800918 919281902 /nfs/dbraw/zinc/28/19/02/919281902.db2.gz SYQNKUOCDFBHHP-NEPJUHHUSA-N 1 0 281.356 -0.791 20 30 CBEDRO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001491793626 919282172 /nfs/dbraw/zinc/28/21/72/919282172.db2.gz CTZDJAMPIBEIBN-SNVBAGLBSA-N 1 0 289.339 -0.316 20 30 CBEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491800195 919282406 /nfs/dbraw/zinc/28/24/06/919282406.db2.gz GKDDDDIDMPRXKT-LBPRGKRZSA-N 1 0 281.356 -0.790 20 30 CBEDRO 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PLGNXOAYINYZIH-LBPRGKRZSA-N 1 0 295.387 -0.842 20 30 CBEDRO C=CCOCC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001494730565 919784113 /nfs/dbraw/zinc/78/41/13/919784113.db2.gz OOJOVVUTJMECTK-NEPJUHHUSA-N 1 0 283.372 -0.238 20 30 CBEDRO CC#CC[N@H+]1CC[C@H](N(C)C(=O)CCNC(=O)COC)C1 ZINC001494825437 919797543 /nfs/dbraw/zinc/79/75/43/919797543.db2.gz OKJSUJGXEZWNQC-ZDUSSCGKSA-N 1 0 295.383 -0.305 20 30 CBEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)COCc2nncn2C)C1 ZINC001494856777 919802869 /nfs/dbraw/zinc/80/28/69/919802869.db2.gz PNGRUCLDRKQLFF-LBPRGKRZSA-N 1 0 291.355 -0.502 20 30 CBEDRO CC[C@H](CNC(=O)[C@H](C)C#N)[NH2+]CC(=O)NC(=O)NC ZINC001494953827 919823223 /nfs/dbraw/zinc/82/32/23/919823223.db2.gz OEFSEYSHPBDROO-RKDXNWHRSA-N 1 0 283.332 -0.914 20 30 CBEDRO CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CC#CCOC ZINC001494960991 919826003 /nfs/dbraw/zinc/82/60/03/919826003.db2.gz YYGMSDJLYFMLHX-ZIAGYGMSSA-N 1 0 297.399 -0.549 20 30 CBEDRO C[C@@H](C#N)C(=O)NC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001495020151 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269.345 -0.791 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)COC(C)C ZINC001496016003 920004317 /nfs/dbraw/zinc/00/43/17/920004317.db2.gz COHHPJAQOUCZQO-LBPRGKRZSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cscn1 ZINC001496019916 920009792 /nfs/dbraw/zinc/00/97/92/920009792.db2.gz JZAQYOFIXUTMMG-SNVBAGLBSA-N 1 0 294.380 -0.057 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)[C@@H](C)C[NH2+]CCS(C)(=O)=O ZINC001496028595 920011344 /nfs/dbraw/zinc/01/13/44/920011344.db2.gz SPUWTVWRJQETLX-ZJUUUORDSA-N 1 0 275.374 -0.373 20 30 CBEDRO C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C#CC1CC1 ZINC001496055596 920020446 /nfs/dbraw/zinc/02/04/46/920020446.db2.gz STKUDEDAHROCKC-NSHDSACASA-N 1 0 276.340 -0.524 20 30 CBEDRO C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)c1ccsn1 ZINC001496093705 920025092 /nfs/dbraw/zinc/02/50/92/920025092.db2.gz WOMXZDLPZNTQMG-SECBINFHSA-N 1 0 295.368 -0.167 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001496090139 920026033 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C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001496426879 920070782 /nfs/dbraw/zinc/07/07/82/920070782.db2.gz DAFXGJOBURIXJW-NEPJUHHUSA-N 1 0 276.344 -0.477 20 30 CBEDRO C#CCC[NH2+][C@@H](CNC(=O)CCn1cnnn1)C(C)C ZINC001496616436 920099178 /nfs/dbraw/zinc/09/91/78/920099178.db2.gz KUCIHANDTMYMQP-LBPRGKRZSA-N 1 0 278.360 -0.183 20 30 CBEDRO C=CCNC(=O)CN(C)CCN(C)C(=O)c1ncn(C)n1 ZINC001496696489 920114796 /nfs/dbraw/zinc/11/47/96/920114796.db2.gz NBAPXMQNZQZPOE-UHFFFAOYSA-N 1 0 294.359 -0.879 20 30 CBEDRO COCC#CC[N@H+](C)CCN(C)C(=O)[C@H](C)n1cncn1 ZINC001496688611 920114962 /nfs/dbraw/zinc/11/49/62/920114962.db2.gz BSIJCDNCMSRNTM-ZDUSSCGKSA-N 1 0 293.371 -0.121 20 30 CBEDRO C#CCC[N@@H+](C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001496770218 920128560 /nfs/dbraw/zinc/12/85/60/920128560.db2.gz DOFALVTZHAYHRH-UHFFFAOYSA-N 1 0 289.401 -0.531 20 30 CBEDRO C=CCOCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(N)=O)C1 ZINC001496858980 920143944 /nfs/dbraw/zinc/14/39/44/920143944.db2.gz OGCHTZAPCQIAGG-VXGBXAGGSA-N 1 0 281.356 -0.403 20 30 CBEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CCCC1 ZINC001496929863 920155223 /nfs/dbraw/zinc/15/52/23/920155223.db2.gz VEHOYVPWMYNGPP-LBPRGKRZSA-N 1 0 296.371 -0.727 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)F ZINC001496931491 920156118 /nfs/dbraw/zinc/15/61/18/920156118.db2.gz GBBYELGZSLUSNW-VHSXEESVSA-N 1 0 289.351 -0.508 20 30 CBEDRO CCO[C@@H](C)C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496947089 920167763 /nfs/dbraw/zinc/16/77/63/920167763.db2.gz UWZRMZTWCODXHI-NWDGAFQWSA-N 1 0 272.345 -0.872 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001496947974 920169637 /nfs/dbraw/zinc/16/96/37/920169637.db2.gz BPVUAEDQKZBBHC-QWHCGFSZSA-N 1 0 284.356 -0.871 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001496951765 920173899 /nfs/dbraw/zinc/17/38/99/920173899.db2.gz JLDCUOOBIVQQDA-GFCCVEGCSA-N 1 0 294.355 -0.941 20 30 CBEDRO CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N ZINC001496956225 920175639 /nfs/dbraw/zinc/17/56/39/920175639.db2.gz YWTVPEMFSVMCCW-ONGXEEELSA-N 1 0 280.332 -0.976 20 30 CBEDRO CC(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001496977330 920192083 /nfs/dbraw/zinc/19/20/83/920192083.db2.gz MFCLJUOIJZOZPW-CYBMUJFWSA-N 1 0 278.356 -0.354 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C)nnc1C ZINC001496987428 920194103 /nfs/dbraw/zinc/19/41/03/920194103.db2.gz SHDBYAHYQICJKX-LLVKDONJSA-N 1 0 262.313 -0.593 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001496991231 920194433 /nfs/dbraw/zinc/19/44/33/920194433.db2.gz PXSHBBAAUXMYLA-QMMMGPOBSA-N 1 0 276.300 -0.781 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2c1OCCO2 ZINC001496990490 920194469 /nfs/dbraw/zinc/19/44/69/920194469.db2.gz JKPVOBLBCCNCSZ-NSHDSACASA-N 1 0 290.319 -0.229 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccnn1CCC ZINC001496987453 920195112 /nfs/dbraw/zinc/19/51/12/920195112.db2.gz SMXFNPHSJPTYTP-LBPRGKRZSA-N 1 0 278.356 -0.003 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001496993406 920196712 /nfs/dbraw/zinc/19/67/12/920196712.db2.gz CQFKZBNLUXJJCT-SNVBAGLBSA-N 1 0 251.286 -0.775 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cncc(COC)c1 ZINC001496999591 920200939 /nfs/dbraw/zinc/20/09/39/920200939.db2.gz WAJLMXOMABUWEQ-CQSZACIVSA-N 1 0 291.351 -0.068 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001496998178 920201437 /nfs/dbraw/zinc/20/14/37/920201437.db2.gz MDVUEEGVFKPHKK-LLVKDONJSA-N 1 0 292.339 -0.883 20 30 CBEDRO C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CCS(C)(=O)=O ZINC001497000383 920202747 /nfs/dbraw/zinc/20/27/47/920202747.db2.gz AXAMSIWKFXKGMK-SECBINFHSA-N 1 0 298.792 -0.760 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001497008311 920203943 /nfs/dbraw/zinc/20/39/43/920203943.db2.gz HJCCJNHHKXKELO-SNVBAGLBSA-N 1 0 276.340 -0.398 20 30 CBEDRO N#CCNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001497005093 920205962 /nfs/dbraw/zinc/20/59/62/920205962.db2.gz ZMMMXLSTXGBOLK-LBPRGKRZSA-N 1 0 280.372 -0.547 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C(N)=O)c1 ZINC001497012982 920207167 /nfs/dbraw/zinc/20/71/67/920207167.db2.gz VJMJGQFFYYYBNM-LBPRGKRZSA-N 1 0 275.308 -0.901 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCN1C(=O)CCC1=O ZINC001497012006 920207223 /nfs/dbraw/zinc/20/72/23/920207223.db2.gz GMVUXSUNHLMRAX-LLVKDONJSA-N 1 0 297.355 -0.832 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C(F)(F)F ZINC001497032056 920215041 /nfs/dbraw/zinc/21/50/41/920215041.db2.gz CCSGAFZSUTYVAT-SFYZADRCSA-N 1 0 252.236 -0.115 20 30 CBEDRO C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2n[nH]cc21 ZINC001497031968 920215179 /nfs/dbraw/zinc/21/51/79/920215179.db2.gz GAISEPIHTYQSIN-JTQLQIEISA-N 1 0 272.308 -0.124 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cnn2cccnc12 ZINC001497035029 920220348 /nfs/dbraw/zinc/22/03/48/920220348.db2.gz ZTFSNMKSGVFXKK-LLVKDONJSA-N 1 0 287.323 -0.567 20 30 CBEDRO CC#CCCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001497038277 920220955 /nfs/dbraw/zinc/22/09/55/920220955.db2.gz RLPMMXVZVCMXTI-NEPJUHHUSA-N 1 0 281.356 -0.865 20 30 CBEDRO C#CC[NH2+]C[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001497038566 920221300 /nfs/dbraw/zinc/22/13/00/920221300.db2.gz BRJDRPJJMOMAHD-SNVBAGLBSA-N 1 0 250.302 -0.958 20 30 CBEDRO C#CCC[NH2+]C[C@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001497042609 920222802 /nfs/dbraw/zinc/22/28/02/920222802.db2.gz YHMARPYHJFKAHV-ZDUSSCGKSA-N 1 0 291.351 -0.190 20 30 CBEDRO C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001497046596 920227197 /nfs/dbraw/zinc/22/71/97/920227197.db2.gz NXCYTCVXRSGQBB-QMMMGPOBSA-N 1 0 256.281 -0.195 20 30 CBEDRO C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001497050219 920228902 /nfs/dbraw/zinc/22/89/02/920228902.db2.gz WTFMOGZZQJSKHN-JTQLQIEISA-N 1 0 269.345 -0.715 20 30 CBEDRO CC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCOCC1 ZINC001497078654 920239613 /nfs/dbraw/zinc/23/96/13/920239613.db2.gz ZKTHYBABVZSSIM-CYBMUJFWSA-N 1 0 297.399 -0.813 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001497075455 920240885 /nfs/dbraw/zinc/24/08/85/920240885.db2.gz IUTZDJFAFOGLOI-NSHDSACASA-N 1 0 271.361 -0.456 20 30 CBEDRO C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001497082855 920242902 /nfs/dbraw/zinc/24/29/02/920242902.db2.gz RHONZZLDUNSRIT-GXTWGEPZSA-N 1 0 292.383 -0.311 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001497081197 920243253 /nfs/dbraw/zinc/24/32/53/920243253.db2.gz QMDQJEBQROSBOW-OCCSQVGLSA-N 1 0 284.356 -0.871 20 30 CBEDRO C=CCC[NH2+]C[C@H](O)CNC(=O)c1nc2ncccn2n1 ZINC001497079176 920243478 /nfs/dbraw/zinc/24/34/78/920243478.db2.gz VQYGCCFNCKUWGS-JTQLQIEISA-N 1 0 290.327 -0.619 20 30 CBEDRO C=CC[NH2+]C[C@H](O)CNC(=O)CS(=O)(=O)C(C)C ZINC001497110654 920248484 /nfs/dbraw/zinc/24/84/84/920248484.db2.gz NFUVDYICGKIUNI-JTQLQIEISA-N 1 0 278.374 -0.938 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001497099842 920249098 /nfs/dbraw/zinc/24/90/98/920249098.db2.gz VRELBYCJPKCIDE-KBPBESRZSA-N 1 0 287.363 -0.114 20 30 CBEDRO C=CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C(=O)NC)c1 ZINC001497119280 920252247 /nfs/dbraw/zinc/25/22/47/920252247.db2.gz SVEJPVIYVJRMGB-CYBMUJFWSA-N 1 0 291.351 -0.088 20 30 CBEDRO C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001497116644 920253872 /nfs/dbraw/zinc/25/38/72/920253872.db2.gz HDEIVELGXBGRPA-GHMZBOCLSA-N 1 0 290.385 -0.794 20 30 CBEDRO CC#CC[NH2+]C[C@H](O)CNC(=O)c1nn(CC)nc1C ZINC001497125817 920255858 /nfs/dbraw/zinc/25/58/58/920255858.db2.gz JKPYQDTUTPOHTC-NSHDSACASA-N 1 0 279.344 -0.690 20 30 CBEDRO C#CCC[NH2+]CC[C@@H](C)NC(=O)CNC(=O)OC ZINC001497149451 920261450 /nfs/dbraw/zinc/26/14/50/920261450.db2.gz DJKBNSXGDFOAQV-SNVBAGLBSA-N 1 0 255.318 -0.150 20 30 CBEDRO C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001497161987 920266294 /nfs/dbraw/zinc/26/62/94/920266294.db2.gz QWBARHBVYLVXLZ-NSHDSACASA-N 1 0 291.355 -0.814 20 30 CBEDRO COCC#CC[NH2+]CC[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001497240360 920273771 /nfs/dbraw/zinc/27/37/71/920273771.db2.gz CQDBHKNEZIRRIH-LLVKDONJSA-N 1 0 294.355 -0.127 20 30 CBEDRO C#CCC[NH2+]CC[C@H](C)NC(=O)CCn1cnnn1 ZINC001497299874 920280449 /nfs/dbraw/zinc/28/04/49/920280449.db2.gz VQTVICOHMPJXEL-NSHDSACASA-N 1 0 264.333 -0.429 20 30 CBEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001497298555 920280311 /nfs/dbraw/zinc/28/03/11/920280311.db2.gz HLBYDYSEGNCBBW-LLVKDONJSA-N 1 0 296.371 -0.011 20 30 CBEDRO C[C@H](CCNCC#N)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497323867 920283910 /nfs/dbraw/zinc/28/39/10/920283910.db2.gz QZDYRZHAYJGPOU-QWHCGFSZSA-N 1 0 282.388 -0.037 20 30 CBEDRO C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001497333676 920283985 /nfs/dbraw/zinc/28/39/85/920283985.db2.gz UDZALTZCUSPXQS-NEPJUHHUSA-N 1 0 275.356 -0.042 20 30 CBEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCNCC#N ZINC001497323866 920285409 /nfs/dbraw/zinc/28/54/09/920285409.db2.gz QZDYRZHAYJGPOU-OLZOCXBDSA-N 1 0 282.388 -0.037 20 30 CBEDRO CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C1CCC1 ZINC001497339365 920289573 /nfs/dbraw/zinc/28/95/73/920289573.db2.gz TWJHXFKLBFGKIO-UHFFFAOYSA-N 1 0 266.345 -0.136 20 30 CBEDRO C#CCNC(=O)C[NH2+]CCN(CC)C(=O)c1cnccn1 ZINC001497349441 920290717 /nfs/dbraw/zinc/29/07/17/920290717.db2.gz ZQGRUZRNHVLNAV-UHFFFAOYSA-N 1 0 289.339 -0.722 20 30 CBEDRO CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1COCCO1 ZINC001497360315 920295813 /nfs/dbraw/zinc/29/58/13/920295813.db2.gz MWPBJBZXRAJORT-CYBMUJFWSA-N 1 0 284.356 -0.510 20 30 CBEDRO C#CC[NH2+]CCN(CC)C(=O)C[C@@H](C)NC(N)=O ZINC001497395207 920300868 /nfs/dbraw/zinc/30/08/68/920300868.db2.gz VGYIADVPMRLFDG-SNVBAGLBSA-N 1 0 254.334 -0.495 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001497416731 920304960 /nfs/dbraw/zinc/30/49/60/920304960.db2.gz HCUVXMJDGTVLCF-UHFFFAOYSA-N 1 0 280.328 -0.427 20 30 CBEDRO C=CC[NH2+]CCN(CC)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001497428049 920306308 /nfs/dbraw/zinc/30/63/08/920306308.db2.gz OEPGNBQYDTUKPQ-LBPRGKRZSA-N 1 0 291.355 -0.010 20 30 CBEDRO C#CCC[NH2+]CCN(CC)C(=O)CCN1C(=O)CCC1=O ZINC001497417241 920307342 /nfs/dbraw/zinc/30/73/42/920307342.db2.gz MCEKHVWAYMQXQV-UHFFFAOYSA-N 1 0 293.367 -0.013 20 30 CBEDRO C=CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C1CC1 ZINC001497511187 920317622 /nfs/dbraw/zinc/31/76/22/920317622.db2.gz IWXLNVVYZWWOOM-ONEGZZNKSA-N 1 0 294.355 -0.330 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)Cc1cnn(C)c1 ZINC001497548788 920330172 /nfs/dbraw/zinc/33/01/72/920330172.db2.gz ZVUPEAPSNALTDI-ARJAWSKDSA-N 1 0 290.367 -0.126 20 30 CBEDRO CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C)C#N ZINC001497546905 920331736 /nfs/dbraw/zinc/33/17/36/920331736.db2.gz FYSANJWKKFDIFG-AWAZDUCLSA-N 1 0 252.318 -0.457 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001497564341 920338664 /nfs/dbraw/zinc/33/86/64/920338664.db2.gz LVQKCOATEIGCNJ-YWVDXFKGSA-N 1 0 293.367 -0.576 20 30 CBEDRO C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C)NC(N)=O ZINC001497568148 920338879 /nfs/dbraw/zinc/33/88/79/920338879.db2.gz YSTLJRQZSXTKCG-PORFMDCZSA-N 1 0 252.318 -0.672 20 30 CBEDRO C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]CC(=O)N(C)C ZINC001497572183 920338925 /nfs/dbraw/zinc/33/89/25/920338925.db2.gz JYBLKTMPIRBZGJ-LMVHVUTASA-N 1 0 283.372 -0.336 20 30 CBEDRO COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCNC(=O)C1 ZINC001497564342 920339920 /nfs/dbraw/zinc/33/99/20/920339920.db2.gz LVQKCOATEIGCNJ-ZRMMWKCHSA-N 1 0 293.367 -0.576 20 30 CBEDRO C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)c1cncnc1 ZINC001497566598 920342090 /nfs/dbraw/zinc/34/20/90/920342090.db2.gz NRVVJUINOJXUNK-ARJAWSKDSA-N 1 0 287.323 -0.898 20 30 CBEDRO N#Cc1cc(C[NH2+]C/C=C/CNC(=O)C(N)=O)ccc1F ZINC001497667319 920361890 /nfs/dbraw/zinc/36/18/90/920361890.db2.gz DBOMFRUBAUSYCW-OWOJBTEDSA-N 1 0 290.298 -0.055 20 30 CBEDRO C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497650988 920364431 /nfs/dbraw/zinc/36/44/31/920364431.db2.gz SZKXIFPBSSOTRM-QRGHLMKCSA-N 1 0 266.345 -0.152 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)CCc1cn[nH]n1 ZINC001497681387 920365414 /nfs/dbraw/zinc/36/54/14/920365414.db2.gz QUMIIAXPCIFPDO-NSCUHMNNSA-N 1 0 291.355 -0.351 20 30 CBEDRO COCC#CC[NH2+]C/C=C/CNC(=O)Cc1cncn1C ZINC001497732064 920378038 /nfs/dbraw/zinc/37/80/38/920378038.db2.gz QKFQZEVJCCFVFE-ONEGZZNKSA-N 1 0 290.367 -0.126 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccnn1C ZINC001497794573 920390371 /nfs/dbraw/zinc/39/03/71/920390371.db2.gz NVSOZKCLXXVXKZ-MNOVXSKESA-N 1 0 293.371 -0.181 20 30 CBEDRO COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001497807368 920394456 /nfs/dbraw/zinc/39/44/56/920394456.db2.gz RYIRETGEQNIOAQ-LLVKDONJSA-N 1 0 264.329 -0.222 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001497838650 920406250 /nfs/dbraw/zinc/40/62/50/920406250.db2.gz CMZLRYFQYKJJBR-SNVBAGLBSA-N 1 0 272.370 -0.461 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc(F)c[nH]1 ZINC001497857994 920411322 /nfs/dbraw/zinc/41/13/22/920411322.db2.gz XANRKOXCPDIMSQ-SECBINFHSA-N 1 0 280.303 -0.389 20 30 CBEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001497920401 920422567 /nfs/dbraw/zinc/42/25/67/920422567.db2.gz RYKDWDROWLWUGA-NXEZZACHSA-N 1 0 275.374 -0.958 20 30 CBEDRO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1nc[nH]n1 ZINC001497961885 920428164 /nfs/dbraw/zinc/42/81/64/920428164.db2.gz RVPHEBZOYDDMDY-ZJUUUORDSA-N 1 0 294.359 -0.868 20 30 CBEDRO C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001497960331 920431065 /nfs/dbraw/zinc/43/10/65/920431065.db2.gz BFFPKDSULCXQRO-GHMZBOCLSA-N 1 0 266.345 -0.353 20 30 CBEDRO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)COC)C1=O ZINC001498000226 920436695 /nfs/dbraw/zinc/43/66/95/920436695.db2.gz XDYDVRXNYXJNEJ-WDEREUQCSA-N 1 0 269.345 -0.486 20 30 CBEDRO C#CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001497999888 920436799 /nfs/dbraw/zinc/43/67/99/920436799.db2.gz RDPYKKAFEYSCRD-NXEZZACHSA-N 1 0 265.313 -0.843 20 30 CBEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccncc1 ZINC001498005013 920438118 /nfs/dbraw/zinc/43/81/18/920438118.db2.gz QHNMCLJPDSWMHY-NWDGAFQWSA-N 1 0 288.351 -0.073 20 30 CBEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCOC ZINC001498002592 920438482 /nfs/dbraw/zinc/43/84/82/920438482.db2.gz OYAIVLQMBDCCPD-QWRGUYRKSA-N 1 0 269.345 -0.745 20 30 CBEDRO C=CCCOCC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001497995317 920438780 /nfs/dbraw/zinc/43/87/80/920438780.db2.gz ZABDUMALPYZIPG-VXGBXAGGSA-N 1 0 283.372 -0.048 20 30 CBEDRO COCC#CC[NH2+]C[C@H](C)NC(=O)c1cncnc1 ZINC001498034473 920454487 /nfs/dbraw/zinc/45/44/87/920454487.db2.gz YTCONKPQYHRGLY-NSHDSACASA-N 1 0 262.313 -0.166 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ncc[nH]1 ZINC001498039731 920458780 /nfs/dbraw/zinc/45/87/80/920458780.db2.gz KDQGDGAGZNTNRK-VHSXEESVSA-N 1 0 279.344 -0.192 20 30 CBEDRO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C#CC(C)(C)C ZINC001498040398 920459310 /nfs/dbraw/zinc/45/93/10/920459310.db2.gz LEUCQENDNFDSCB-WDEREUQCSA-N 1 0 293.367 -0.065 20 30 CBEDRO C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001498051977 920463614 /nfs/dbraw/zinc/46/36/14/920463614.db2.gz CXEYWVAFWYQOIC-NSHDSACASA-N 1 0 291.355 -0.814 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001498071304 920468144 /nfs/dbraw/zinc/46/81/44/920468144.db2.gz VHTAYFLBNQATAU-JTQLQIEISA-N 1 0 272.312 -0.145 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](CCC)S(N)(=O)=O ZINC001498078407 920470425 /nfs/dbraw/zinc/47/04/25/920470425.db2.gz VTPKTGJLIHAQOZ-WDEREUQCSA-N 1 0 289.401 -0.439 20 30 CBEDRO CC#CC[NH2+]C[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001498133960 920497056 /nfs/dbraw/zinc/49/70/56/920497056.db2.gz KUXZAUGHOICWRX-NSHDSACASA-N 1 0 274.386 -0.071 20 30 CBEDRO C#CCC[NH2+]C[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001498141184 920500593 /nfs/dbraw/zinc/50/05/93/920500593.db2.gz VSOXBMBBALLLAV-VIFPVBQESA-N 1 0 265.313 -0.843 20 30 CBEDRO C#CC[NH2+]C[C@H](C)NC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001498156717 920503520 /nfs/dbraw/zinc/50/35/20/920503520.db2.gz IUMOUJCAPWSRFE-FZMZJTMJSA-N 1 0 265.357 -0.028 20 30 CBEDRO C[C@H](C#N)C(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CNC1=O ZINC001498247491 920531102 /nfs/dbraw/zinc/53/11/02/920531102.db2.gz MWSLQYUMLAMNPA-NXEZZACHSA-N 1 0 295.343 -0.866 20 30 CBEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCO ZINC001498280044 920541671 /nfs/dbraw/zinc/54/16/71/920541671.db2.gz IEXHJPXFGOAHST-NWDGAFQWSA-N 1 0 256.346 -0.156 20 30 CBEDRO C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001498299455 920544860 /nfs/dbraw/zinc/54/48/60/920544860.db2.gz KFPWTLRGIIBGPW-NEPJUHHUSA-N 1 0 265.357 -0.076 20 30 CBEDRO C=CCOCC(=O)N1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001498324189 920553881 /nfs/dbraw/zinc/55/38/81/920553881.db2.gz BCVIVWDNDZSXCZ-UHFFFAOYSA-N 1 0 283.372 -0.142 20 30 CBEDRO C[C@H](C#N)C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498382968 920568837 /nfs/dbraw/zinc/56/88/37/920568837.db2.gz AJIXULLIFUFKAN-CKYFFXLPSA-N 1 0 278.356 -0.187 20 30 CBEDRO C[NH+](C)CCC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001498389759 920574208 /nfs/dbraw/zinc/57/42/08/920574208.db2.gz AINCWDUAKWOXNN-UHFFFAOYSA-N 1 0 289.339 -0.221 20 30 CBEDRO CN(CCC[NH2+]CC(=O)NCC#N)C(=O)c1ccccn1 ZINC001498504361 920595928 /nfs/dbraw/zinc/59/59/28/920595928.db2.gz IPUTXEVZBSTJPM-UHFFFAOYSA-N 1 0 289.339 -0.227 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001498520913 920598587 /nfs/dbraw/zinc/59/85/87/920598587.db2.gz PMOITYJWEHSXDU-GHMZBOCLSA-N 1 0 252.314 -0.133 20 30 CBEDRO COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001498519350 920599894 /nfs/dbraw/zinc/59/98/94/920599894.db2.gz BLKMNOPPCOHUNW-GFCCVEGCSA-N 1 0 281.356 -0.647 20 30 CBEDRO C#CCC[NH2+]CCCN(C)C(=O)CNC(=O)C1CC1 ZINC001498524970 920601938 /nfs/dbraw/zinc/60/19/38/920601938.db2.gz YVPYMBNZTZXHKU-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C=CCCC(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001498522064 920602571 /nfs/dbraw/zinc/60/25/71/920602571.db2.gz ZNYUJJIGJRTQGO-SNVBAGLBSA-N 1 0 284.360 -0.026 20 30 CBEDRO COC[C@H](O)C[NH2+]CCCN(C)C(=O)c1cc(C#N)c[nH]1 ZINC001498532135 920603296 /nfs/dbraw/zinc/60/32/96/920603296.db2.gz SOSNWYGHGWDLGH-GFCCVEGCSA-N 1 0 294.355 -0.055 20 30 CBEDRO C[C@H](C#N)C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001498525590 920603341 /nfs/dbraw/zinc/60/33/41/920603341.db2.gz CLMQTNGKUCARJI-SNVBAGLBSA-N 1 0 265.317 -0.776 20 30 CBEDRO COC[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H](C)C#N ZINC001498525793 920604128 /nfs/dbraw/zinc/60/41/28/920604128.db2.gz GGZCJMBZHSBLOU-QWRGUYRKSA-N 1 0 257.334 -0.409 20 30 CBEDRO CCNC(=O)C[NH2+]CCCN(C)C(=O)C#CC1CC1 ZINC001498545673 920606193 /nfs/dbraw/zinc/60/61/93/920606193.db2.gz KLQOJOYZBNYGCG-UHFFFAOYSA-N 1 0 265.357 -0.026 20 30 CBEDRO C#CCO[C@@H](C)C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC ZINC001498553505 920610529 /nfs/dbraw/zinc/61/05/29/920610529.db2.gz XAXHNSCCIJZQIZ-RYUDHWBXSA-N 1 0 283.372 -0.403 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001498592060 920615086 /nfs/dbraw/zinc/61/50/86/920615086.db2.gz MUONBBUEUPUMDR-SNVBAGLBSA-N 1 0 252.318 -0.919 20 30 CBEDRO C#CC[NH2+]CCCN(C)C(=O)[C@@H](CC)NC(C)=O ZINC001498616803 920620431 /nfs/dbraw/zinc/62/04/31/920620431.db2.gz 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C[NH+]1CCN(CCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000180083427 189236878 /nfs/dbraw/zinc/23/68/78/189236878.db2.gz PKKPVFTXLPSLEL-UHFFFAOYSA-N 1 0 261.329 -0.136 20 30 CBEDRO CNC(=O)C1C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000184785034 189395431 /nfs/dbraw/zinc/39/54/31/189395431.db2.gz KMBMBVKYZOTSAS-ZDUSSCGKSA-N 1 0 289.335 -0.024 20 30 CBEDRO C=C(CC)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563899464 328711461 /nfs/dbraw/zinc/71/14/61/328711461.db2.gz XGPDGHYYZYEIPV-WDEREUQCSA-N 1 0 266.345 -0.094 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000491716336 332306205 /nfs/dbraw/zinc/30/62/05/332306205.db2.gz TTYWKSYNSKOJEB-UHFFFAOYSA-N 1 0 289.401 -0.615 20 30 CBEDRO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)NCC[NH+](C)C ZINC000552303432 283979307 /nfs/dbraw/zinc/97/93/07/283979307.db2.gz PPYAQUUGSMOVEQ-VIFPVBQESA-N 1 0 277.328 -0.318 20 30 CBEDRO CN(CCC#N)S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000574276816 335006408 /nfs/dbraw/zinc/00/64/08/335006408.db2.gz 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ZINC000045914675 220192367 /nfs/dbraw/zinc/19/23/67/220192367.db2.gz JMSRFPIGIILWOT-UHFFFAOYSA-N 1 0 279.344 -0.202 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)CC[NH2+]C)CC1 ZINC000043604917 220193157 /nfs/dbraw/zinc/19/31/57/220193157.db2.gz UAGQWTPBGQIMKL-UHFFFAOYSA-N 1 0 268.361 -0.958 20 30 CBEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CCO)CC1 ZINC000042978592 220193613 /nfs/dbraw/zinc/19/36/13/220193613.db2.gz SYUCGBDOTUFNLG-AWEZNQCLSA-N 1 0 282.388 -0.349 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CCC[C@H](C[NH2+]C)C1 ZINC000040599059 220193683 /nfs/dbraw/zinc/19/36/83/220193683.db2.gz PBJAIUOYIOMDOD-LLVKDONJSA-N 1 0 268.361 -0.070 20 30 CBEDRO C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000054340795 220194374 /nfs/dbraw/zinc/19/43/74/220194374.db2.gz SQVVHFFKEVYFSR-NSHDSACASA-N 1 0 268.361 -0.972 20 30 CBEDRO C=CC[NH+]1CCC(NC(=O)NC(CO)CO)CC1 ZINC000074132523 220197955 /nfs/dbraw/zinc/19/79/55/220197955.db2.gz WAOGQTJZDYELIW-UHFFFAOYSA-N 1 0 257.334 -0.711 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000081553260 220199156 /nfs/dbraw/zinc/19/91/56/220199156.db2.gz QKRPKPQEZDNBAS-SECBINFHSA-N 1 0 270.333 -0.688 20 30 CBEDRO C[NH+]=C(NCCCNS(C)(=O)=O)NCc1ccco1 ZINC000103337817 220200529 /nfs/dbraw/zinc/20/05/29/220200529.db2.gz FYZQANUEKFDXHS-UHFFFAOYSA-N 1 0 288.373 -0.116 20 30 CBEDRO C[NH+]=C(NCC(=O)NCCOC)NCc1ccco1 ZINC000103337718 220200648 /nfs/dbraw/zinc/20/06/48/220200648.db2.gz NMBYRNPBOAWRQU-UHFFFAOYSA-N 1 0 268.317 -0.293 20 30 CBEDRO CC[NH+]=C(NC[C@H](C)C(=O)OC)N1CCN(C(C)=O)CC1 ZINC000103894269 220201177 /nfs/dbraw/zinc/20/11/77/220201177.db2.gz GKNYNMAUEHOGIV-NSHDSACASA-N 1 0 298.387 -0.075 20 30 CBEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513866 220205145 /nfs/dbraw/zinc/20/51/45/220205145.db2.gz HIODFTZFQNEZAC-LLVKDONJSA-N 1 0 268.361 -0.118 20 30 CBEDRO C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1ccco1 ZINC000114092175 220205195 /nfs/dbraw/zinc/20/51/95/220205195.db2.gz LNFLLAVNUHUVQO-UHFFFAOYSA-N 1 0 288.373 -0.164 20 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BNPPEMIIDNSWOJ-GFCCVEGCSA-N 1 0 281.360 -0.249 20 30 CBEDRO CCNC(NC[C@@H]1CCN(S(C)(=O)=O)C1)=[NH+]CC ZINC000133327235 220210693 /nfs/dbraw/zinc/21/06/93/220210693.db2.gz LFFFUHPTVXWDFR-JTQLQIEISA-N 1 0 276.406 -0.157 20 30 CBEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(=O)NCC#N ZINC000377035883 373573267 /nfs/dbraw/zinc/57/32/67/373573267.db2.gz VIHUFSHVZMGZSS-NEPJUHHUSA-N 1 0 293.371 -0.106 20 30 CBEDRO C=C[C@](C)(O)CC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413898171 373623171 /nfs/dbraw/zinc/62/31/71/373623171.db2.gz ICRATGWDRBAZGV-FZMZJTMJSA-N 1 0 284.356 -0.123 20 30 CBEDRO C[C@@H](CC#N)N(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000177370229 220221975 /nfs/dbraw/zinc/22/19/75/220221975.db2.gz SZRUXSWWZXBMGU-VIFPVBQESA-N 1 0 250.302 -0.182 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000178346801 220223237 /nfs/dbraw/zinc/22/32/37/220223237.db2.gz AIAUULJRIKQAPN-JTQLQIEISA-N 1 0 255.318 -0.034 20 30 CBEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000162836790 220217759 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COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)NCC#N ZINC000428782251 373670299 /nfs/dbraw/zinc/67/02/99/373670299.db2.gz GPOLJCUJGPJZKE-LLVKDONJSA-N 1 0 257.290 -0.816 20 30 CBEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CO)[C@@H](O)C2)C1=O ZINC000515529836 373791986 /nfs/dbraw/zinc/79/19/86/373791986.db2.gz KHOMQUFUEROQIH-WOPDTQHZSA-N 1 0 254.330 -0.552 20 30 CBEDRO C#CC[N@H+](C)CCCNC(=O)CN1CCOCC1 ZINC000491265524 261394158 /nfs/dbraw/zinc/39/41/58/261394158.db2.gz LFBGOLCKRFGOOH-UHFFFAOYSA-N 1 0 253.346 -0.610 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)N(C)Cc1ccon1 ZINC000261775846 220243843 /nfs/dbraw/zinc/24/38/43/220243843.db2.gz OOORVQFBTGORGJ-UHFFFAOYSA-N 1 0 253.306 -0.230 20 30 CBEDRO C#CCCNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261691268 220244236 /nfs/dbraw/zinc/24/42/36/220244236.db2.gz IKFFIELXJNCWTL-UHFFFAOYSA-N 1 0 288.355 -0.333 20 30 CBEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1cccc(N(C)C)n1 ZINC000261769975 220244374 /nfs/dbraw/zinc/24/43/74/220244374.db2.gz PEAMGMPQWLAIKR-UHFFFAOYSA-N 1 0 292.387 -0.099 20 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C[C@H]1CN(C(=[NH2+])NC[C@@H](O)C(F)(F)F)CCO1 ZINC000262495732 220253519 /nfs/dbraw/zinc/25/35/19/220253519.db2.gz WKOFYEYBVSHUMC-NKWVEPMBSA-N 1 0 255.240 -0.055 20 30 CBEDRO C[NH+]1CCC(CNC(=O)NCCn2cnc(C#N)n2)CC1 ZINC000548780802 374216095 /nfs/dbraw/zinc/21/60/95/374216095.db2.gz XGZQYSBAMQJSCK-UHFFFAOYSA-N 1 0 291.359 -0.209 20 30 CBEDRO COC(=O)[C@H]1CN(C(=O)NC[C@@H](C)C#N)CC[N@H+](C)C1 ZINC000566665674 374332833 /nfs/dbraw/zinc/33/28/33/374332833.db2.gz CMWPNCJPGDDJDU-WDEREUQCSA-N 1 0 282.344 -0.108 20 30 CBEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000567062603 374333762 /nfs/dbraw/zinc/33/37/62/374333762.db2.gz BQMXMFDBIQGAAJ-ZDUSSCGKSA-N 1 0 286.335 -0.005 20 30 CBEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000644225738 374504754 /nfs/dbraw/zinc/50/47/54/374504754.db2.gz VPNLRCHGHYQOCY-GUBZILKMSA-N 1 0 255.318 -0.843 20 30 CBEDRO CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000645281450 374657091 /nfs/dbraw/zinc/65/70/91/374657091.db2.gz 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583470663 /nfs/dbraw/zinc/47/06/63/583470663.db2.gz DCZOFTOABBNDRI-AWEZNQCLSA-N 1 0 297.403 -0.848 20 30 CBEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](O)Cn1ccnn1 ZINC000849041382 583471178 /nfs/dbraw/zinc/47/11/78/583471178.db2.gz QVCFADMADLOTMH-SNVBAGLBSA-N 1 0 278.316 -0.403 20 30 CBEDRO C[NH+]=C(NCCCCn1cc(C(N)=O)nn1)NC1CC1 ZINC000849043787 583471456 /nfs/dbraw/zinc/47/14/56/583471456.db2.gz VECXHKALLJCKBH-UHFFFAOYSA-N 1 0 279.348 -0.515 20 30 CBEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000849180973 583473329 /nfs/dbraw/zinc/47/33/29/583473329.db2.gz FBNBPYMDHVAKII-UTUOFQBUSA-N 1 0 289.335 -0.652 20 30 CBEDRO CNC(NCc1ccc(OC)c(S(N)(=O)=O)c1)=[NH+]C ZINC000849214804 583473972 /nfs/dbraw/zinc/47/39/72/583473972.db2.gz RSWWKWGJXUJMTI-UHFFFAOYSA-N 1 0 286.357 -0.363 20 30 CBEDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000851679570 583520111 /nfs/dbraw/zinc/52/01/11/583520111.db2.gz CBCJXCHXAWGNKN-JQWIXIFHSA-N 1 0 265.361 -0.024 20 30 CBEDRO 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C=CCOCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861786523 583786619 /nfs/dbraw/zinc/78/66/19/583786619.db2.gz KMORMAAQYKSJKF-SNVBAGLBSA-N 1 0 257.334 -0.499 20 30 CBEDRO C#CCN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000861815016 583788368 /nfs/dbraw/zinc/78/83/68/583788368.db2.gz FVRFSFLUAWMCSE-LLVKDONJSA-N 1 0 263.341 -0.131 20 30 CBEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)N2CCCO2)CC1 ZINC000862083236 583799078 /nfs/dbraw/zinc/79/90/78/583799078.db2.gz DCNRTZSNVPMPNE-UHFFFAOYSA-N 1 0 279.340 -0.388 20 30 CBEDRO C=C(C[NH+](C)C)C(=O)NCCCc1ncnn1C ZINC000862087291 583799644 /nfs/dbraw/zinc/79/96/44/583799644.db2.gz PMERURFQJNANOE-UHFFFAOYSA-N 1 0 251.334 -0.018 20 30 CBEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000863588852 583847844 /nfs/dbraw/zinc/84/78/44/583847844.db2.gz IASZGDVOPBACJQ-KBPBESRZSA-N 1 0 270.373 -0.303 20 30 CBEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000863590242 583848161 /nfs/dbraw/zinc/84/81/61/583848161.db2.gz HHSBCRMBONWHIT-LBPRGKRZSA-N 1 0 263.341 -0.131 20 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CBEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878794944 584217274 /nfs/dbraw/zinc/21/72/74/584217274.db2.gz JLIGSFRQVIAJLV-SNVBAGLBSA-N 1 0 290.323 -0.183 20 30 CBEDRO C#C[C@H](CO)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000878808499 584217624 /nfs/dbraw/zinc/21/76/24/584217624.db2.gz VSQRBGFYWNIDLQ-SNVBAGLBSA-N 1 0 265.317 -0.440 20 30 CBEDRO C#CCNC(=O)[C@H](C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867233 584219268 /nfs/dbraw/zinc/21/92/68/584219268.db2.gz ILIWOZNHLSOVET-JSGCOSHPSA-N 1 0 267.373 -0.487 20 30 CBEDRO C#CCNC(=O)C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000879132041 584227391 /nfs/dbraw/zinc/22/73/91/584227391.db2.gz KJQLTRHPAPUHOA-GWCFXTLKSA-N 1 0 252.314 -0.133 20 30 CBEDRO C#CCNC(=O)CC[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000879260963 584230606 /nfs/dbraw/zinc/23/06/06/584230606.db2.gz CEUAZSSOGYXLGU-DGCLKSJQSA-N 1 0 254.330 -0.402 20 30 CBEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532249 584238270 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