smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(C[NH+]2CCC(S)CC2)CC1 ZINC001207398740 968752677 /nfs/dbraw/zinc/75/26/77/968752677.db2.gz LXFKBAFDUJBEML-UHFFFAOYSA-N 2 0 228.405 1.722 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252579879 968833135 /nfs/dbraw/zinc/83/31/35/968833135.db2.gz YQBRAFRZQUPUPQ-GFCCVEGCSA-N 2 0 214.353 1.243 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254644317 969751820 /nfs/dbraw/zinc/75/18/20/969751820.db2.gz WBRJIOZGMZGPIW-YNEHKIRRSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001343021326 979979258 /nfs/dbraw/zinc/97/92/58/979979258.db2.gz PAISFURIAXOGPJ-CQSZACIVSA-N 2 0 238.375 1.605 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000691839563 983817197 /nfs/dbraw/zinc/81/71/97/983817197.db2.gz BHDWPVAKTWKHIU-NWDGAFQWSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252585931 983835644 /nfs/dbraw/zinc/83/56/44/983835644.db2.gz VZJRXQQLAKFKGV-MJBXVCDLSA-N 2 0 240.391 1.632 20 30 BDEDRP C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256629679 970895144 /nfs/dbraw/zinc/89/51/44/970895144.db2.gz OVXPFBNDYGKIJM-YIONKMFJSA-N 2 0 232.371 1.957 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCCC1CC[NH2+]CC1 ZINC001217832195 971427700 /nfs/dbraw/zinc/42/77/00/971427700.db2.gz NKSMVRNSFYPDGW-CYBMUJFWSA-N 2 0 224.348 1.311 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1CC[NH2+]1 ZINC001217934704 971536298 /nfs/dbraw/zinc/53/62/98/971536298.db2.gz ZLOLVOWDXZWFPX-QJPTWQEYSA-N 2 0 210.321 1.062 20 30 BDEDRP CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258041842 971566970 /nfs/dbraw/zinc/56/69/70/971566970.db2.gz AZMJFSLADTYBIL-NEPJUHHUSA-N 2 0 216.369 1.645 20 30 BDEDRP C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C[NH2+]1 ZINC001246198451 972215144 /nfs/dbraw/zinc/21/51/44/972215144.db2.gz PHUOZBCFXAIULY-ZWNOBZJWSA-N 2 0 242.326 1.404 20 30 BDEDRP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(F)cn2)CC[NH2+]1 ZINC001246220176 972220090 /nfs/dbraw/zinc/22/00/90/972220090.db2.gz CBRDQBHZENISKJ-PSASIEDQSA-N 2 0 236.294 1.067 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H](CCC[NH3+])COC ZINC000234779086 957183472 /nfs/dbraw/zinc/18/34/72/957183472.db2.gz LTYBGZAORWJPBK-VIFPVBQESA-N 2 0 206.717 1.082 20 30 BDEDRP C=CC[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246358903 972303617 /nfs/dbraw/zinc/30/36/17/972303617.db2.gz IAGPPNKEPBDXTG-IXXDHKBRSA-N 2 0 249.402 1.509 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443960 972315196 /nfs/dbraw/zinc/31/51/96/972315196.db2.gz IVONBXKJNALUNY-SMDDNHRTSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385250 972451128 /nfs/dbraw/zinc/45/11/28/972451128.db2.gz IPMHRFGTGDTRNO-CQSZACIVSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CCn1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206623801 960666067 /nfs/dbraw/zinc/66/60/67/960666067.db2.gz ORRAZDMNJRDSHY-CYBMUJFWSA-N 2 0 248.374 1.630 20 30 BDEDRP CC(C)c1ccc(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159780049 964196635 /nfs/dbraw/zinc/19/66/35/964196635.db2.gz OONYEQRZUFCFHM-LBPRGKRZSA-N 2 0 247.346 1.512 20 30 BDEDRP C=CC(NCC(C)(C)C[NH+](C)C)=[NH+]COC ZINC001168766371 968522547 /nfs/dbraw/zinc/52/25/47/968522547.db2.gz HIKUZWVQPQQDKB-UHFFFAOYSA-N 2 0 227.352 1.352 20 30 BDEDRP C[NH+]1CCC(C)(C[NH+]2CCC(C#N)CC2)CC1 ZINC001208105019 968999510 /nfs/dbraw/zinc/99/95/10/968999510.db2.gz QPIUTPRMTYSAGV-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001208597758 969150402 /nfs/dbraw/zinc/15/04/02/969150402.db2.gz NHYWNPWHALQUMS-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001253602486 969295963 /nfs/dbraw/zinc/29/59/63/969295963.db2.gz JLLQJVUIDBWLBE-OAHLLOKOSA-N 2 0 248.370 1.427 20 30 BDEDRP C#CCCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209267190 969419429 /nfs/dbraw/zinc/41/94/29/969419429.db2.gz CZBQUVBWYHZHOF-UHFFFAOYSA-N 2 0 243.354 1.925 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH+]2CCC(S)CC2)CC1 ZINC001254526142 969720734 /nfs/dbraw/zinc/72/07/34/969720734.db2.gz OKPSJZXFEKOHDA-NSHDSACASA-N 2 0 228.405 1.865 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254644234 969758196 /nfs/dbraw/zinc/75/81/96/969758196.db2.gz WBRJIOZGMZGPIW-RWMBFGLXSA-N 2 0 221.348 1.753 20 30 BDEDRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667259 969773901 /nfs/dbraw/zinc/77/39/01/969773901.db2.gz BREJDGJLDMMSTI-KGLIPLIRSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210197009 969829467 /nfs/dbraw/zinc/82/94/67/969829467.db2.gz UYWKTKJXALOLBV-HNNXBMFYSA-N 2 0 245.370 1.409 20 30 BDEDRP CC[C@@H](CC#N)N(CC[NH+](C)C)CC[NH+](C)C ZINC001255172356 969985247 /nfs/dbraw/zinc/98/52/47/969985247.db2.gz NUQCHRUKCPGIIQ-ZDUSSCGKSA-N 2 0 240.395 1.104 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)N1CCC[C@@H]1C[NH3+] ZINC001246906966 973398061 /nfs/dbraw/zinc/39/80/61/973398061.db2.gz DMZYDWNANOOFSD-SWLSCSKDSA-N 2 0 243.354 1.912 20 30 BDEDRP C#CCCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172244019 974510405 /nfs/dbraw/zinc/51/04/05/974510405.db2.gz WODGAXCJHSKZME-UHFFFAOYSA-N 2 0 238.375 1.490 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC([NH3+])C1 ZINC001172296890 974564247 /nfs/dbraw/zinc/56/42/47/974564247.db2.gz JVEWIWPPOAXBCO-GWMXKSKGSA-N 2 0 229.327 1.569 20 30 BDEDRP C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+](C)C ZINC001335955485 977384448 /nfs/dbraw/zinc/38/44/48/977384448.db2.gz VKQGWYRTHLINHQ-NWDGAFQWSA-N 2 0 241.379 1.217 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC001340150544 978982252 /nfs/dbraw/zinc/98/22/52/978982252.db2.gz WGUCEGXNAOJZJA-NWDGAFQWSA-N 2 0 243.395 1.528 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340334859 979014858 /nfs/dbraw/zinc/01/48/58/979014858.db2.gz SZQACCCKEIBZMZ-QWRGUYRKSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990688 979281664 /nfs/dbraw/zinc/28/16/64/979281664.db2.gz BWTUDEIOQLJHNC-FUNVUKJBSA-N 2 0 224.348 1.248 20 30 BDEDRP C=CC[NH2+]CCN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473539 979603764 /nfs/dbraw/zinc/60/37/64/979603764.db2.gz LHUKRIIZVQSXQP-CQSZACIVSA-N 2 0 239.407 1.472 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC001342107630 979659064 /nfs/dbraw/zinc/65/90/64/979659064.db2.gz NIFHRQBEEOJSKN-NWDGAFQWSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC001342228570 979721784 /nfs/dbraw/zinc/72/17/84/979721784.db2.gz KTRQEFYGLDHPEV-UONOGXRCSA-N 2 0 238.375 1.748 20 30 BDEDRP C#CCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237384825 979880610 /nfs/dbraw/zinc/88/06/10/979880610.db2.gz YVKOWKCKWARSMD-STQMWFEESA-N 2 0 206.333 1.474 20 30 BDEDRP C#CCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384821 979881967 /nfs/dbraw/zinc/88/19/67/979881967.db2.gz YVKOWKCKWARSMD-CHWSQXEVSA-N 2 0 206.333 1.474 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001344822029 980476621 /nfs/dbraw/zinc/47/66/21/980476621.db2.gz MDKCVBCDOPHHQT-LBPRGKRZSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CC[NH2+]CCN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604015 981173556 /nfs/dbraw/zinc/17/35/56/981173556.db2.gz UDQBGPRCMQRYJB-QWHCGFSZSA-N 2 0 225.380 1.069 20 30 BDEDRP C#CCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205761604 982405271 /nfs/dbraw/zinc/40/52/71/982405271.db2.gz IQWFLGJNJBKVKS-JTQLQIEISA-N 2 0 216.275 1.316 20 30 BDEDRP C[C@@H](CCC#N)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575942005 984138755 /nfs/dbraw/zinc/13/87/55/984138755.db2.gz ZWBMSYFBFWTIMB-TUAOUCFPSA-N 2 0 207.321 1.220 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC001579467736 985967929 /nfs/dbraw/zinc/96/79/29/985967929.db2.gz WJNJKDYMAUXOSP-GHMZBOCLSA-N 2 0 209.337 1.514 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001253606590 986267267 /nfs/dbraw/zinc/26/72/67/986267267.db2.gz KIVPENNCYCLDAX-CQSZACIVSA-N 2 0 238.375 1.387 20 30 BDEDRP N#CC1(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CCOCC1 ZINC001580037865 986438346 /nfs/dbraw/zinc/43/83/46/986438346.db2.gz AKVGPZVYOMHPQR-VXGBXAGGSA-N 2 0 237.347 1.024 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580039998 986450698 /nfs/dbraw/zinc/45/06/98/986450698.db2.gz BQXDDMWUWLORAY-WRWGMCAJSA-N 2 0 207.321 1.396 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(C3C[NH2+]C3)no2)C1 ZINC001580056201 986492371 /nfs/dbraw/zinc/49/23/71/986492371.db2.gz NKWYWIBNQJKBBC-GXSJLCMTSA-N 2 0 246.314 1.143 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245973712 987248778 /nfs/dbraw/zinc/24/87/78/987248778.db2.gz KKNVKXQTDSGFCR-UPJWGTAASA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245993242 987270876 /nfs/dbraw/zinc/27/08/76/987270876.db2.gz NHSNCWJGSSOISB-AVGNSLFASA-N 2 0 226.364 1.149 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246018722 987305021 /nfs/dbraw/zinc/30/50/21/987305021.db2.gz FTFSYQWAPFABIL-MNOVXSKESA-N 2 0 248.317 1.229 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246029801 987328324 /nfs/dbraw/zinc/32/83/24/987328324.db2.gz LWVLPFSLWCEFPM-AVGNSLFASA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC001246104967 987431537 /nfs/dbraw/zinc/43/15/37/987431537.db2.gz VVJKPPFBEPSXRJ-RJZJGCCBSA-N 2 0 235.375 1.904 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246203256 987599095 /nfs/dbraw/zinc/59/90/95/987599095.db2.gz AHJLVWDFLBBSPT-JZSPREIISA-N 2 0 233.359 1.941 20 30 BDEDRP C#Cc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246261034 987655576 /nfs/dbraw/zinc/65/55/76/987655576.db2.gz CRUJENSDYUACJJ-UHFFFAOYSA-N 2 0 214.312 1.510 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+]C1CCC(CC#N)CC1 ZINC001246299676 987694767 /nfs/dbraw/zinc/69/47/67/987694767.db2.gz JLGZCQAHWBDNLW-UNXYVOJBSA-N 2 0 209.337 1.786 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246364938 987772453 /nfs/dbraw/zinc/77/24/53/987772453.db2.gz VKACSUJLFXVTHB-RDBSUJKOSA-N 2 0 237.391 1.367 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001474681769 987797732 /nfs/dbraw/zinc/79/77/32/987797732.db2.gz NFIDJNBPSKLVQK-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246474947 987831193 /nfs/dbraw/zinc/83/11/93/987831193.db2.gz CMCXDOQLONADEW-WOPDTQHZSA-N 2 0 227.327 1.606 20 30 BDEDRP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246554004 987960652 /nfs/dbraw/zinc/96/06/52/987960652.db2.gz AOKYNAWMJVCJCH-YIYPIFLZSA-N 2 0 235.375 1.985 20 30 BDEDRP CC1(C[NH3+])C[NH+](C2CCC(CC#N)CC2)C1 ZINC001246588916 988151866 /nfs/dbraw/zinc/15/18/66/988151866.db2.gz MEWBBEVQGNHOOP-UHFFFAOYSA-N 2 0 221.348 1.739 20 30 BDEDRP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)CC[NH2+]1 ZINC001246846334 988559080 /nfs/dbraw/zinc/55/90/80/988559080.db2.gz GEHKHNAGGPILAX-NEPJUHHUSA-N 2 0 221.348 1.753 20 30 BDEDRP CC[NH+]1CCC(C[N@H+](C)[C@@H](C)CC#N)CC1 ZINC001308590657 991051020 /nfs/dbraw/zinc/05/10/20/991051020.db2.gz ZPLWNXCMNLOALB-LBPRGKRZSA-N 2 0 223.364 1.952 20 30 BDEDRP C=C[C@@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001308710362 991106072 /nfs/dbraw/zinc/10/60/72/991106072.db2.gz VDFTZUZFYHAMBI-ZDUSSCGKSA-N 2 0 226.364 1.509 20 30 BDEDRP C#CC[N@H+](CC1CC[NH2+]CC1)C1CSC1 ZINC001574666770 992886995 /nfs/dbraw/zinc/88/69/95/992886995.db2.gz HZDIWHDCFXFNSW-UHFFFAOYSA-N 2 0 224.373 1.037 20 30 BDEDRP C#CCOCC[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574735237 992895339 /nfs/dbraw/zinc/89/53/39/992895339.db2.gz CZFBJAPYSSZQFX-UONOGXRCSA-N 2 0 236.359 1.087 20 30 BDEDRP C#Cc1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC001574757690 992898845 /nfs/dbraw/zinc/89/88/45/992898845.db2.gz YPYNPODGQVCNSK-HNNXBMFYSA-N 2 0 228.339 1.757 20 30 BDEDRP C=CCOCCC[NH2+]Cc1ccc(C[NH3+])cc1 ZINC001574944003 992947021 /nfs/dbraw/zinc/94/70/21/992947021.db2.gz TZFYBVYGPHZENX-UHFFFAOYSA-N 2 0 234.343 1.828 20 30 BDEDRP CC#CC[NH+]1CCC2(C[NH2+][C@@H]2C(C)C)CC1 ZINC001574970349 992953172 /nfs/dbraw/zinc/95/31/72/992953172.db2.gz UCXKQBGQANXVSR-CYBMUJFWSA-N 2 0 220.360 1.720 20 30 BDEDRP CC#CCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC001574969150 992954436 /nfs/dbraw/zinc/95/44/36/992954436.db2.gz AOFJDUJBCUXMCW-UHFFFAOYSA-N 2 0 234.368 1.897 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575940985 993132592 /nfs/dbraw/zinc/13/25/92/993132592.db2.gz GFDARABJAOMGHU-GRYCIOLGSA-N 2 0 209.337 1.643 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000381761852 993424672 /nfs/dbraw/zinc/42/46/72/993424672.db2.gz UCSFMMVIDDZGNY-AVGNSLFASA-N 2 0 221.348 1.753 20 30 BDEDRP CC[NH+](CC)[C@@H](CNC(N)=[NH2+])CC(C)C ZINC000161488706 349463765 /nfs/dbraw/zinc/46/37/65/349463765.db2.gz DHEWKYRJPKVIES-SNVBAGLBSA-N 2 0 214.357 1.016 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000649353851 398166053 /nfs/dbraw/zinc/16/60/53/398166053.db2.gz XHTDQAIWBGAJMJ-MJBXVCDLSA-N 2 0 238.375 1.340 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000128872904 136226961 /nfs/dbraw/zinc/22/69/61/136226961.db2.gz AMYRKPKAHHTFOF-QWHCGFSZSA-N 2 0 226.364 1.197 20 30 BDEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378863971 346848647 /nfs/dbraw/zinc/84/86/47/346848647.db2.gz WOQGDMOLHFOKRN-VOAKCMCISA-N 2 0 221.348 1.608 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000168600325 343210506 /nfs/dbraw/zinc/21/05/06/343210506.db2.gz CRKCFUCQRRVOMV-RYUDHWBXSA-N 2 0 212.337 1.439 20 30 BDEDRP CC#CC[NH+](C)C/C=C\C[N@@H+](C)CC#CC ZINC000339766635 136280919 /nfs/dbraw/zinc/28/09/19/136280919.db2.gz TVOCNXFWOSVSNR-KTKRTIGZSA-N 2 0 218.344 1.453 20 30 BDEDRP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000625704137 344048961 /nfs/dbraw/zinc/04/89/61/344048961.db2.gz VXPXNROGQHCABI-KGLIPLIRSA-N 2 0 240.391 1.586 20 30 BDEDRP C=CCSCC[NH2+]C1CC[NH+](CC)CC1 ZINC000132253841 344292123 /nfs/dbraw/zinc/29/21/23/344292123.db2.gz JOKVXLUTQYZLJZ-UHFFFAOYSA-N 2 0 228.405 1.980 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000155761051 345103267 /nfs/dbraw/zinc/10/32/67/345103267.db2.gz HOFCYBFQWUJQSI-AWEZNQCLSA-N 2 0 220.360 1.818 20 30 BDEDRP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1C ZINC000158266014 345314093 /nfs/dbraw/zinc/31/40/93/345314093.db2.gz LYOXLRNHODTPDR-NWDGAFQWSA-N 2 0 221.348 1.753 20 30 BDEDRP C#CC[N@@H+](C)CCCN[C@H](C)c1nccnc1C ZINC000295060227 346352259 /nfs/dbraw/zinc/35/22/59/346352259.db2.gz RCZODHCHKMGHOD-GFCCVEGCSA-N 2 0 246.358 1.391 20 30 BDEDRP C=CCN(Cc1ccccc1)C[C@](C)(O)C[NH2+]C ZINC000580654425 365848366 /nfs/dbraw/zinc/84/83/66/365848366.db2.gz UEAUMCRIRJRDRY-OAHLLOKOSA-N 2 0 248.370 1.645 20 30 BDEDRP CC#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364514025 347461294 /nfs/dbraw/zinc/46/12/94/347461294.db2.gz OMRMHSJQEPENNG-QLFBSQMISA-N 2 0 232.371 1.816 20 30 BDEDRP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000591659706 347683159 /nfs/dbraw/zinc/68/31/59/347683159.db2.gz NPOOUNMUBPWHNM-MBNYWOFBSA-N 2 0 235.375 1.999 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000592985254 347836167 /nfs/dbraw/zinc/83/61/67/347836167.db2.gz KBJXGIAKRIHBDS-CQSZACIVSA-N 2 0 241.338 1.790 20 30 BDEDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595896813 348387241 /nfs/dbraw/zinc/38/72/41/348387241.db2.gz YAIKWCUACZNNNY-WFASDCNBSA-N 2 0 243.354 1.912 20 30 BDEDRP C[NH2+][C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595893597 348390920 /nfs/dbraw/zinc/39/09/20/348390920.db2.gz RKWVPNAYTIFQGH-CQSZACIVSA-N 2 0 229.327 1.394 20 30 BDEDRP C[C@@]1(C#N)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904512 348396447 /nfs/dbraw/zinc/39/64/47/348396447.db2.gz DZHQCBBTYOYRHF-RYUDHWBXSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542344 362961446 /nfs/dbraw/zinc/96/14/46/362961446.db2.gz WLEONNZKMCGQJT-STQMWFEESA-N 2 0 240.391 1.776 20 30 BDEDRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336760219 353171305 /nfs/dbraw/zinc/17/13/05/353171305.db2.gz LPMMVGBPHLCHMJ-NWDGAFQWSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CCC[C@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000181099976 353419953 /nfs/dbraw/zinc/41/99/53/353419953.db2.gz LQFHPDBKDSLMFC-ZDUSSCGKSA-N 2 0 237.347 1.532 20 30 BDEDRP C=C[C@@H](CO)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000289964107 353645605 /nfs/dbraw/zinc/64/56/05/353645605.db2.gz XAXBVDLPGQBVPU-LBPRGKRZSA-N 2 0 247.342 1.187 20 30 BDEDRP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320389 192195008 /nfs/dbraw/zinc/19/50/08/192195008.db2.gz BNBJDBMKJPGFLM-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336153946 134105271 /nfs/dbraw/zinc/10/52/71/134105271.db2.gz VPXUZVVYCWZWEH-CYBMUJFWSA-N 2 0 237.391 1.273 20 30 BDEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757473 356664207 /nfs/dbraw/zinc/66/42/07/356664207.db2.gz MNYCAIYDMTZCAX-CYBMUJFWSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000130527716 358630887 /nfs/dbraw/zinc/63/08/87/358630887.db2.gz COEKZSZMPZRZNZ-CQSZACIVSA-N 2 0 239.407 1.568 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000309498124 491150347 /nfs/dbraw/zinc/15/03/47/491150347.db2.gz ZAAZMFSGZQSIRB-STQMWFEESA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000629500798 361101412 /nfs/dbraw/zinc/10/14/12/361101412.db2.gz XWYPICMLOUDCBO-LBPRGKRZSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629546507 361429345 /nfs/dbraw/zinc/42/93/45/361429345.db2.gz CZIBRLXVUTYXQM-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP CC#CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000155947555 201375944 /nfs/dbraw/zinc/37/59/44/201375944.db2.gz JWSNXBMSQHFRJH-ZDUSSCGKSA-N 2 0 208.349 1.673 20 30 BDEDRP C=CC(C)(C)C[NH2+][C@@H](CCC[NH3+])COC ZINC000385452238 367829382 /nfs/dbraw/zinc/82/93/82/367829382.db2.gz JOTYITZDRKKWRU-NSHDSACASA-N 2 0 214.353 1.542 20 30 BDEDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000600710836 369559108 /nfs/dbraw/zinc/55/91/08/369559108.db2.gz QGGWGKCKMAITAI-LBPRGKRZSA-N 2 0 247.342 1.445 20 30 BDEDRP CCC([NH3+])(CC)CNCc1ccc(C#N)o1 ZINC000600768910 369561155 /nfs/dbraw/zinc/56/11/55/369561155.db2.gz HVFWZDWTDYMPGR-UHFFFAOYSA-N 2 0 221.304 1.758 20 30 BDEDRP C[NH2+]C[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000600767612 369563804 /nfs/dbraw/zinc/56/38/04/369563804.db2.gz BNQNDGCQZWPJOA-SNVBAGLBSA-N 2 0 219.288 1.193 20 30 BDEDRP C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C#N)cc1 ZINC000601330777 369621133 /nfs/dbraw/zinc/62/11/33/369621133.db2.gz XCKXWTBELJAFPA-ZWNOBZJWSA-N 2 0 215.300 1.480 20 30 BDEDRP CC(C)(CCC#N)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390102943 371187872 /nfs/dbraw/zinc/18/78/72/371187872.db2.gz AVJSSCJVXHXQEU-RYUDHWBXSA-N 2 0 221.348 1.468 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CN1C1CC1 ZINC000167263339 206145988 /nfs/dbraw/zinc/14/59/88/206145988.db2.gz FWLYDWNJPGQBIE-VXGBXAGGSA-N 2 0 221.348 1.895 20 30 BDEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC#N)[C@H](C)C1 ZINC000174777984 384362932 /nfs/dbraw/zinc/36/29/32/384362932.db2.gz OWCKBMCTAHEEJW-CHWSQXEVSA-N 2 0 223.364 1.952 20 30 BDEDRP C#CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000363480596 384551431 /nfs/dbraw/zinc/55/14/31/384551431.db2.gz OAHLDSRFSRZMAQ-ZDUSSCGKSA-N 2 0 206.333 1.427 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000247647065 385359570 /nfs/dbraw/zinc/35/95/70/385359570.db2.gz WFGZFNKEIFGANT-MCIONIFRSA-N 2 0 240.391 1.728 20 30 BDEDRP C=CCOc1cccc(C[NH2+]CCC[NH2+]C)c1 ZINC000414857593 385731965 /nfs/dbraw/zinc/73/19/65/385731965.db2.gz FGCUHBXNZHFEKI-UHFFFAOYSA-N 2 0 234.343 1.951 20 30 BDEDRP C=CCOc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000414880975 385981481 /nfs/dbraw/zinc/98/14/81/385981481.db2.gz JSPLDOCOEOUVAD-LBPRGKRZSA-N 2 0 234.343 1.936 20 30 BDEDRP C=CCOCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000645083305 386709045 /nfs/dbraw/zinc/70/90/45/386709045.db2.gz KYDZEZZDYIFZLC-CYBMUJFWSA-N 2 0 235.331 1.723 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396794 387232470 /nfs/dbraw/zinc/23/24/70/387232470.db2.gz SOROLLRWFRYARA-FVCCEPFGSA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863842 387746382 /nfs/dbraw/zinc/74/63/82/387746382.db2.gz SLIAXMVWFVFGHE-GXTWGEPZSA-N 2 0 237.391 1.354 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422854486 387737169 /nfs/dbraw/zinc/73/71/69/387737169.db2.gz AVGLBJDXOKVPHT-OCCSQVGLSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422944267 387785843 /nfs/dbraw/zinc/78/58/43/387785843.db2.gz LFCWRZGWQHVIKB-NWDGAFQWSA-N 2 0 228.405 1.883 20 30 BDEDRP C[C@H]([NH2+]CCCCC#N)[C@H]1CCCC[NH2+]1 ZINC000422967471 387816245 /nfs/dbraw/zinc/81/62/45/387816245.db2.gz BYTCGBZDTQNYIP-NWDGAFQWSA-N 2 0 209.337 1.800 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423131129 387907303 /nfs/dbraw/zinc/90/73/03/387907303.db2.gz ZGELFEWDYIJRAZ-YNEHKIRRSA-N 2 0 226.364 1.434 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423131126 387908398 /nfs/dbraw/zinc/90/83/98/387908398.db2.gz ZGELFEWDYIJRAZ-JHJVBQTASA-N 2 0 226.364 1.434 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000424298478 387958863 /nfs/dbraw/zinc/95/88/63/387958863.db2.gz SKVDQJRHYCHKTQ-JSGCOSHPSA-N 2 0 238.375 1.651 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000424299971 387960374 /nfs/dbraw/zinc/96/03/74/387960374.db2.gz WJMDWJIIMLVWDQ-RQJABVFESA-N 2 0 238.375 1.507 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C ZINC000424319597 387969424 /nfs/dbraw/zinc/96/94/24/387969424.db2.gz FFGWMNFMJTXGCY-RVMXOQNASA-N 2 0 221.348 1.751 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207706 387993905 /nfs/dbraw/zinc/99/39/05/387993905.db2.gz SBXOQTUGHIOQOV-CHWSQXEVSA-N 2 0 225.380 1.082 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424369156 387994811 /nfs/dbraw/zinc/99/48/11/387994811.db2.gz BFKKAZITGIJNSV-WUHRBBMRSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424372811 387996535 /nfs/dbraw/zinc/99/65/35/387996535.db2.gz INQBDJHPWXGFLV-SDDRHHMPSA-N 2 0 209.337 1.786 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000336660094 388087931 /nfs/dbraw/zinc/08/79/31/388087931.db2.gz BBJJZOXOKTZTCC-OLZOCXBDSA-N 2 0 221.348 1.754 20 30 BDEDRP C=CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104783 388143193 /nfs/dbraw/zinc/14/31/93/388143193.db2.gz XZYIORCUFCFHSY-UHFFFAOYSA-N 2 0 238.375 1.749 20 30 BDEDRP C=CCN1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449120413 388144276 /nfs/dbraw/zinc/14/42/76/388144276.db2.gz CWIOYOHDXMZLMV-YPMHNXCESA-N 2 0 240.416 1.978 20 30 BDEDRP C=C(CC)C[NH2+][C@H](CCC[NH3+])COC ZINC000313503610 256550798 /nfs/dbraw/zinc/55/07/98/256550798.db2.gz LOEDXADYVUAUSA-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491209520 388277410 /nfs/dbraw/zinc/27/74/10/388277410.db2.gz IHTAFXLZJTYRIN-UKRRQHHQSA-N 2 0 249.402 1.014 20 30 BDEDRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1C#N ZINC000414895128 388665989 /nfs/dbraw/zinc/66/59/89/388665989.db2.gz MKATYLBXVLQMRA-JTQLQIEISA-N 2 0 233.315 1.394 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423306814 388691167 /nfs/dbraw/zinc/69/11/67/388691167.db2.gz MAMFRXAXHZDIMZ-UWVGGRQHSA-N 2 0 235.306 1.943 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000332686377 134006798 /nfs/dbraw/zinc/00/67/98/134006798.db2.gz UNPOZETXGPQZSI-QCNOEVLYSA-N 2 0 207.321 1.396 20 30 BDEDRP C=C(C)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336510795 134148850 /nfs/dbraw/zinc/14/88/50/134148850.db2.gz NPMZJIMDZBHPNW-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CC[N@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000357075830 134181938 /nfs/dbraw/zinc/18/19/38/134181938.db2.gz OMWOTKDYAXMIDR-UHFFFAOYSA-N 2 0 248.370 1.692 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168611264 134231868 /nfs/dbraw/zinc/23/18/68/134231868.db2.gz KVSBSWKHDYDUDS-GFCCVEGCSA-N 2 0 212.337 1.311 20 30 BDEDRP C=CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194727 135066314 /nfs/dbraw/zinc/06/63/14/135066314.db2.gz XVKDHGXMDDDQLO-PBWFPOADSA-N 2 0 238.375 1.746 20 30 BDEDRP C=CC[N@@H+](CCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261534643 135168294 /nfs/dbraw/zinc/16/82/94/135168294.db2.gz SHBJAAYBJHZGEJ-OLZOCXBDSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341871416 135244113 /nfs/dbraw/zinc/24/41/13/135244113.db2.gz DJECFRZYDVCKKQ-RFQIPJPRSA-N 2 0 240.391 1.489 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000262002797 135271314 /nfs/dbraw/zinc/27/13/14/135271314.db2.gz QJIVDJSQACLBAH-GFCCVEGCSA-N 2 0 238.379 1.341 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)C[NH+]2CCCC2)N1 ZINC000262683664 135313355 /nfs/dbraw/zinc/31/33/55/135313355.db2.gz XKLIUFDINPAJII-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)C[NH+](C)C ZINC000291944075 135375138 /nfs/dbraw/zinc/37/51/38/135375138.db2.gz PVRHQPPLTIFGIG-LLVKDONJSA-N 2 0 234.347 1.611 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000320975271 398035192 /nfs/dbraw/zinc/03/51/92/398035192.db2.gz HCMYQEWNFQDSBW-BFHYXJOUSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000389321761 398073666 /nfs/dbraw/zinc/07/36/66/398073666.db2.gz HMFCDUBYPXOSJV-RYUDHWBXSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CCOCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000308696962 409903538 /nfs/dbraw/zinc/90/35/38/409903538.db2.gz TXNKVZSJHWPMQZ-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400930127 411163919 /nfs/dbraw/zinc/16/39/19/411163919.db2.gz OANDUIHKNAKTKU-WUHRBBMRSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400986661 411167352 /nfs/dbraw/zinc/16/73/52/411167352.db2.gz ZCRJIVFXBBCEBR-YNEHKIRRSA-N 2 0 224.348 1.167 20 30 BDEDRP C=CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405579115 411435955 /nfs/dbraw/zinc/43/59/55/411435955.db2.gz JKYOGXZIPFJGRP-VXGBXAGGSA-N 2 0 212.337 1.248 20 30 BDEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662299910 412085905 /nfs/dbraw/zinc/08/59/05/412085905.db2.gz ZKVUIXSCRAMSER-OLZOCXBDSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292585 412237708 /nfs/dbraw/zinc/23/77/08/412237708.db2.gz DGVJFVJFIKPNDV-VIFPVBQESA-N 2 0 236.319 1.085 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000310135277 176328320 /nfs/dbraw/zinc/32/83/20/176328320.db2.gz IUNGGIKFAAEXFL-BXUZGUMPSA-N 2 0 229.327 1.646 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566483106 326056374 /nfs/dbraw/zinc/05/63/74/326056374.db2.gz RMWAVTYQQCTXGK-FIQHERPVSA-N 2 0 207.321 1.538 20 30 BDEDRP CC[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000566791459 326082490 /nfs/dbraw/zinc/08/24/90/326082490.db2.gz CBMWVHNYZFEEGE-CQSZACIVSA-N 2 0 248.374 1.751 20 30 BDEDRP C=CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662299860 487546820 /nfs/dbraw/zinc/54/68/20/487546820.db2.gz YPAIEVQXIFIAGE-NEPJUHHUSA-N 2 0 212.337 1.119 20 30 BDEDRP C=C(CC)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335699803 534398103 /nfs/dbraw/zinc/39/81/03/534398103.db2.gz JBODUUYJPQDXCO-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000261878749 534844274 /nfs/dbraw/zinc/84/42/74/534844274.db2.gz QOAIMAAVWVCRND-VXGBXAGGSA-N 2 0 238.379 1.340 20 30 BDEDRP C=CCOCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000348059661 534872965 /nfs/dbraw/zinc/87/29/65/534872965.db2.gz WLFAOSUEDXSHFI-AWEZNQCLSA-N 2 0 240.391 1.853 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C ZINC000261992375 535549353 /nfs/dbraw/zinc/54/93/53/535549353.db2.gz MNOIFRNELUKORE-GRYCIOLGSA-N 2 0 238.379 1.031 20 30 BDEDRP C#CC[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893612050 583173739 /nfs/dbraw/zinc/17/37/39/583173739.db2.gz LVEMIAXXXFJNPP-UHFFFAOYSA-N 2 0 206.333 1.426 20 30 BDEDRP C#CC[NH+]1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000895808280 583732898 /nfs/dbraw/zinc/73/28/98/583732898.db2.gz KCKHODRSKRWANJ-UHFFFAOYSA-N 2 0 229.327 1.321 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000896035172 583764601 /nfs/dbraw/zinc/76/46/01/583764601.db2.gz OMJHMUIZZNAHHV-PBNFFQIGSA-N 2 0 238.375 1.528 20 30 BDEDRP C[NH+]1CCC2(CCN2C[C@@H](C#N)CCC#N)CC1 ZINC000899911058 584253008 /nfs/dbraw/zinc/25/30/08/584253008.db2.gz PFKJYEAQCSGWGU-CYBMUJFWSA-N 2 0 246.358 1.600 20 30 BDEDRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000902443579 584598268 /nfs/dbraw/zinc/59/82/68/584598268.db2.gz LEZIDQBMTAWKKF-SRVKXCTJSA-N 2 0 221.348 1.656 20 30 BDEDRP N#CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903033535 584718682 /nfs/dbraw/zinc/71/86/82/584718682.db2.gz WRAFXLCGQFRRFN-STQMWFEESA-N 2 0 233.359 1.897 20 30 BDEDRP N#CC1CCC(C[NH+]2CCC([NH3+])CC2)CC1 ZINC000903422027 584763509 /nfs/dbraw/zinc/76/35/09/584763509.db2.gz TXEXLRPYRZCFJS-UHFFFAOYSA-N 2 0 221.348 1.739 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000903563433 584782350 /nfs/dbraw/zinc/78/23/50/584782350.db2.gz CLVUJRJKTSOTJT-STQMWFEESA-N 2 0 221.348 1.612 20 30 BDEDRP C[N@H+](CCCCC1(C#N)CCC1)C[C@H](O)C[NH3+] ZINC000903752036 584795648 /nfs/dbraw/zinc/79/56/48/584795648.db2.gz PBUBMMZQQRSIBO-GFCCVEGCSA-N 2 0 239.363 1.102 20 30 BDEDRP C=CC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757720 584798697 /nfs/dbraw/zinc/79/86/97/584798697.db2.gz GIKBWEKOWZHBEI-ZIAGYGMSSA-N 2 0 236.359 1.405 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903929743 584824387 /nfs/dbraw/zinc/82/43/87/584824387.db2.gz KMKXBRULLUTWOK-IUKMKKQMSA-N 2 0 233.359 1.799 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759968286 585383400 /nfs/dbraw/zinc/38/34/00/585383400.db2.gz XJQHGINNWSULGS-CYBMUJFWSA-N 2 0 208.349 1.816 20 30 BDEDRP C=C(Cl)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000817903866 586837513 /nfs/dbraw/zinc/83/75/13/586837513.db2.gz MTAXDUAPPCDUPT-UHFFFAOYSA-N 2 0 202.729 1.846 20 30 BDEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000817938522 586844472 /nfs/dbraw/zinc/84/44/72/586844472.db2.gz MDLQRXLHDBYIAT-LBPRGKRZSA-N 2 0 232.327 1.698 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012631 588435603 /nfs/dbraw/zinc/43/56/03/588435603.db2.gz GTEARWQXXPOMOO-GFCCVEGCSA-N 2 0 238.379 1.264 20 30 BDEDRP C[NH+]=C(NCc1ccc2c[nH+]cn2c1)NC1CC1 ZINC000849040027 588447236 /nfs/dbraw/zinc/44/72/36/588447236.db2.gz FYXKUTXMFKBLLP-UHFFFAOYSA-N 2 0 243.314 1.162 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047286 588450795 /nfs/dbraw/zinc/45/07/95/588450795.db2.gz SSYZUMWLSUJQRB-UHFFFAOYSA-N 2 0 226.368 1.264 20 30 BDEDRP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000851848225 588634599 /nfs/dbraw/zinc/63/45/99/588634599.db2.gz ZVKWYJIDZQHMIP-ZIAGYGMSSA-N 2 0 238.375 1.298 20 30 BDEDRP C#CCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760708 588700793 /nfs/dbraw/zinc/70/07/93/588700793.db2.gz LZHDCYXCCQXMJE-AWEZNQCLSA-N 2 0 238.375 1.442 20 30 BDEDRP C#CCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760709 588701083 /nfs/dbraw/zinc/70/10/83/588701083.db2.gz LZHDCYXCCQXMJE-CQSZACIVSA-N 2 0 238.375 1.442 20 30 BDEDRP N#CCCN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000866702638 589513929 /nfs/dbraw/zinc/51/39/29/589513929.db2.gz DNEPGWPYWRXNIW-UHFFFAOYSA-N 2 0 238.379 1.037 20 30 BDEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])C2 ZINC000873274402 590016655 /nfs/dbraw/zinc/01/66/55/590016655.db2.gz DBZVNWLMVUJHRT-ILXRZTDVSA-N 2 0 241.338 1.495 20 30 BDEDRP C#CC1([NH2+]Cc2cnc(C)n2C)CCCC1 ZINC000883361972 591630069 /nfs/dbraw/zinc/63/00/69/591630069.db2.gz QRNBMEISOGMJSN-UHFFFAOYSA-N 2 0 217.316 1.764 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCC1CCC1 ZINC000104167138 592602925 /nfs/dbraw/zinc/60/29/25/592602925.db2.gz JQQORBKMQHBOGB-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000104181476 592603307 /nfs/dbraw/zinc/60/33/07/592603307.db2.gz DNFVWYUPJDHEME-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP CCCCCCC[N@H+](C)C[C@H](O)C[NH3+] ZINC000308668683 631476264 /nfs/dbraw/zinc/47/62/64/631476264.db2.gz UMBRSYXMXFWPJO-LLVKDONJSA-N 2 0 202.342 1.208 20 30 BDEDRP CCNC(NC[C@@H](C)[NH+]1CCCC1)=[NH+]CC ZINC000066245302 632861895 /nfs/dbraw/zinc/86/18/95/632861895.db2.gz QLWOYYXCZBROGX-LLVKDONJSA-N 2 0 226.368 1.046 20 30 BDEDRP C[C@H]1CCCN(C(=[NH2+])NCC[NH+]2CCCC2)C1 ZINC000170907829 633176903 /nfs/dbraw/zinc/17/69/03/633176903.db2.gz AYDVTJHFTCIUHU-LBPRGKRZSA-N 2 0 238.379 1.129 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000328213580 633741967 /nfs/dbraw/zinc/74/19/67/633741967.db2.gz XEGBQEJFQFBOLB-UHFFFAOYSA-N 2 0 248.374 1.509 20 30 BDEDRP CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925671785 634256003 /nfs/dbraw/zinc/25/60/03/634256003.db2.gz GDBNFOAGCQQBAC-QSLWVIQJSA-N 2 0 247.386 1.902 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000303987736 636320699 /nfs/dbraw/zinc/32/06/99/636320699.db2.gz JLGXJUKTEZGXKP-GHMZBOCLSA-N 2 0 226.368 1.031 20 30 BDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305823594 636333693 /nfs/dbraw/zinc/33/36/93/636333693.db2.gz QAAROLXOGZXJDS-NSHDSACASA-N 2 0 238.379 1.127 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911818834 639836560 /nfs/dbraw/zinc/83/65/60/639836560.db2.gz LWLJCCAYQJOCQK-NWDGAFQWSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911869185 639852708 /nfs/dbraw/zinc/85/27/08/639852708.db2.gz ZCDSCZLRVUZHBJ-NSHDSACASA-N 2 0 241.379 1.113 20 30 BDEDRP C=C(C)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284260 640121210 /nfs/dbraw/zinc/12/12/10/640121210.db2.gz QGGNSAHAMKGTHH-UHFFFAOYSA-N 2 0 238.375 1.749 20 30 BDEDRP C#CC[N@@H+](CCc1cncn1C)C(C)C ZINC000932382722 640507934 /nfs/dbraw/zinc/50/79/34/640507934.db2.gz BMEINMMMBRVEGP-UHFFFAOYSA-N 2 0 205.305 1.306 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907735 640935375 /nfs/dbraw/zinc/93/53/75/640935375.db2.gz AWGLIUZKISYIEZ-UHFFFAOYSA-N 2 0 226.368 1.033 20 30 BDEDRP C=CCSCC[NH2+]C1CCC([NH3+])CC1 ZINC000231933688 641216086 /nfs/dbraw/zinc/21/60/86/641216086.db2.gz VAWZHVOKXTVAEP-UHFFFAOYSA-N 2 0 214.378 1.765 20 30 BDEDRP C#C[C@H](CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000229521390 641757459 /nfs/dbraw/zinc/75/74/59/641757459.db2.gz UKVCXJHHPNJJJS-GFCCVEGCSA-N 2 0 208.349 1.862 20 30 BDEDRP CC1CC[NH+](CCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305798812 642697097 /nfs/dbraw/zinc/69/70/97/642697097.db2.gz BXXJCQXTXUKLCS-UHFFFAOYSA-N 2 0 238.379 1.127 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000307488843 643487889 /nfs/dbraw/zinc/48/78/89/643487889.db2.gz DTOCMAXOHFBBFA-GARJFASQSA-N 2 0 214.740 1.717 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284485 644308347 /nfs/dbraw/zinc/30/83/47/644308347.db2.gz NSGAFCSHHWKZNV-YPMHNXCESA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923294777 644332026 /nfs/dbraw/zinc/33/20/26/644332026.db2.gz PMGBRJNGMOSBNE-CHWSQXEVSA-N 2 0 228.380 1.619 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296171 644334399 /nfs/dbraw/zinc/33/43/99/644334399.db2.gz OJDHOKRBZQJPQR-NEPJUHHUSA-N 2 0 214.353 1.277 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923331379 644352863 /nfs/dbraw/zinc/35/28/63/644352863.db2.gz GGGGXWKDXTVQFF-IGQOVBAYSA-N 2 0 238.375 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334027 644353974 /nfs/dbraw/zinc/35/39/74/644353974.db2.gz GMADXTLXQQPCML-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349166 644363307 /nfs/dbraw/zinc/36/33/07/644363307.db2.gz PHHPWHAOZNJMRH-STQMWFEESA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000923391384 644395569 /nfs/dbraw/zinc/39/55/69/644395569.db2.gz DXYBERNFLHZVRR-WOPDTQHZSA-N 2 0 212.337 1.125 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NCC(C)C ZINC000083052943 644399206 /nfs/dbraw/zinc/39/92/06/644399206.db2.gz CMLPKYUSIZTDDN-UHFFFAOYSA-N 2 0 228.384 1.279 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415268 644416806 /nfs/dbraw/zinc/41/68/06/644416806.db2.gz ROBUACAQMJFBPA-IHRRRGAJSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@@H](O)CN1CCCC[C@H]1C[NH2+]C ZINC000923429830 644421621 /nfs/dbraw/zinc/42/16/21/644421621.db2.gz FOZWRTWWMQVKRI-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP CCNC(NCCC1CC[NH+](C)CC1)=[NH+]CC ZINC000303255746 644813402 /nfs/dbraw/zinc/81/34/02/644813402.db2.gz GUBPWVWHBXVQBI-UHFFFAOYSA-N 2 0 240.395 1.293 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000303408251 644822660 /nfs/dbraw/zinc/82/26/60/644822660.db2.gz TUWUDVFZDYLSLM-JTQLQIEISA-N 2 0 226.368 1.044 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCC(C)C ZINC000303886078 644854060 /nfs/dbraw/zinc/85/40/60/644854060.db2.gz KAFWKJMQCAFRRD-GFCCVEGCSA-N 2 0 242.411 1.667 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000303885498 644854889 /nfs/dbraw/zinc/85/48/89/644854889.db2.gz NFRHTSSORRBOHZ-NSHDSACASA-N 2 0 226.368 1.031 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303987049 644863163 /nfs/dbraw/zinc/86/31/63/644863163.db2.gz VDHFUCHPFDRKIA-UHFFFAOYSA-N 2 0 226.368 1.031 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000304736367 644927049 /nfs/dbraw/zinc/92/70/49/644927049.db2.gz ABDLOZKCRGQFQB-LLVKDONJSA-N 2 0 226.368 1.175 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849023756 645446490 /nfs/dbraw/zinc/44/64/90/645446490.db2.gz CWRMHIDDLKKZAT-LLVKDONJSA-N 2 0 238.379 1.407 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849023757 645447473 /nfs/dbraw/zinc/44/74/73/645447473.db2.gz CWRMHIDDLKKZAT-NSHDSACASA-N 2 0 238.379 1.407 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382198335 711541424 /nfs/dbraw/zinc/54/14/24/711541424.db2.gz IWDFSDBLONTSAD-MCDVFOBDSA-N 2 0 206.333 1.537 20 30 BDEDRP C#CCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000178060107 711674575 /nfs/dbraw/zinc/67/45/75/711674575.db2.gz NOFGQJHSHURCCL-VXGBXAGGSA-N 2 0 206.333 1.615 20 30 BDEDRP C=CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000706683252 712152506 /nfs/dbraw/zinc/15/25/06/712152506.db2.gz ZXTPFGNTOZWQCZ-YPMHNXCESA-N 2 0 208.349 1.740 20 30 BDEDRP C=CCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710640485 712264834 /nfs/dbraw/zinc/26/48/34/712264834.db2.gz CJBVTPJNEAZVIT-UHFFFAOYSA-N 2 0 226.364 1.341 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345160378 957163174 /nfs/dbraw/zinc/16/31/74/957163174.db2.gz UYDASNOVJFUZPI-ZIAGYGMSSA-N 2 0 238.375 1.653 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207438543 960093388 /nfs/dbraw/zinc/09/33/88/960093388.db2.gz AFDASCUVIOFYER-GFCCVEGCSA-N 2 0 221.348 1.612 20 30 BDEDRP N#Cc1c(Cl)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159784061 964196126 /nfs/dbraw/zinc/19/61/26/964196126.db2.gz GTMILOZGFUFLKM-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001205789783 967821421 /nfs/dbraw/zinc/82/14/21/967821421.db2.gz UFWGUOBXFNUIHB-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001207486235 968799775 /nfs/dbraw/zinc/79/97/75/968799775.db2.gz DTFQNWKAGFJBKD-CYBMUJFWSA-N 2 0 221.348 1.564 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252614003 968870783 /nfs/dbraw/zinc/87/07/83/968870783.db2.gz FATQMFKCWVBBLY-ZIAGYGMSSA-N 2 0 240.391 1.635 20 30 BDEDRP CC[NH+]1CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC001208596004 969151712 /nfs/dbraw/zinc/15/17/12/969151712.db2.gz YXEBPDCQLCYMQD-UHFFFAOYSA-N 2 0 221.348 1.564 20 30 BDEDRP C[C@@H]([NH2+]CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000691584970 978414887 /nfs/dbraw/zinc/41/48/87/978414887.db2.gz IRYULCXQZHYBDE-LLVKDONJSA-N 2 0 221.348 1.610 20 30 BDEDRP C#CC1CC[NH+](C[C@@H]2CNC(C)(C)O2)CC1 ZINC001236095041 979382301 /nfs/dbraw/zinc/38/23/01/979382301.db2.gz BRKBEHLZEJTFGK-LBPRGKRZSA-N 2 0 222.332 1.056 20 30 BDEDRP C=CC[N@@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256698851 970929066 /nfs/dbraw/zinc/92/90/66/970929066.db2.gz RAQKTCJFEPTPQM-UHFFFAOYSA-N 2 0 238.375 1.748 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001256965367 971027777 /nfs/dbraw/zinc/02/77/77/971027777.db2.gz SEJNSQATYBAPNZ-MMVSWEMESA-N 2 0 207.321 1.538 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCCC1CC[NH2+]CC1 ZINC001217832198 971427916 /nfs/dbraw/zinc/42/79/16/971427916.db2.gz NKSMVRNSFYPDGW-ZDUSSCGKSA-N 2 0 224.348 1.311 20 30 BDEDRP C#CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124629 974343151 /nfs/dbraw/zinc/34/31/51/974343151.db2.gz MFAVXHJSCNUYPD-CLLJXQQHSA-N 2 0 206.333 1.567 20 30 BDEDRP N#Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1Cl ZINC001170893528 972045711 /nfs/dbraw/zinc/04/57/11/972045711.db2.gz BYFCVICTSDRJRK-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP COc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1CC#N ZINC001170899227 972057793 /nfs/dbraw/zinc/05/77/93/972057793.db2.gz IPLRZAAHTRZNJQ-ZDUSSCGKSA-N 2 0 248.330 1.197 20 30 BDEDRP N#Cc1ccc(F)c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170899043 972059613 /nfs/dbraw/zinc/05/96/13/972059613.db2.gz HCSCARGHZAXSEE-LLVKDONJSA-N 2 0 222.267 1.133 20 30 BDEDRP N#CCCc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170899766 972064135 /nfs/dbraw/zinc/06/41/35/972064135.db2.gz MJAISRPQUSGGKA-ZDUSSCGKSA-N 2 0 232.331 1.578 20 30 BDEDRP N#Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159780409 972109288 /nfs/dbraw/zinc/10/92/88/972109288.db2.gz ZXBWLQCJPJPMHJ-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442747 972315468 /nfs/dbraw/zinc/31/54/68/972315468.db2.gz DQGOFENAKABEHE-SMDDNHRTSA-N 2 0 241.338 1.441 20 30 BDEDRP N#CC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246446729 972319750 /nfs/dbraw/zinc/31/97/50/972319750.db2.gz TVIJOMYJTAICGS-ILDUYXDCSA-N 2 0 205.305 1.020 20 30 BDEDRP C#CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246462250 972334630 /nfs/dbraw/zinc/33/46/30/972334630.db2.gz GUCKEISJDMUESI-ZDUSSCGKSA-N 2 0 247.386 1.006 20 30 BDEDRP C#CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCCC1 ZINC001246462249 972334715 /nfs/dbraw/zinc/33/47/15/972334715.db2.gz GUCKEISJDMUESI-CYBMUJFWSA-N 2 0 247.386 1.006 20 30 BDEDRP C#CCNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155654398 963141421 /nfs/dbraw/zinc/14/14/21/963141421.db2.gz SAAHFRQYRDIGRH-UHFFFAOYSA-N 2 0 230.315 1.054 20 30 BDEDRP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205937724 967890297 /nfs/dbraw/zinc/89/02/97/967890297.db2.gz CEBMCBRLIOABPH-VXGBXAGGSA-N 2 0 214.353 1.351 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296340 968205314 /nfs/dbraw/zinc/20/53/14/968205314.db2.gz RIIQOCPXLCWWMP-CYBMUJFWSA-N 2 0 208.349 1.851 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001252573004 968822177 /nfs/dbraw/zinc/82/21/77/968822177.db2.gz XHISEELRRRJARX-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252585180 968839700 /nfs/dbraw/zinc/83/97/00/968839700.db2.gz LFDHIDKMPORDFD-FRRDWIJNSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC001252590019 968845505 /nfs/dbraw/zinc/84/55/05/968845505.db2.gz XXVPKXGOTAFWBG-GFCCVEGCSA-N 2 0 214.353 1.197 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001252604188 968863877 /nfs/dbraw/zinc/86/38/77/968863877.db2.gz OPCCEGZQSGCZGH-MCIONIFRSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252616936 968874277 /nfs/dbraw/zinc/87/42/77/968874277.db2.gz WERYYSXHPCGGAL-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252618584 968878000 /nfs/dbraw/zinc/87/80/00/968878000.db2.gz YLTQPWAVQOFWCI-JXQTWKCFSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001252625299 968885422 /nfs/dbraw/zinc/88/54/22/968885422.db2.gz VGOXWTOGVRDSHI-AGIUHOORSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001253597673 969287917 /nfs/dbraw/zinc/28/79/17/969287917.db2.gz HJKRHHMUKCEHPY-AWEZNQCLSA-N 2 0 234.343 1.385 20 30 BDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001253606954 969305352 /nfs/dbraw/zinc/30/53/52/969305352.db2.gz OTBVYDHTIBAFNJ-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254505822 969675042 /nfs/dbraw/zinc/67/50/42/969675042.db2.gz JPRQNYAJUPPOIG-STQMWFEESA-N 2 0 208.349 1.862 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001254641771 969756593 /nfs/dbraw/zinc/75/65/93/969756593.db2.gz ASMZWPTURXGYBK-STQMWFEESA-N 2 0 233.359 1.754 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254644233 969757884 /nfs/dbraw/zinc/75/78/84/969757884.db2.gz WBRJIOZGMZGPIW-JHJVBQTASA-N 2 0 221.348 1.753 20 30 BDEDRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254643497 969758020 /nfs/dbraw/zinc/75/80/20/969758020.db2.gz LLQXEBXQZRJAAH-NWDGAFQWSA-N 2 0 223.364 1.999 20 30 BDEDRP CC1([NH3+])CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254647742 969762899 /nfs/dbraw/zinc/76/28/99/969762899.db2.gz VEYVAEPQPAAKEK-QWRGUYRKSA-N 2 0 207.321 1.492 20 30 BDEDRP C[NH+]1CCC2(C[NH+]([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254673289 969779581 /nfs/dbraw/zinc/77/95/81/969779581.db2.gz ICVIOMBEJCLLNE-STQMWFEESA-N 2 0 233.359 1.706 20 30 BDEDRP CC[C@@H](CC#N)N(CC[NH3+])CC[NH+](CC)CC ZINC001255155816 969954143 /nfs/dbraw/zinc/95/41/43/969954143.db2.gz USZIBMDRXCHJHT-ZDUSSCGKSA-N 2 0 240.395 1.281 20 30 BDEDRP C#CC1([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001256069304 970637443 /nfs/dbraw/zinc/63/74/43/970637443.db2.gz ABZFISREJODCFD-UHFFFAOYSA-N 2 0 204.317 1.369 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)nc1 ZINC001222543518 972561344 /nfs/dbraw/zinc/56/13/44/972561344.db2.gz WYXYGVOPNYSIFL-UHFFFAOYSA-N 2 0 248.305 1.216 20 30 BDEDRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001246550348 972709377 /nfs/dbraw/zinc/70/93/77/972709377.db2.gz JNENWMBHFMQUFB-AGIUHOORSA-N 2 0 221.348 1.882 20 30 BDEDRP N#CC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862776 973179830 /nfs/dbraw/zinc/17/98/30/973179830.db2.gz RIIGEZHUAOYVIK-PYNQCMFNSA-N 2 0 219.332 1.492 20 30 BDEDRP C#C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112085 974377592 /nfs/dbraw/zinc/37/75/92/974377592.db2.gz STXGJKCCSNUGDK-RVMXOQNASA-N 2 0 206.333 1.613 20 30 BDEDRP C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+](C)C ZINC001335955488 977383878 /nfs/dbraw/zinc/38/38/78/977383878.db2.gz VKQGWYRTHLINHQ-VXGBXAGGSA-N 2 0 241.379 1.217 20 30 BDEDRP Cc1ccc([C@@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001335968943 977393319 /nfs/dbraw/zinc/39/33/19/977393319.db2.gz MEOBOYQCGNJBNY-HNNXBMFYSA-N 2 0 246.354 1.183 20 30 BDEDRP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC001336753194 977908520 /nfs/dbraw/zinc/90/85/20/977908520.db2.gz CVXXMEJVAOKBEC-VXGBXAGGSA-N 2 0 241.379 1.074 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001340924666 979160543 /nfs/dbraw/zinc/16/05/43/979160543.db2.gz HEBXWBZTHOZWNF-SRVKXCTJSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CCCCCCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463899 979326574 /nfs/dbraw/zinc/32/65/74/979326574.db2.gz GJLIXRCVOANHBJ-QWHCGFSZSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH2+]C)C(C)C ZINC001344822028 980477502 /nfs/dbraw/zinc/47/75/02/980477502.db2.gz MDKCVBCDOPHHQT-GFCCVEGCSA-N 2 0 241.379 1.126 20 30 BDEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252557512 983817012 /nfs/dbraw/zinc/81/70/12/983817012.db2.gz MUVXRWLYYHVYFQ-MJBXVCDLSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001252611346 983844846 /nfs/dbraw/zinc/84/48/46/983844846.db2.gz ATTGAZHRBNQMTF-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP COCC[C@H]([NH3+])C[NH2+]CC(C)(C)CCC#N ZINC001579001409 984244824 /nfs/dbraw/zinc/24/48/24/984244824.db2.gz IQMGAAWEWZNHTB-NSHDSACASA-N 2 0 227.352 1.270 20 30 BDEDRP C[N@@H+](Cc1cccc(C#N)n1)CC1CC[NH2+]CC1 ZINC001578493064 985120100 /nfs/dbraw/zinc/12/01/00/985120100.db2.gz CCEDFHDFSIMPCT-UHFFFAOYSA-N 2 0 244.342 1.385 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)COC ZINC000691844675 985698849 /nfs/dbraw/zinc/69/88/49/985698849.db2.gz LXFZRWDQVWVUDE-UPJWGTAASA-N 2 0 226.364 1.637 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001245982582 987260842 /nfs/dbraw/zinc/26/08/42/987260842.db2.gz KWPGGVQGHXKWDU-AVGNSLFASA-N 2 0 226.364 1.291 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979192 987261878 /nfs/dbraw/zinc/26/18/78/987261878.db2.gz IQYQOVNGMWFNTQ-QWHCGFSZSA-N 2 0 238.375 1.435 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246018725 987305942 /nfs/dbraw/zinc/30/59/42/987305942.db2.gz FTFSYQWAPFABIL-QWRGUYRKSA-N 2 0 248.317 1.229 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693679180 987312251 /nfs/dbraw/zinc/31/22/51/987312251.db2.gz OWPXOXRGOYBASM-FRRDWIJNSA-N 2 0 238.375 1.555 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC001246200911 987594254 /nfs/dbraw/zinc/59/42/54/987594254.db2.gz RRSIYYNOHNOHFN-IJLUTSLNSA-N 2 0 207.321 1.268 20 30 BDEDRP N#CC1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC001246200533 987597290 /nfs/dbraw/zinc/59/72/90/987597290.db2.gz QRROKODRCAWJDJ-CPCZMJQVSA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246205296 987602009 /nfs/dbraw/zinc/60/20/09/987602009.db2.gz LIEKZXQVSVGKLW-ZDEQEGDKSA-N 2 0 221.348 1.799 20 30 BDEDRP N#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246228582 987626596 /nfs/dbraw/zinc/62/65/96/987626596.db2.gz IQAOESNOZGEUCH-FOSCPWQOSA-N 2 0 207.321 1.553 20 30 BDEDRP C=CCOC1CCC([NH2+]CC[C@H](C)[NH3+])CC1 ZINC001246302240 987698618 /nfs/dbraw/zinc/69/86/18/987698618.db2.gz WZKSFQIVLYURKK-HIFPTAJRSA-N 2 0 226.364 1.827 20 30 BDEDRP Cc1ccc(C(=[NH2+])NC2CC[NH2+]CC2)cc1C ZINC001246485383 987841670 /nfs/dbraw/zinc/84/16/70/987841670.db2.gz UFYWFBYFKXCUPU-UHFFFAOYSA-N 2 0 231.343 1.761 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)N1CC[C@](C)([NH3+])C1 ZINC001246529866 987884941 /nfs/dbraw/zinc/88/49/41/987884941.db2.gz MJQPEZYGAYFOBX-DOMZBBRYSA-N 2 0 243.354 1.912 20 30 BDEDRP C[C@@H]1C[C@H]([NH+]2CCC(C)(C#N)CC2)CC[NH2+]1 ZINC001246846342 988555554 /nfs/dbraw/zinc/55/55/54/988555554.db2.gz GEHKHNAGGPILAX-VXGBXAGGSA-N 2 0 221.348 1.753 20 30 BDEDRP C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246883596 988651100 /nfs/dbraw/zinc/65/11/00/988651100.db2.gz XLHVWDVDZSSMEY-PBWFPOADSA-N 2 0 218.344 1.615 20 30 BDEDRP C=CC[N@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246921201 988725558 /nfs/dbraw/zinc/72/55/58/988725558.db2.gz OCSXAVBZKGDSQH-GFCCVEGCSA-N 2 0 237.391 1.367 20 30 BDEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001326143678 989389159 /nfs/dbraw/zinc/38/91/59/989389159.db2.gz ZLFVLKGDKZJEHN-KIJLLGNVSA-N 2 0 237.347 1.021 20 30 BDEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258731116 991671272 /nfs/dbraw/zinc/67/12/72/991671272.db2.gz ALNHZBLLZLTLAU-UPJWGTAASA-N 2 0 208.349 1.835 20 30 BDEDRP C=C(C)CC[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001574834417 992924051 /nfs/dbraw/zinc/92/40/51/992924051.db2.gz BQGKUAYXYGSYFT-CYBMUJFWSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCSCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422943807 398160347 /nfs/dbraw/zinc/16/03/47/398160347.db2.gz KZXSMTONIHYIEU-SECBINFHSA-N 2 0 200.351 1.103 20 30 BDEDRP C[NH+](C)C[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602789373 349752297 /nfs/dbraw/zinc/75/22/97/349752297.db2.gz ZUSRETKOOFTUAB-GFCCVEGCSA-N 2 0 221.348 1.564 20 30 BDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258297 136269164 /nfs/dbraw/zinc/26/91/64/136269164.db2.gz FKLFZWLYTVLBAO-HZSPNIEDSA-N 2 0 220.360 1.979 20 30 BDEDRP C=CCOCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000339011843 136280220 /nfs/dbraw/zinc/28/02/20/136280220.db2.gz UHKSPGIEKPZYJL-UHFFFAOYSA-N 2 0 240.391 1.995 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000600708255 344360954 /nfs/dbraw/zinc/36/09/54/344360954.db2.gz KWNSXNRPSKKKAU-VXGBXAGGSA-N 2 0 237.347 1.166 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CCCC#N)CC1 ZINC000042393513 344452590 /nfs/dbraw/zinc/45/25/90/344452590.db2.gz CNDKFKKSPLZAJJ-UHFFFAOYSA-N 2 0 209.337 1.564 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000591570748 347675963 /nfs/dbraw/zinc/67/59/63/347675963.db2.gz IPSZTQRMYVLKNU-BXUZGUMPSA-N 2 0 247.317 1.914 20 30 BDEDRP N#Cc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000593314791 347881402 /nfs/dbraw/zinc/88/14/02/347881402.db2.gz FAHIOWLCYXLZRO-UHFFFAOYSA-N 2 0 229.327 1.777 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000594512082 348061289 /nfs/dbraw/zinc/06/12/89/348061289.db2.gz TUCVYVZQXVMLNF-MQYQWHSLSA-N 2 0 235.375 1.999 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000596649892 348605476 /nfs/dbraw/zinc/60/54/76/348605476.db2.gz HDGXWORDMHEPHF-CABCVRRESA-N 2 0 243.354 1.960 20 30 BDEDRP C[C@@H](C#N)CNCc1ccnn1-c1cc[nH+]cc1 ZINC000597082933 348658631 /nfs/dbraw/zinc/65/86/31/348658631.db2.gz OJLAIDFZDYTCEA-NSHDSACASA-N 2 0 241.298 1.517 20 30 BDEDRP Cn1ccnc1C[C@H]1CCCN(CCC#N)C1 ZINC000336715976 350471020 /nfs/dbraw/zinc/47/10/20/350471020.db2.gz VJORNEMGLIDSBK-GFCCVEGCSA-N 2 0 232.331 1.588 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C)c1cnccc1C ZINC000294542048 353782430 /nfs/dbraw/zinc/78/24/30/353782430.db2.gz AQUNEIPHHAWZEP-CQSZACIVSA-N 2 0 245.370 1.996 20 30 BDEDRP CC#CCN(C)Cc1ccc(-n2ccnc2)nc1 ZINC000293285467 353739080 /nfs/dbraw/zinc/73/90/80/353739080.db2.gz VQDXLVQYZGDKPH-UHFFFAOYSA-N 2 0 240.310 1.722 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422979178 192515950 /nfs/dbraw/zinc/51/59/50/192515950.db2.gz LRYLPNQYOKQUDW-KGLIPLIRSA-N 2 0 237.391 1.496 20 30 BDEDRP C=CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755123 356658332 /nfs/dbraw/zinc/65/83/32/356658332.db2.gz GEZNZBZJHPCXJF-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCC[C@H](CCC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423201355 192625069 /nfs/dbraw/zinc/62/50/69/192625069.db2.gz IHWZMMCRPPHZMF-AWEZNQCLSA-N 2 0 239.407 1.616 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367846718 134216648 /nfs/dbraw/zinc/21/66/48/134216648.db2.gz CFPQDQVQCZBSQX-UONOGXRCSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193052412 357865841 /nfs/dbraw/zinc/86/58/41/357865841.db2.gz GSCRSZPFRXEUMV-AGUYFDCRSA-N 2 0 238.375 1.794 20 30 BDEDRP C=C(C)COCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090451318 491127616 /nfs/dbraw/zinc/12/76/16/491127616.db2.gz GHVJDQAYUYIOJN-CYBMUJFWSA-N 2 0 240.391 1.899 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423545598 192810803 /nfs/dbraw/zinc/81/08/03/192810803.db2.gz YBQXTYFECBGAKW-KBPBESRZSA-N 2 0 233.359 1.968 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389221 361035698 /nfs/dbraw/zinc/03/56/98/361035698.db2.gz WMEQQRCZBYWNMZ-LBPRGKRZSA-N 2 0 226.364 1.829 20 30 BDEDRP CC#CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000155947685 201375773 /nfs/dbraw/zinc/37/57/73/201375773.db2.gz JWSNXBMSQHFRJH-CYBMUJFWSA-N 2 0 208.349 1.673 20 30 BDEDRP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000079909562 370703306 /nfs/dbraw/zinc/70/33/06/370703306.db2.gz MWRDUAWHYGLODF-DFBGVHRSSA-N 2 0 241.338 1.770 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581022194 367240215 /nfs/dbraw/zinc/24/02/15/367240215.db2.gz NPYRIFPRJNYVLE-SRVKXCTJSA-N 2 0 212.337 1.031 20 30 BDEDRP C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(C#N)o1 ZINC000600769574 369561542 /nfs/dbraw/zinc/56/15/42/369561542.db2.gz OVMBNPXYDAHVQC-CABZTGNLSA-N 2 0 219.288 1.239 20 30 BDEDRP C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767389 369562465 /nfs/dbraw/zinc/56/24/65/369562465.db2.gz ASJRRYOQAPCIHA-GRYCIOLGSA-N 2 0 247.342 1.956 20 30 BDEDRP C[N@H+](CCC[NH3+])Cc1ccc(C#N)cc1 ZINC000227742615 371929297 /nfs/dbraw/zinc/92/92/97/371929297.db2.gz GLNKLWKGRQALJV-UHFFFAOYSA-N 2 0 203.289 1.339 20 30 BDEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000173891189 384277577 /nfs/dbraw/zinc/27/75/77/384277577.db2.gz HITMBQXBGXZVIB-CYBMUJFWSA-N 2 0 223.364 1.954 20 30 BDEDRP C#CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374589722 533052101 /nfs/dbraw/zinc/05/21/01/533052101.db2.gz AEELSRAISFGTGW-AWEZNQCLSA-N 2 0 249.402 1.110 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363710813 384722141 /nfs/dbraw/zinc/72/21/41/384722141.db2.gz FXITYPPRPSJNAE-BFHYXJOUSA-N 2 0 238.375 1.651 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000309110992 385262588 /nfs/dbraw/zinc/26/25/88/385262588.db2.gz JQZWAKQOSDVAKN-WOPDTQHZSA-N 2 0 209.337 1.608 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180457576 385390984 /nfs/dbraw/zinc/39/09/84/385390984.db2.gz ZQIXQBWANZPUMD-NWDGAFQWSA-N 2 0 228.405 1.978 20 30 BDEDRP CC[NH+]1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000309632480 385755792 /nfs/dbraw/zinc/75/57/92/385755792.db2.gz IIRLXZAPXQNQNU-UHFFFAOYSA-N 2 0 221.348 1.754 20 30 BDEDRP C=CCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000309175221 385990289 /nfs/dbraw/zinc/99/02/89/385990289.db2.gz BZOPMEPHHRZAPP-CYBMUJFWSA-N 2 0 226.364 1.389 20 30 BDEDRP C=CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334453973 386103615 /nfs/dbraw/zinc/10/36/15/386103615.db2.gz MOBWLXXSDZLVBS-KBPBESRZSA-N 2 0 237.391 1.130 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783577 386505893 /nfs/dbraw/zinc/50/58/93/386505893.db2.gz QUYFLHFWFIOPGH-ZDUSSCGKSA-N 2 0 225.380 1.226 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423522758 387356958 /nfs/dbraw/zinc/35/69/58/387356958.db2.gz YDKLKMDLBPWUBS-NDBYEHHHSA-N 2 0 221.348 1.786 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000327980312 387601761 /nfs/dbraw/zinc/60/17/61/387601761.db2.gz IODDRLGUTOEXNC-ZIAGYGMSSA-N 2 0 237.391 1.014 20 30 BDEDRP C=C(C)CN1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422979762 387792063 /nfs/dbraw/zinc/79/20/63/387792063.db2.gz NSTHVGQKPNMSCL-CYBMUJFWSA-N 2 0 239.407 1.744 20 30 BDEDRP C=C(C)COCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422987864 387798890 /nfs/dbraw/zinc/79/88/90/387798890.db2.gz HOGRWFDDAXLDPW-WDEREUQCSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423015860 387838660 /nfs/dbraw/zinc/83/86/60/387838660.db2.gz LNCUWUOJOXVDHG-AGIUHOORSA-N 2 0 226.364 1.291 20 30 BDEDRP CC[C@H]([NH2+]CCCCC#N)[C@@H]1CCC[NH2+]1 ZINC000422967196 387816538 /nfs/dbraw/zinc/81/65/38/387816538.db2.gz BPIKPQJLYCMBEF-RYUDHWBXSA-N 2 0 209.337 1.800 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423170195 387954409 /nfs/dbraw/zinc/95/44/09/387954409.db2.gz LGCICEKXDOQEBX-WDEREUQCSA-N 2 0 209.337 1.643 20 30 BDEDRP C=CCC[C@@H](CCC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423201356 387987153 /nfs/dbraw/zinc/98/71/53/387987153.db2.gz IHWZMMCRPPHZMF-CQSZACIVSA-N 2 0 239.407 1.616 20 30 BDEDRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424373342 387997133 /nfs/dbraw/zinc/99/71/33/387997133.db2.gz XRAAHQNISVQELT-MROQNXINSA-N 2 0 221.348 1.799 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423253568 388035671 /nfs/dbraw/zinc/03/56/71/388035671.db2.gz WFGCCXTWUMVSGF-YNEHKIRRSA-N 2 0 221.348 1.658 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000271939744 388413918 /nfs/dbraw/zinc/41/39/18/388413918.db2.gz YPPAKLTZZAZSLY-UHFFFAOYSA-N 2 0 247.367 1.971 20 30 BDEDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1 ZINC000037713179 388586523 /nfs/dbraw/zinc/58/65/23/388586523.db2.gz ZTTHODIGZOKKKA-JTQLQIEISA-N 2 0 203.289 1.558 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423097128 388688017 /nfs/dbraw/zinc/68/80/17/388688017.db2.gz ISDBCSORTFFZOQ-GJZGRUSLSA-N 2 0 243.354 1.818 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423164140 388688696 /nfs/dbraw/zinc/68/86/96/388688696.db2.gz OCKYJBAGIRSVSC-NXEZZACHSA-N 2 0 235.306 1.913 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423105536 388688926 /nfs/dbraw/zinc/68/89/26/388688926.db2.gz QRLFVJFXULYWGL-UONOGXRCSA-N 2 0 229.327 1.570 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C#N)cc1F ZINC000423313682 388690776 /nfs/dbraw/zinc/69/07/76/388690776.db2.gz XFASFGQWHBGKEE-VHSXEESVSA-N 2 0 235.306 1.943 20 30 BDEDRP C[NH+](CC#CC[N@@H+](C)C1CCC1)C1CCC1 ZINC000357639417 134184485 /nfs/dbraw/zinc/18/44/85/134184485.db2.gz XGGVMTJVLPMNHM-UHFFFAOYSA-N 2 0 220.360 1.958 20 30 BDEDRP C=C(C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371296065 134228355 /nfs/dbraw/zinc/22/83/55/134228355.db2.gz WSBHFBKCXDHXCH-HZSPNIEDSA-N 2 0 238.375 1.746 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000305069535 134239481 /nfs/dbraw/zinc/23/94/81/134239481.db2.gz IXNVXLYSXTUDCI-ZIAGYGMSSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902812 134241234 /nfs/dbraw/zinc/24/12/34/134241234.db2.gz GPSHWMZSQTZAKG-CQSZACIVSA-N 2 0 237.391 1.273 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337230851 135008690 /nfs/dbraw/zinc/00/86/90/135008690.db2.gz TXNNOWVRMBQGBA-CQSZACIVSA-N 2 0 240.391 1.731 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211205 135066001 /nfs/dbraw/zinc/06/60/01/135066001.db2.gz FZNZLXIFWWRCKP-MJBXVCDLSA-N 2 0 233.359 1.706 20 30 BDEDRP C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000261709260 135247328 /nfs/dbraw/zinc/24/73/28/135247328.db2.gz DIQWJSWIBGXHLT-WDEREUQCSA-N 2 0 238.379 1.316 20 30 BDEDRP CN(C)C(=[NH+]CC1(C)CC[NH+](C)CC1)N(C)C ZINC000262599564 135308105 /nfs/dbraw/zinc/30/81/05/135308105.db2.gz YCCWOQLLZFYOGO-UHFFFAOYSA-N 2 0 240.395 1.198 20 30 BDEDRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263041562 135328800 /nfs/dbraw/zinc/32/88/00/135328800.db2.gz CIXLRAURCJMBAL-LLVKDONJSA-N 2 0 238.379 1.127 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000184284427 398018078 /nfs/dbraw/zinc/01/80/78/398018078.db2.gz QURUCBUQNFWDIG-ZDUSSCGKSA-N 2 0 226.364 1.386 20 30 BDEDRP C=C(C)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323992 409639495 /nfs/dbraw/zinc/63/94/95/409639495.db2.gz RUBVTZVXDOXLFR-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000665263016 410737360 /nfs/dbraw/zinc/73/73/60/410737360.db2.gz DRIGJIOEQTYURA-VXGBXAGGSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658210101 411294517 /nfs/dbraw/zinc/29/45/17/411294517.db2.gz OCZLOMIAJQYUBI-CHWSQXEVSA-N 2 0 226.364 1.651 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000310183819 411295849 /nfs/dbraw/zinc/29/58/49/411295849.db2.gz UVRRDIKRLGGZDW-MCIONIFRSA-N 2 0 238.375 1.699 20 30 BDEDRP C=C(C)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152320 412009880 /nfs/dbraw/zinc/00/98/80/412009880.db2.gz RNEOVRCOZUVNKG-CQSZACIVSA-N 2 0 238.375 1.484 20 30 BDEDRP C=CC[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000662299446 412085711 /nfs/dbraw/zinc/08/57/11/412085711.db2.gz PWZNFOYHNULABH-GFCCVEGCSA-N 2 0 212.337 1.250 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665263442 412205942 /nfs/dbraw/zinc/20/59/42/412205942.db2.gz MGECXKRCVDMGNP-HZSPNIEDSA-N 2 0 238.375 1.557 20 30 BDEDRP C[C@H](NCc1cccc(C#N)c1)[C@H]1CCC[NH2+]1 ZINC000400470481 226344318 /nfs/dbraw/zinc/34/43/18/226344318.db2.gz XRCLEHQQJQEWFP-SMDDNHRTSA-N 2 0 229.327 1.788 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566483111 326056256 /nfs/dbraw/zinc/05/62/56/326056256.db2.gz RMWAVTYQQCTXGK-WHOHXGKFSA-N 2 0 207.321 1.538 20 30 BDEDRP C=CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261558633 534531088 /nfs/dbraw/zinc/53/10/88/534531088.db2.gz YNZZKLZOWCRKQS-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000120574900 534707275 /nfs/dbraw/zinc/70/72/75/534707275.db2.gz YPJJHIZEZDEUNQ-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000261986805 534949265 /nfs/dbraw/zinc/94/92/65/534949265.db2.gz KHPWJRVKIZRWEG-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[NH+]1CCC(CCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262673657 535444046 /nfs/dbraw/zinc/44/40/46/535444046.db2.gz SFOPBYMZPBZRGU-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CCC1 ZINC000262799322 536111243 /nfs/dbraw/zinc/11/12/43/536111243.db2.gz QLOCZLPXKKXADO-UHFFFAOYSA-N 2 0 247.346 1.293 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000104152747 583107082 /nfs/dbraw/zinc/10/70/82/583107082.db2.gz VNVYNHROUKFNMQ-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP C#CC1([NH2+]CC2CC[NH+](C)CC2)CCCC1 ZINC000896026215 583763055 /nfs/dbraw/zinc/76/30/55/583763055.db2.gz IZOJKXHAAVHTFD-UHFFFAOYSA-N 2 0 220.360 1.864 20 30 BDEDRP C#CC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335394 588944077 /nfs/dbraw/zinc/94/40/77/588944077.db2.gz YTCYAGMGXQQAQS-OLZOCXBDSA-N 2 0 238.375 1.487 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H](C)c2cn(C)nn2)CC1 ZINC000902796384 584674152 /nfs/dbraw/zinc/67/41/52/584674152.db2.gz PFWBJDJBPAMANF-LLVKDONJSA-N 2 0 249.362 1.116 20 30 BDEDRP C=CC[NH+](CC=C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716844 584791797 /nfs/dbraw/zinc/79/17/97/584791797.db2.gz CRCTUJASVPKPQV-KGLIPLIRSA-N 2 0 236.359 1.429 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903850913 584808347 /nfs/dbraw/zinc/80/83/47/584808347.db2.gz ZSIHRIRYEUMLIQ-CYBMUJFWSA-N 2 0 238.375 1.796 20 30 BDEDRP N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904376349 584876234 /nfs/dbraw/zinc/87/62/34/584876234.db2.gz PIXZWDOHINZPPJ-VDISTLRHSA-N 2 0 227.311 1.611 20 30 BDEDRP C=CC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000732227891 584934873 /nfs/dbraw/zinc/93/48/73/584934873.db2.gz GPAZNILIMXASQH-AWEZNQCLSA-N 2 0 238.375 1.341 20 30 BDEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)NC1CC1 ZINC000848981301 588423639 /nfs/dbraw/zinc/42/36/39/588423639.db2.gz VRWHBQUWVSBYPB-UHFFFAOYSA-N 2 0 238.379 1.188 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981310 588423814 /nfs/dbraw/zinc/42/38/14/588423814.db2.gz WZERWVOEPGKEPU-UHFFFAOYSA-N 2 0 238.379 1.551 20 30 BDEDRP C[NH+]=C(NCCC[N@H+](C)C(C)C)NC1CC1 ZINC000848988030 588426241 /nfs/dbraw/zinc/42/62/41/588426241.db2.gz ZNDWLCOLDFPLCL-UHFFFAOYSA-N 2 0 226.368 1.044 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995624 588428824 /nfs/dbraw/zinc/42/88/24/588428824.db2.gz WZFGYGSNIWNZDQ-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP C=CCNC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000849033303 588443972 /nfs/dbraw/zinc/44/39/72/588443972.db2.gz GGMVBECRVGYAJN-UHFFFAOYSA-N 2 0 238.379 1.552 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041356 588447958 /nfs/dbraw/zinc/44/79/58/588447958.db2.gz QPOBEJUQSAREQI-LBPRGKRZSA-N 2 0 238.379 1.408 20 30 BDEDRP CNC(NCC[NH+]1[C@H](C)CCC[C@H]1C)=[NH+]C ZINC000849214559 588461782 /nfs/dbraw/zinc/46/17/82/588461782.db2.gz QNSPGSVMGBSLQZ-GHMZBOCLSA-N 2 0 226.368 1.044 20 30 BDEDRP CNC(NCc1ccc(CC[NH+](C)C)cc1)=[NH+]C ZINC000849214842 588462097 /nfs/dbraw/zinc/46/20/97/588462097.db2.gz WOYKPFWALWCZHI-UHFFFAOYSA-N 2 0 248.374 1.086 20 30 BDEDRP C#CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760707 588701046 /nfs/dbraw/zinc/70/10/46/588701046.db2.gz LZCGKVTWERDKJL-ZDUSSCGKSA-N 2 0 224.348 1.052 20 30 BDEDRP CC[NH+](CC)[C@@H](CNC(NC)=[NH+]C)CC(C)C ZINC000122468690 589592489 /nfs/dbraw/zinc/59/24/89/589592489.db2.gz KRCIVLDLDQRGEL-GFCCVEGCSA-N 2 0 242.411 1.538 20 30 BDEDRP C=CC[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315095 590542175 /nfs/dbraw/zinc/54/21/75/590542175.db2.gz FWEZXWTYNHMERZ-AWEZNQCLSA-N 2 0 239.407 1.520 20 30 BDEDRP C#CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132452 592449486 /nfs/dbraw/zinc/44/94/86/592449486.db2.gz GCFHZKHNUVYZRE-CYBMUJFWSA-N 2 0 229.327 1.615 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000104192955 592604525 /nfs/dbraw/zinc/60/45/25/592604525.db2.gz LVFQLRHVZRTNOQ-JTQLQIEISA-N 2 0 226.368 1.126 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925708998 634404172 /nfs/dbraw/zinc/40/41/72/634404172.db2.gz MWCMTXZQVPGABT-ZDUSSCGKSA-N 2 0 238.375 1.843 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000161473408 632045648 /nfs/dbraw/zinc/04/56/48/632045648.db2.gz BIIMZTUWFRLUDC-UHFFFAOYSA-N 2 0 238.379 1.343 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000231933190 635798817 /nfs/dbraw/zinc/79/88/17/635798817.db2.gz ANTXPYNDOFXZOA-GHMZBOCLSA-N 2 0 214.378 1.623 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647674 634203417 /nfs/dbraw/zinc/20/34/17/634203417.db2.gz FEZCRNUZZHVFMM-TUAOUCFPSA-N 2 0 226.364 1.419 20 30 BDEDRP CC(C)(CCC#N)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925672024 634256926 /nfs/dbraw/zinc/25/69/26/634256926.db2.gz GDBNFOAGCQQBAC-YHQUGGNUSA-N 2 0 247.386 1.902 20 30 BDEDRP CCCCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000303895863 636315674 /nfs/dbraw/zinc/31/56/74/636315674.db2.gz PRHITACWQQJYOU-UHFFFAOYSA-N 2 0 240.395 1.567 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438856 640203179 /nfs/dbraw/zinc/20/31/79/640203179.db2.gz QFUJXSVRHQJVJV-YIYPIFLZSA-N 2 0 233.359 1.562 20 30 BDEDRP CN(C)C(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000170913014 640937570 /nfs/dbraw/zinc/93/75/70/640937570.db2.gz JJDONKVWWGRUCL-LBPRGKRZSA-N 2 0 240.395 1.373 20 30 BDEDRP C#C[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229892800 640992250 /nfs/dbraw/zinc/99/22/50/640992250.db2.gz VUKJZWJLAVFSCJ-ODWCKFRGSA-N 2 0 206.333 1.613 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@@H](C)CC ZINC000173245962 641164389 /nfs/dbraw/zinc/16/43/89/641164389.db2.gz GCHLZZIGOYQUGB-NSHDSACASA-N 2 0 228.384 1.421 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000305829608 642703594 /nfs/dbraw/zinc/70/35/94/642703594.db2.gz STNZPBHRDYOVNX-LBPRGKRZSA-N 2 0 238.379 1.270 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181098135 642837399 /nfs/dbraw/zinc/83/73/99/642837399.db2.gz UZKLIQCQLBKXIM-NWDGAFQWSA-N 2 0 226.389 1.425 20 30 BDEDRP C[NH+](C)CC1(CNC(=[NH2+])NC2CC2)CCCC1 ZINC000183646024 643153465 /nfs/dbraw/zinc/15/34/65/643153465.db2.gz SPMCUEUYFJVVCE-UHFFFAOYSA-N 2 0 238.379 1.175 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000307488845 643488840 /nfs/dbraw/zinc/48/88/40/643488840.db2.gz DTOCMAXOHFBBFA-HBNTYKKESA-N 2 0 214.740 1.717 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294682 644332811 /nfs/dbraw/zinc/33/28/11/644332811.db2.gz OHYMPTYTXWEHCB-LLVKDONJSA-N 2 0 214.353 1.230 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923280587 644314123 /nfs/dbraw/zinc/31/41/23/644314123.db2.gz BURLHOFDNDEWOL-QWHCGFSZSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358549 644366418 /nfs/dbraw/zinc/36/64/18/644366418.db2.gz IMABKPGYHVADFV-ZDUSSCGKSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397745 644405085 /nfs/dbraw/zinc/40/50/85/644405085.db2.gz GKENZRMSHFFOQU-CHWSQXEVSA-N 2 0 236.359 1.263 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303259968 644813999 /nfs/dbraw/zinc/81/39/99/644813999.db2.gz MMNMETBRFPCHII-QWRGUYRKSA-N 2 0 240.395 1.277 20 30 BDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)NC1CC1 ZINC000303408358 644822098 /nfs/dbraw/zinc/82/20/98/644822098.db2.gz UCIVJJANUURYBQ-NSHDSACASA-N 2 0 238.379 1.188 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303773189 644844038 /nfs/dbraw/zinc/84/40/38/644844038.db2.gz FFSFCWSMAWHSKK-LLVKDONJSA-N 2 0 228.384 1.277 20 30 BDEDRP CCCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000303776236 644844080 /nfs/dbraw/zinc/84/40/80/644844080.db2.gz HSQVSRUADGIIIE-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP CC(C)NC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303785777 644846137 /nfs/dbraw/zinc/84/61/37/644846137.db2.gz QUWJJTKYQPISMG-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP CC(C)C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000303788386 644846687 /nfs/dbraw/zinc/84/66/87/644846687.db2.gz UGMQYDSLIZSAPI-LBPRGKRZSA-N 2 0 242.411 1.442 20 30 BDEDRP C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)[NH+](C)C)C1 ZINC000303779350 644846955 /nfs/dbraw/zinc/84/69/55/644846955.db2.gz KJTKYWNPTVFZPE-NSHDSACASA-N 2 0 240.395 1.373 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972477 644861356 /nfs/dbraw/zinc/86/13/56/644861356.db2.gz FTXSKBKKBDZGEF-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000304743909 644928622 /nfs/dbraw/zinc/92/86/22/644928622.db2.gz DLPGXBFYXLDUTN-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C#CC[NH+](C)CCCC[N@H+](CC#C)C[C@@H]1C[C@@H]1C ZINC000859740541 645686280 /nfs/dbraw/zinc/68/62/80/645686280.db2.gz NUPCXZFQHJJWLH-HOTGVXAUSA-N 2 0 246.398 1.923 20 30 BDEDRP CC1([NH+]2CCCC2)CCC(=[NH+]n2cnnc2)CC1 ZINC000884369951 645874670 /nfs/dbraw/zinc/87/46/70/645874670.db2.gz UUEKQLYQQORQTC-UHFFFAOYSA-N 2 0 247.346 1.911 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682329 646409480 /nfs/dbraw/zinc/40/94/80/646409480.db2.gz AXIQSYQLQBPJQI-LPWJVIDDSA-N 2 0 238.375 1.826 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925770731 646470490 /nfs/dbraw/zinc/47/04/90/646470490.db2.gz KZQSUFPKDKKBIX-VXGBXAGGSA-N 2 0 212.337 1.045 20 30 BDEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000717728411 712667633 /nfs/dbraw/zinc/66/76/33/712667633.db2.gz NDRIBGIKTIPKOT-CQSZACIVSA-N 2 0 238.375 1.223 20 30 BDEDRP C[C@@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000381908337 710758370 /nfs/dbraw/zinc/75/83/70/710758370.db2.gz JKWKPNSOMXPYBR-SNVBAGLBSA-N 2 0 245.330 1.120 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390654097 711130545 /nfs/dbraw/zinc/13/05/45/711130545.db2.gz QDFYFOWODGQWJY-ODWCKFRGSA-N 2 0 224.348 1.138 20 30 BDEDRP CCNC(NC[C@H](C)[NH+]1CCCCC1)=[NH+]CC ZINC000395969236 711218671 /nfs/dbraw/zinc/21/86/71/711218671.db2.gz MGAQBDIXERHALW-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CC[NH3+] ZINC000723900576 711544274 /nfs/dbraw/zinc/54/42/74/711544274.db2.gz KFVPVCUJRLAXBY-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP C#CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000161098462 711810686 /nfs/dbraw/zinc/81/06/86/711810686.db2.gz LTCVPOWYICGOHH-UHFFFAOYSA-N 2 0 208.349 1.673 20 30 BDEDRP C=C(CC)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641782 712264851 /nfs/dbraw/zinc/26/48/51/712264851.db2.gz KZTVOYSWAVSOLJ-UHFFFAOYSA-N 2 0 226.364 1.341 20 30 BDEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000717728408 712667715 /nfs/dbraw/zinc/66/77/15/712667715.db2.gz NDRIBGIKTIPKOT-AWEZNQCLSA-N 2 0 238.375 1.223 20 30 BDEDRP SC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207438590 968771935 /nfs/dbraw/zinc/77/19/35/968771935.db2.gz AZFHEOBIWUUQIZ-UHFFFAOYSA-N 2 0 214.378 1.380 20 30 BDEDRP C=CCC[C@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252604399 968862744 /nfs/dbraw/zinc/86/27/44/968862744.db2.gz RQNNZHWPXWLOMH-AWEZNQCLSA-N 2 0 242.407 1.977 20 30 BDEDRP C#C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208609298 969145814 /nfs/dbraw/zinc/14/58/14/969145814.db2.gz IYXVJWDNVKMOPI-ZIAGYGMSSA-N 2 0 220.360 1.673 20 30 BDEDRP CC[N@H+](C[C@@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000691571149 977160354 /nfs/dbraw/zinc/16/03/54/977160354.db2.gz DSCQLRLSGCLMAE-LBPRGKRZSA-N 2 0 223.364 1.810 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC001343486500 980127270 /nfs/dbraw/zinc/12/72/70/980127270.db2.gz JNGIRBXGHWSGDU-RYUDHWBXSA-N 2 0 243.395 1.528 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC001350956099 982135373 /nfs/dbraw/zinc/13/53/73/982135373.db2.gz LYPKQNOLAROBKA-BPCQOVAHSA-N 2 0 226.364 1.421 20 30 BDEDRP SCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848633 970997124 /nfs/dbraw/zinc/99/71/24/970997124.db2.gz FBUNFJAEXQHVQM-UHFFFAOYSA-N 2 0 237.372 1.570 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405430010 971252462 /nfs/dbraw/zinc/25/24/62/971252462.db2.gz RVSJUGWFHURRQR-RYUDHWBXSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCc1ccccc1C[NH3+] ZINC001217831322 971423412 /nfs/dbraw/zinc/42/34/12/971423412.db2.gz KOHYAWOKIJUSBT-AWEZNQCLSA-N 2 0 232.327 1.580 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217833277 971425112 /nfs/dbraw/zinc/42/51/12/971425112.db2.gz UCKBSRALSIDHEX-UONOGXRCSA-N 2 0 238.375 1.701 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC1(C)C[NH2+]C1 ZINC001217934241 971535657 /nfs/dbraw/zinc/53/56/57/971535657.db2.gz UMCXTPYOHPSKOE-VXGBXAGGSA-N 2 0 224.348 1.309 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1CCC[NH2+]C1 ZINC001217934154 971536144 /nfs/dbraw/zinc/53/61/44/971536144.db2.gz SWOFKYGZHCFBPR-BFHYXJOUSA-N 2 0 238.375 1.699 20 30 BDEDRP Cc1cccc(N[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001170900316 972062790 /nfs/dbraw/zinc/06/27/90/972062790.db2.gz RUFRGNYCHNYXKS-LBPRGKRZSA-N 2 0 218.304 1.302 20 30 BDEDRP N#Cc1cc2[nH]ccc2c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170903720 972078003 /nfs/dbraw/zinc/07/80/03/972078003.db2.gz KKHGOIKYMDOAHJ-ZDUSSCGKSA-N 2 0 243.314 1.475 20 30 BDEDRP C/C(=N\O)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170903299 972075517 /nfs/dbraw/zinc/07/55/17/972075517.db2.gz IXMTYNQGPGKSOW-RGZVIEDOSA-N 2 0 236.319 1.320 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246446735 972321598 /nfs/dbraw/zinc/32/15/98/972321598.db2.gz TVIJOMYJTAICGS-VQXHTEKXSA-N 2 0 205.305 1.020 20 30 BDEDRP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000300860862 958979668 /nfs/dbraw/zinc/97/96/68/958979668.db2.gz GLEQZXNUAJPNLT-WTUNAVPPSA-N 2 0 220.360 1.859 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000693912132 959531035 /nfs/dbraw/zinc/53/10/35/959531035.db2.gz MVJZQHGSKUZIAJ-GFCCVEGCSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CC[NH2+]CCN1CCC2(CCC[NH2+]C2)CC1 ZINC001222447447 972488567 /nfs/dbraw/zinc/48/85/67/972488567.db2.gz XRFWVWCHAOPIPK-UHFFFAOYSA-N 2 0 237.391 1.228 20 30 BDEDRP C[C@H](CCC#N)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000695838483 960497978 /nfs/dbraw/zinc/49/79/78/960497978.db2.gz WRQGYEBVPBHTKK-FRRDWIJNSA-N 2 0 221.348 1.562 20 30 BDEDRP C#CC[N@@H+](C)Cc1cccc(-n2ccnc2)c1 ZINC001141243103 961014230 /nfs/dbraw/zinc/01/42/30/961014230.db2.gz VUSTYIVSPJDORB-UHFFFAOYSA-N 2 0 225.295 1.937 20 30 BDEDRP N#Cc1cc(Cl)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786750 964202493 /nfs/dbraw/zinc/20/24/93/964202493.db2.gz JCHWAOPONPEEOY-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP C#CC(C)(C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168290256 964384429 /nfs/dbraw/zinc/38/44/29/964384429.db2.gz HMDSYDFJPSTVGZ-UHFFFAOYSA-N 2 0 208.349 1.861 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984627 967932533 /nfs/dbraw/zinc/93/25/33/967932533.db2.gz SPSVSIIRVWETNP-STQMWFEESA-N 2 0 225.380 1.069 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252573111 968822992 /nfs/dbraw/zinc/82/29/92/968822992.db2.gz ZAOGPJDZAOAJEU-ZDUSSCGKSA-N 2 0 226.364 1.386 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252575603 968828051 /nfs/dbraw/zinc/82/80/51/968828051.db2.gz DEVMWYFCIMHICS-ZDUSSCGKSA-N 2 0 226.364 1.389 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252579288 968831845 /nfs/dbraw/zinc/83/18/45/968831845.db2.gz LFDHIDKMPORDFD-JHJVBQTASA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252615289 968872741 /nfs/dbraw/zinc/87/27/41/968872741.db2.gz YDVCNZCKYNOORY-OLZOCXBDSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252616934 968876115 /nfs/dbraw/zinc/87/61/15/968876115.db2.gz WERYYSXHPCGGAL-CHWSQXEVSA-N 2 0 226.364 1.387 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253609564 969309488 /nfs/dbraw/zinc/30/94/88/969309488.db2.gz VOPPQGRASHDIJK-FVCCEPFGSA-N 2 0 224.348 1.138 20 30 BDEDRP C[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641640 969756697 /nfs/dbraw/zinc/75/66/97/969756697.db2.gz CMAQMVOUIXWGTQ-XVSSEFHLSA-N 2 0 221.348 1.880 20 30 BDEDRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254656194 969765656 /nfs/dbraw/zinc/76/56/56/969765656.db2.gz IXIOYCVQNUJCDJ-WOPDTQHZSA-N 2 0 207.321 1.220 20 30 BDEDRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254676753 969785845 /nfs/dbraw/zinc/78/58/45/969785845.db2.gz NQTBCRZUWPAPGK-GBJTYRQASA-N 2 0 247.386 1.952 20 30 BDEDRP CC[C@@H](CC#N)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001255168806 969978687 /nfs/dbraw/zinc/97/86/87/969978687.db2.gz WZRBHTLSKPBPHC-AGIUHOORSA-N 2 0 221.348 1.562 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC([NH3+])C1 ZINC001171191916 972842866 /nfs/dbraw/zinc/84/28/66/972842866.db2.gz IASTWRCHXJWMIV-GWMXKSKGSA-N 2 0 229.327 1.569 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246863906 973188381 /nfs/dbraw/zinc/18/83/81/973188381.db2.gz SSUUKAWBIHWSSR-NOOOWODRSA-N 2 0 205.305 1.102 20 30 BDEDRP N#CCCCC[C@H](N)c1nc([C@H]2CCC[NH2+]2)no1 ZINC001329868459 973981089 /nfs/dbraw/zinc/98/10/89/973981089.db2.gz UMCKGMZPBFZFQI-VHSXEESVSA-N 2 0 249.318 1.578 20 30 BDEDRP C[C@@H](CCCC#N)[N@H+](C)CCC[NH+](C)C ZINC001172493839 974841940 /nfs/dbraw/zinc/84/19/40/974841940.db2.gz OKCFIALHAFLEDT-LBPRGKRZSA-N 2 0 211.353 1.952 20 30 BDEDRP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2cncn2C1 ZINC001336726900 977884600 /nfs/dbraw/zinc/88/46/00/977884600.db2.gz FZVZFUBGELMKPC-NWDGAFQWSA-N 2 0 243.314 1.231 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001340906411 979150217 /nfs/dbraw/zinc/15/02/17/979150217.db2.gz CBQIMYBEQMSOTH-ZDUSSCGKSA-N 2 0 247.342 1.767 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC001357452993 983716421 /nfs/dbraw/zinc/71/64/21/983716421.db2.gz JNGIRBXGHWSGDU-VXGBXAGGSA-N 2 0 243.395 1.528 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001252585929 983835906 /nfs/dbraw/zinc/83/59/06/983835906.db2.gz VZJRXQQLAKFKGV-IHRRRGAJSA-N 2 0 240.391 1.632 20 30 BDEDRP C#CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275978213 984769756 /nfs/dbraw/zinc/76/97/56/984769756.db2.gz MNKHHBYIIXGZFH-GJZGRUSLSA-N 2 0 249.402 1.110 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001258724912 986062614 /nfs/dbraw/zinc/06/26/14/986062614.db2.gz DHMQVLUOPRSMIY-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001253608261 986270137 /nfs/dbraw/zinc/27/01/37/986270137.db2.gz KWDXDVLKLXPFFB-AWEZNQCLSA-N 2 0 238.375 1.530 20 30 BDEDRP CC[C@@H](CC#N)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001255176094 986869973 /nfs/dbraw/zinc/86/99/73/986869973.db2.gz WTLWREZLTQYFBP-LBPRGKRZSA-N 2 0 221.348 1.706 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245973808 987252331 /nfs/dbraw/zinc/25/23/31/987252331.db2.gz IHWLKAYDTGTAAG-LLVKDONJSA-N 2 0 212.337 1.175 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246001367 987285021 /nfs/dbraw/zinc/28/50/21/987285021.db2.gz RLHGQFKFVJYQJZ-MCIONIFRSA-N 2 0 238.375 1.707 20 30 BDEDRP CC[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691573629 987285803 /nfs/dbraw/zinc/28/58/03/987285803.db2.gz VJHKKXLENVZEDN-UHFFFAOYSA-N 2 0 209.337 1.564 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246021911 987312885 /nfs/dbraw/zinc/31/28/85/987312885.db2.gz XJRUBRRNQNHSEQ-TUAOUCFPSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C[C@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246030916 987333848 /nfs/dbraw/zinc/33/38/48/987333848.db2.gz FSPCFWUVFUYEOV-UONOGXRCSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246035184 987335967 /nfs/dbraw/zinc/33/59/67/987335967.db2.gz YQYBLXRNLJQANB-TUAOUCFPSA-N 2 0 230.327 1.075 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246060175 987347917 /nfs/dbraw/zinc/34/79/17/987347917.db2.gz NFJNLAFYYOOPIE-MELADBBJSA-N 2 0 238.375 1.387 20 30 BDEDRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001246311489 987712871 /nfs/dbraw/zinc/71/28/71/987712871.db2.gz DSWWHGJOKXTBDV-RISCZKNCSA-N 2 0 231.343 1.816 20 30 BDEDRP CCCCCCC[C@H](C)[NH2+]CCNCC[NH3+] ZINC001246405567 987788601 /nfs/dbraw/zinc/78/86/01/987788601.db2.gz QGKCVWQCBHJBFV-ZDUSSCGKSA-N 2 0 229.412 1.873 20 30 BDEDRP N#CCC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246442905 987796931 /nfs/dbraw/zinc/79/69/31/987796931.db2.gz FCDSPUIEZIYFKH-HTAVTVPLSA-N 2 0 219.332 1.410 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455526 987812441 /nfs/dbraw/zinc/81/24/41/987812441.db2.gz GIDHUGBMZXVRPT-CYBMUJFWSA-N 3 0 227.396 1.649 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542776 987914724 /nfs/dbraw/zinc/91/47/24/987914724.db2.gz KZKDPSDDDNBXQQ-OLZOCXBDSA-N 2 0 226.364 1.517 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246555446 987970084 /nfs/dbraw/zinc/97/00/84/987970084.db2.gz FEXHKZXBRXEYMK-YNEHKIRRSA-N 2 0 223.364 1.985 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562745 988004753 /nfs/dbraw/zinc/00/47/53/988004753.db2.gz ZLCKNWWNFPNEGR-MNOVXSKESA-N 2 0 245.317 1.985 20 30 BDEDRP CC(C)([NH3+])CNC1CC(C#N)(c2ccccc2)C1 ZINC001118122418 988027405 /nfs/dbraw/zinc/02/74/05/988027405.db2.gz WBJRYAAUHWOQHH-UHFFFAOYSA-N 2 0 243.354 1.937 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246590884 988166431 /nfs/dbraw/zinc/16/64/31/988166431.db2.gz IKDMRHXWECTMKK-FRRDWIJNSA-N 2 0 221.348 1.739 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837924 988541606 /nfs/dbraw/zinc/54/16/06/988541606.db2.gz WZDDCYFFXDDOEU-UPJWGTAASA-N 2 0 206.333 1.472 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246855151 988581114 /nfs/dbraw/zinc/58/11/14/988581114.db2.gz SXVROLCPRLUIPN-IJLUTSLNSA-N 2 0 207.321 1.492 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001521899922 989814417 /nfs/dbraw/zinc/81/44/17/989814417.db2.gz GVWKZXINEAGHOA-TUAOUCFPSA-N 2 0 239.363 1.008 20 30 BDEDRP C=C(C)CC[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001574834420 992924783 /nfs/dbraw/zinc/92/47/83/992924783.db2.gz BQGKUAYXYGSYFT-ZDUSSCGKSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH2+]C ZINC001574901210 992940655 /nfs/dbraw/zinc/94/06/55/992940655.db2.gz BYABTVDVPUXVIQ-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001575941010 993123591 /nfs/dbraw/zinc/12/35/91/993123591.db2.gz GPWANPFSJXIDGX-MNOVXSKESA-N 2 0 207.321 1.268 20 30 BDEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575934652 993132744 /nfs/dbraw/zinc/13/27/44/993132744.db2.gz ROBNUUREINFORT-SDDRHHMPSA-N 2 0 237.347 1.165 20 30 BDEDRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000380315891 993325242 /nfs/dbraw/zinc/32/52/42/993325242.db2.gz IXIOYCVQNUJCDJ-UTUOFQBUSA-N 2 0 207.321 1.220 20 30 BDEDRP C[N@@H+]1CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000389910110 993766549 /nfs/dbraw/zinc/76/65/49/993766549.db2.gz JGRODRLNJUTLDQ-GFCCVEGCSA-N 2 0 209.337 1.754 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000649353852 398165744 /nfs/dbraw/zinc/16/57/44/398165744.db2.gz XHTDQAIWBGAJMJ-RDBSUJKOSA-N 2 0 238.375 1.340 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](C)CCC#N ZINC000602535318 349602916 /nfs/dbraw/zinc/60/29/16/349602916.db2.gz VRIWWFLIQNSJNC-NWDGAFQWSA-N 2 0 211.353 1.856 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000580580591 365790340 /nfs/dbraw/zinc/79/03/40/365790340.db2.gz DHEYMDNQVXALJC-CYDGBPFRSA-N 2 0 224.348 1.437 20 30 BDEDRP C=CCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000232573838 537800346 /nfs/dbraw/zinc/80/03/46/537800346.db2.gz OJFKQDBKHBTBPG-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000600712069 344361604 /nfs/dbraw/zinc/36/16/04/344361604.db2.gz VXKHTSIENHUNMP-VXGBXAGGSA-N 2 0 225.336 1.024 20 30 BDEDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000600769348 344370571 /nfs/dbraw/zinc/37/05/71/344370571.db2.gz SIQYQUCVDHHPNZ-SNVBAGLBSA-N 2 0 233.315 1.710 20 30 BDEDRP C=C(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158947575 345391254 /nfs/dbraw/zinc/39/12/54/345391254.db2.gz SPZGYZBEIGVFSE-OLZOCXBDSA-N 2 0 208.349 1.979 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309521035 347092178 /nfs/dbraw/zinc/09/21/78/347092178.db2.gz ANFLLXLCEVTVKR-UPJWGTAASA-N 2 0 223.364 1.999 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000310311611 347261446 /nfs/dbraw/zinc/26/14/46/347261446.db2.gz DXEWZTSTOKNKSV-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000575181434 347347713 /nfs/dbraw/zinc/34/77/13/347347713.db2.gz CGWJLRFKHJZTGN-VXGBXAGGSA-N 2 0 231.343 1.968 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000591576919 347676693 /nfs/dbraw/zinc/67/66/93/347676693.db2.gz PQTVUPVGGLHCQB-CHWSQXEVSA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000591659707 347683038 /nfs/dbraw/zinc/68/30/38/347683038.db2.gz NPOOUNMUBPWHNM-SGMGOOAPSA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC[NH+](C)CC1 ZINC000591739600 347694725 /nfs/dbraw/zinc/69/47/25/347694725.db2.gz NGUJQLWOBZQFCX-QWHCGFSZSA-N 2 0 248.374 1.750 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594522775 348069606 /nfs/dbraw/zinc/06/96/06/348069606.db2.gz SSOCCNCORKSEDK-GASCZTMLSA-N 2 0 243.354 1.988 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000594556815 348070424 /nfs/dbraw/zinc/07/04/24/348070424.db2.gz SOVXRTASFPDART-UPJWGTAASA-N 2 0 234.347 1.360 20 30 BDEDRP N#Cc1ccc(CC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000595894812 348390882 /nfs/dbraw/zinc/39/08/82/348390882.db2.gz XSCKVYOTGZAGJM-UHFFFAOYSA-N 2 0 243.354 1.771 20 30 BDEDRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894651 348390917 /nfs/dbraw/zinc/39/09/17/348390917.db2.gz VFHXVWYTNCWCLY-HNNXBMFYSA-N 2 0 243.354 1.642 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596647768 348604628 /nfs/dbraw/zinc/60/46/28/348604628.db2.gz BFQJONDLTIIQFN-NWDGAFQWSA-N 2 0 221.348 1.930 20 30 BDEDRP N#Cc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000596652400 348606741 /nfs/dbraw/zinc/60/67/41/348606741.db2.gz TYXHJFPYMDKRFF-UHFFFAOYSA-N 2 0 229.327 1.442 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000596653277 348606992 /nfs/dbraw/zinc/60/69/92/348606992.db2.gz ZNOARMPOYRFINU-KGLIPLIRSA-N 2 0 229.327 1.570 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000577468509 365960768 /nfs/dbraw/zinc/96/07/68/365960768.db2.gz HCYNTPYDFRAWBO-MJBXVCDLSA-N 2 0 238.375 1.794 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336752438 353083753 /nfs/dbraw/zinc/08/37/53/353083753.db2.gz GVYXOHZVIWJCSR-RYUDHWBXSA-N 2 0 212.337 1.119 20 30 BDEDRP CC[N@@H+]1CC[C@@H](N(C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296474 353407153 /nfs/dbraw/zinc/40/71/53/353407153.db2.gz DGJXSAQJMGDJCD-CHWSQXEVSA-N 2 0 235.375 1.952 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335840751 355585033 /nfs/dbraw/zinc/58/50/33/355585033.db2.gz YDHGMCJSDAQFOM-ZIAGYGMSSA-N 2 0 233.359 1.920 20 30 BDEDRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1C#N ZINC000423129024 192578784 /nfs/dbraw/zinc/57/87/84/192578784.db2.gz WKLASQHWTWHFRK-QWRGUYRKSA-N 2 0 247.342 1.782 20 30 BDEDRP C#CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193006088 357864190 /nfs/dbraw/zinc/86/41/90/357864190.db2.gz OHZYHKWKSIRHKE-YHWZYXNKSA-N 2 0 238.400 1.568 20 30 BDEDRP CCN(CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)C#N ZINC000124993647 358530804 /nfs/dbraw/zinc/53/08/04/358530804.db2.gz WTGYNSXQVFQSNN-QWHCGFSZSA-N 2 0 223.364 1.952 20 30 BDEDRP CC#CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246990942 359181669 /nfs/dbraw/zinc/18/16/69/359181669.db2.gz WKZCYZHVMFIRCF-DZGCQCFKSA-N 2 0 232.371 1.958 20 30 BDEDRP C#CC[N@H+](C)CCCNc1cccc(C)[nH+]1 ZINC000292911274 359324957 /nfs/dbraw/zinc/32/49/57/359324957.db2.gz XLGFIKQCDHIYQX-UHFFFAOYSA-N 2 0 217.316 1.757 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000090450876 360073421 /nfs/dbraw/zinc/07/34/21/360073421.db2.gz BMHMDDMHWKQFIA-OLZOCXBDSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387863 361040009 /nfs/dbraw/zinc/04/00/09/361040009.db2.gz LMRKQFFYJIACAT-RYUDHWBXSA-N 2 0 226.364 1.685 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000629552019 361444526 /nfs/dbraw/zinc/44/45/26/361444526.db2.gz YWBZPPCOTHAPOD-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP Cc1ccc(CN2CCC[NH2+]CC2)cc1C#N ZINC000600702994 369559837 /nfs/dbraw/zinc/55/98/37/369559837.db2.gz JETCFPUUWBFSOE-UHFFFAOYSA-N 2 0 229.327 1.662 20 30 BDEDRP N#Cc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769563 369561453 /nfs/dbraw/zinc/56/14/53/369561453.db2.gz OSTMEWJXODNGEK-ZDUSSCGKSA-N 2 0 231.299 1.337 20 30 BDEDRP CC1(C[NH2+]Cc2ccc(C#N)o2)CC[NH2+]CC1 ZINC000600767537 369562504 /nfs/dbraw/zinc/56/25/04/369562504.db2.gz BEWZGQVZEDQICL-UHFFFAOYSA-N 2 0 233.315 1.631 20 30 BDEDRP CC(C)(CCC#N)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390102945 371187543 /nfs/dbraw/zinc/18/75/43/371187543.db2.gz AVJSSCJVXHXQEU-TXEJJXNPSA-N 2 0 221.348 1.468 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334532 371485728 /nfs/dbraw/zinc/48/57/28/371485728.db2.gz BSZWBHZDSPBTPB-AVGNSLFASA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000424377776 206038985 /nfs/dbraw/zinc/03/89/85/206038985.db2.gz MYQOVBGDFXMHSC-XUXIUFHCSA-N 2 0 238.375 1.685 20 30 BDEDRP C=CCn1cc(C[NH2+][C@H](C)CCCC[NH3+])nn1 ZINC000424379426 206038993 /nfs/dbraw/zinc/03/89/93/206038993.db2.gz OSJIHZORSZKWMX-LLVKDONJSA-N 2 0 237.351 1.071 20 30 BDEDRP N#Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1F ZINC000335024791 384011638 /nfs/dbraw/zinc/01/16/38/384011638.db2.gz FETPDNVALSRHTG-OLZOCXBDSA-N 2 0 233.290 1.667 20 30 BDEDRP CNC(NCc1cccc(C[NH+](C)C)c1)=[NH+]C ZINC000161496216 384495727 /nfs/dbraw/zinc/49/57/27/384495727.db2.gz MGEWBTGHJRCXDD-UHFFFAOYSA-N 2 0 234.347 1.043 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181767577 385415901 /nfs/dbraw/zinc/41/59/01/385415901.db2.gz GLUDVESBFDFCAT-OLZOCXBDSA-N 2 0 226.364 1.651 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170905842 385455207 /nfs/dbraw/zinc/45/52/07/385455207.db2.gz RUVKTORYGPKUGV-LLVKDONJSA-N 2 0 247.346 1.293 20 30 BDEDRP N#CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000336172916 385493369 /nfs/dbraw/zinc/49/33/69/385493369.db2.gz ARDCBUWDCMJPHT-TZMCWYRMSA-N 2 0 233.359 1.849 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1C ZINC000414175997 386019663 /nfs/dbraw/zinc/01/96/63/386019663.db2.gz ZYDBSMFRAJMQTL-RYUDHWBXSA-N 2 0 223.364 1.999 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000335025041 387115930 /nfs/dbraw/zinc/11/59/30/387115930.db2.gz QNZOZGHRIRMDHM-WDEREUQCSA-N 2 0 207.321 1.540 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423414295 387245216 /nfs/dbraw/zinc/24/52/16/387245216.db2.gz BVNOWWWQPNIAFS-IHRRRGAJSA-N 2 0 240.391 1.945 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423522759 387356190 /nfs/dbraw/zinc/35/61/90/387356190.db2.gz YDKLKMDLBPWUBS-VOAKCMCISA-N 2 0 221.348 1.786 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422994802 387802446 /nfs/dbraw/zinc/80/24/46/387802446.db2.gz WIEIHGUYJWZHCL-STQMWFEESA-N 2 0 226.364 1.557 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422994800 387803459 /nfs/dbraw/zinc/80/34/59/387803459.db2.gz WIEIHGUYJWZHCL-OLZOCXBDSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CCSCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422949813 387808228 /nfs/dbraw/zinc/80/82/28/387808228.db2.gz WPURGPNFPBSPQD-NXEZZACHSA-N 2 0 202.367 1.621 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423015862 387838746 /nfs/dbraw/zinc/83/87/46/387838746.db2.gz LNCUWUOJOXVDHG-UPJWGTAASA-N 2 0 226.364 1.291 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000328066537 387846719 /nfs/dbraw/zinc/84/67/19/387846719.db2.gz CSYPULXPGTWCDA-BTTYYORXSA-N 2 0 238.375 1.487 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034879 387850869 /nfs/dbraw/zinc/85/08/69/387850869.db2.gz IRKBYZPLSYACPC-MCIGGMRASA-N 2 0 212.337 1.031 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000321043329 387936051 /nfs/dbraw/zinc/93/60/51/387936051.db2.gz TXOWWAFQVFJEDC-LERXQTSPSA-N 2 0 232.327 1.658 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000423172784 387959318 /nfs/dbraw/zinc/95/93/18/387959318.db2.gz VFMSIGWUSFNTCQ-VXGBXAGGSA-N 2 0 223.364 1.904 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000424369785 387993614 /nfs/dbraw/zinc/99/36/14/387993614.db2.gz RRSIYYNOHNOHFN-WOPDTQHZSA-N 2 0 207.321 1.268 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423256171 388037009 /nfs/dbraw/zinc/03/70/09/388037009.db2.gz BJYQFYAIRMECGG-TUAOUCFPSA-N 2 0 209.337 1.514 20 30 BDEDRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423270753 388049990 /nfs/dbraw/zinc/04/99/90/388049990.db2.gz IKAPLYMTIJBYKN-PNESKVBLSA-N 2 0 223.364 1.904 20 30 BDEDRP C#CCN(C[C@@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000491724218 388314941 /nfs/dbraw/zinc/31/49/41/388314941.db2.gz FIDRNFVQTHGTJD-AWEZNQCLSA-N 2 0 238.375 1.177 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000491821471 388324153 /nfs/dbraw/zinc/32/41/53/388324153.db2.gz VVBOQOSFTXNMFI-CYBMUJFWSA-N 2 0 234.343 1.755 20 30 BDEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1ccccn1 ZINC000170908610 134879238 /nfs/dbraw/zinc/87/92/38/134879238.db2.gz JNKPILXUQWBVNJ-UHFFFAOYSA-N 2 0 247.346 1.294 20 30 BDEDRP C=CCOCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000339005458 135050891 /nfs/dbraw/zinc/05/08/91/135050891.db2.gz OVTFVJYZKJCHAA-ZDUSSCGKSA-N 2 0 226.364 1.463 20 30 BDEDRP C=CCOCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000339005457 135051042 /nfs/dbraw/zinc/05/10/42/135051042.db2.gz OVTFVJYZKJCHAA-CYBMUJFWSA-N 2 0 226.364 1.463 20 30 BDEDRP C=CCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000339124919 135059880 /nfs/dbraw/zinc/05/98/80/135059880.db2.gz MIXNSKIYHQOFLK-CYBMUJFWSA-N 2 0 226.364 1.605 20 30 BDEDRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCCC[C@@H]1C ZINC000262625775 135309141 /nfs/dbraw/zinc/30/91/41/135309141.db2.gz DJXXRDHKSLSYAU-WOPDTQHZSA-N 2 0 238.379 1.187 20 30 BDEDRP C=CCOCCC[N@@H+](C)C1CCN(CC)CC1 ZINC000348051702 136030961 /nfs/dbraw/zinc/03/09/61/136030961.db2.gz MFGGMRIOEOMLKE-UHFFFAOYSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000643479495 398110354 /nfs/dbraw/zinc/11/03/54/398110354.db2.gz IMYWKZMHSMMEPY-RYUDHWBXSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339664087 166320421 /nfs/dbraw/zinc/32/04/21/166320421.db2.gz XSCYVELBCJDBLS-PBWFPOADSA-N 2 0 238.375 1.746 20 30 BDEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000651739007 411139864 /nfs/dbraw/zinc/13/98/64/411139864.db2.gz GAFXMVKGBWGJDN-RDBSUJKOSA-N 2 0 240.391 1.633 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400952349 411166628 /nfs/dbraw/zinc/16/66/28/411166628.db2.gz XHRJRSBTKLXUJI-YNEHKIRRSA-N 2 0 208.349 1.930 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309940024 170016347 /nfs/dbraw/zinc/01/63/47/170016347.db2.gz BJSYWJPDITXCPZ-YNEHKIRRSA-N 2 0 221.348 1.610 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309940016 170016995 /nfs/dbraw/zinc/01/69/95/170016995.db2.gz BJSYWJPDITXCPZ-UPJWGTAASA-N 2 0 221.348 1.610 20 30 BDEDRP C=CCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660402506 411579900 /nfs/dbraw/zinc/57/99/00/411579900.db2.gz UZFJWCXMOVVWJO-LBPRGKRZSA-N 2 0 214.353 1.195 20 30 BDEDRP C=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000661759989 411870596 /nfs/dbraw/zinc/87/05/96/411870596.db2.gz NSNFYEKEEJTUPJ-CYBMUJFWSA-N 2 0 242.407 1.974 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000665263890 412207427 /nfs/dbraw/zinc/20/74/27/412207427.db2.gz XMQKFDVDZWKGLA-CHWSQXEVSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000530209420 323209673 /nfs/dbraw/zinc/20/96/73/323209673.db2.gz HMNUGWRQDVBVIO-RWMBFGLXSA-N 2 0 240.391 1.931 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000677048313 487959355 /nfs/dbraw/zinc/95/93/55/487959355.db2.gz VFKJNUSEHBONPT-CQSZACIVSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261689503 534844712 /nfs/dbraw/zinc/84/47/12/534844712.db2.gz BAHGCPWFOPVRFQ-NWDGAFQWSA-N 2 0 238.379 1.197 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC[C@H]1C ZINC000262632634 535549671 /nfs/dbraw/zinc/54/96/71/535549671.db2.gz GAPZMJGOIJXACE-UTUOFQBUSA-N 2 0 238.379 1.174 20 30 BDEDRP C[NH+](C)CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336760221 535831708 /nfs/dbraw/zinc/83/17/08/535831708.db2.gz LPMMVGBPHLCHMJ-RYUDHWBXSA-N 2 0 209.337 1.610 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCC(C)CC2)N1 ZINC000848982638 582815917 /nfs/dbraw/zinc/81/59/17/582815917.db2.gz PJHUTTSQKBQDLN-GFCCVEGCSA-N 2 0 238.379 1.046 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000203027664 583962226 /nfs/dbraw/zinc/96/22/26/583962226.db2.gz ZOGFOPJYMOSLNC-LBPRGKRZSA-N 2 0 238.379 1.318 20 30 BDEDRP N#CC1CCC(C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000903421323 584763828 /nfs/dbraw/zinc/76/38/28/584763828.db2.gz LRFBWDGRRWOJKC-BPCQOVAHSA-N 2 0 221.348 1.739 20 30 BDEDRP N#CC1CCC(C[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903421327 584763858 /nfs/dbraw/zinc/76/38/58/584763858.db2.gz LRFBWDGRRWOJKC-WXRRBKDZSA-N 2 0 221.348 1.739 20 30 BDEDRP C[N@H+](CCC[NH3+])CC1CCC(C#N)CC1 ZINC000903424902 584765328 /nfs/dbraw/zinc/76/53/28/584765328.db2.gz KVIQHTLJDPSWGD-UHFFFAOYSA-N 2 0 209.337 1.597 20 30 BDEDRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1C#N ZINC000903939024 584826006 /nfs/dbraw/zinc/82/60/06/584826006.db2.gz BNUJTSPXZYELEV-UHFFFAOYSA-N 2 0 247.342 1.784 20 30 BDEDRP N#CC1(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)CCCCC1 ZINC000904378515 584876058 /nfs/dbraw/zinc/87/60/58/584876058.db2.gz FELIXCLTGQNRMH-TXEJJXNPSA-N 2 0 221.348 1.787 20 30 BDEDRP CC(CCCC[NH+](C)C)=[NH+]n1cnnc1 ZINC000781115468 585790567 /nfs/dbraw/zinc/79/05/67/585790567.db2.gz OUKDIFWNLZLUJX-UHFFFAOYSA-N 2 0 209.297 1.234 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000817931901 586842128 /nfs/dbraw/zinc/84/21/28/586842128.db2.gz OOPQVVULLHRPHD-JSGCOSHPSA-N 2 0 244.342 1.560 20 30 BDEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000817942200 586845292 /nfs/dbraw/zinc/84/52/92/586845292.db2.gz YKHZJJQRWVTYJA-ZDUSSCGKSA-N 2 0 246.354 1.959 20 30 BDEDRP C#CC[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000829814816 587519263 /nfs/dbraw/zinc/51/92/63/587519263.db2.gz ACTTWTYGKQSOTE-CYBMUJFWSA-N 2 0 231.343 1.698 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000848982305 588424207 /nfs/dbraw/zinc/42/42/07/588424207.db2.gz CEJVODKEKGBNII-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000848987733 588426216 /nfs/dbraw/zinc/42/62/16/588426216.db2.gz WDVODMMUGUBKFT-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995529 588428728 /nfs/dbraw/zinc/42/87/28/588428728.db2.gz OUAQGURKNFQBQJ-NSHDSACASA-N 2 0 224.352 1.161 20 30 BDEDRP CCNC(NCC[C@H]1CCC[N@H+](C)C1)=[NH+]CC ZINC000849040914 588448032 /nfs/dbraw/zinc/44/80/32/588448032.db2.gz GDDUVRAFWXWJBO-GFCCVEGCSA-N 2 0 240.395 1.293 20 30 BDEDRP C=CCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041680 588448350 /nfs/dbraw/zinc/44/83/50/588448350.db2.gz VHPIQJDFPUZPIA-NSHDSACASA-N 2 0 224.352 1.018 20 30 BDEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])C2 ZINC000873274404 590016977 /nfs/dbraw/zinc/01/69/77/590016977.db2.gz DBZVNWLMVUJHRT-KFWWJZLASA-N 2 0 241.338 1.495 20 30 BDEDRP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1C[NH2+]C1 ZINC000873276907 590017332 /nfs/dbraw/zinc/01/73/32/590017332.db2.gz YNLDXKXRTGFYNQ-ZUZCIYMTSA-N 2 0 241.338 1.223 20 30 BDEDRP C#CCN(CCC[NH+](CC)CC)C1CSC1 ZINC000878910355 590641391 /nfs/dbraw/zinc/64/13/91/590641391.db2.gz SDBGQQBPDOVAFF-UHFFFAOYSA-N 2 0 240.416 1.769 20 30 BDEDRP C#CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517787 591083029 /nfs/dbraw/zinc/08/30/29/591083029.db2.gz WZWWSQWAUKHGIM-UHFFFAOYSA-N 2 0 208.349 1.818 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000883390203 591641140 /nfs/dbraw/zinc/64/11/40/591641140.db2.gz HYSVQTNBKJHIQW-YNEHKIRRSA-N 2 0 226.364 1.386 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000883390268 591641784 /nfs/dbraw/zinc/64/17/84/591641784.db2.gz IRKPUBUKIIWYAA-BZPMIXESSA-N 2 0 238.375 1.386 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000883429440 591660078 /nfs/dbraw/zinc/66/00/78/591660078.db2.gz VZUDDERLVGKSCV-YUTCNCBUSA-N 2 0 238.375 1.779 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000883429439 591660918 /nfs/dbraw/zinc/66/09/18/591660918.db2.gz VZUDDERLVGKSCV-BNOWGMLFSA-N 2 0 238.375 1.779 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000883431822 591662692 /nfs/dbraw/zinc/66/26/92/591662692.db2.gz DVIHNQYJCWJXQF-WCQYABFASA-N 2 0 249.362 1.338 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000883434422 591663695 /nfs/dbraw/zinc/66/36/95/591663695.db2.gz QWXOBGYOQLAENU-LBPRGKRZSA-N 2 0 226.364 1.651 20 30 BDEDRP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000886365296 592216928 /nfs/dbraw/zinc/21/69/28/592216928.db2.gz FMPKPWMWTVYCGU-ZIAGYGMSSA-N 2 0 238.375 1.033 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000893527947 634563314 /nfs/dbraw/zinc/56/33/14/634563314.db2.gz SSLSHQJAHKOMKJ-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000925882481 635610684 /nfs/dbraw/zinc/61/06/84/635610684.db2.gz NAFGVROYEJMQQH-YVECIDJPSA-N 2 0 221.348 1.786 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303971322 635934167 /nfs/dbraw/zinc/93/41/67/635934167.db2.gz DJBJKBBHRMZXAX-UHFFFAOYSA-N 2 0 228.384 1.277 20 30 BDEDRP C=CCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328559799 633775876 /nfs/dbraw/zinc/77/58/76/633775876.db2.gz FCLAIGOEOSXIKL-NWBUJAPZSA-N 2 0 206.333 1.539 20 30 BDEDRP C=CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328559800 633776383 /nfs/dbraw/zinc/77/63/83/633776383.db2.gz FCLAIGOEOSXIKL-OBPIAQAESA-N 2 0 206.333 1.539 20 30 BDEDRP CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925671783 634256851 /nfs/dbraw/zinc/25/68/51/634256851.db2.gz GDBNFOAGCQQBAC-MEBFFEOJSA-N 2 0 247.386 1.902 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925683613 634286534 /nfs/dbraw/zinc/28/65/34/634286534.db2.gz TXLHCCBADCBVBM-WRWGMCAJSA-N 2 0 222.332 1.189 20 30 BDEDRP C[NH+]1CCC(C[NH+]2CCC(CC#N)CC2)CC1 ZINC000260090361 635303101 /nfs/dbraw/zinc/30/31/01/635303101.db2.gz PMIVYRYMBNBULA-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925815102 635382109 /nfs/dbraw/zinc/38/21/09/635382109.db2.gz SZBKBYCCTRBPLP-SMDDNHRTSA-N 2 0 247.317 1.914 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438840 640201628 /nfs/dbraw/zinc/20/16/28/640201628.db2.gz QFUJXSVRHQJVJV-CRWXNKLISA-N 2 0 233.359 1.562 20 30 BDEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903795 640936423 /nfs/dbraw/zinc/93/64/23/640936423.db2.gz AINLCQSGUDJBLZ-LBPRGKRZSA-N 2 0 240.395 1.375 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170914458 640938649 /nfs/dbraw/zinc/93/86/49/640938649.db2.gz FSQLKTMZJZHOQU-UHFFFAOYSA-N 2 0 235.335 1.148 20 30 BDEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000157385804 641618638 /nfs/dbraw/zinc/61/86/38/641618638.db2.gz HDTNSXXTOMTFKD-LBPRGKRZSA-N 2 0 240.395 1.231 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000305802294 642699319 /nfs/dbraw/zinc/69/93/19/642699319.db2.gz DVHYAFDKAYYRPE-JTQLQIEISA-N 2 0 226.368 1.126 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])Nc1ccccc1 ZINC000304270917 643094918 /nfs/dbraw/zinc/09/49/18/643094918.db2.gz DXJQJYKGBNIEIZ-UHFFFAOYSA-N 2 0 234.347 1.801 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923288467 644323800 /nfs/dbraw/zinc/32/38/00/644323800.db2.gz KAKNRVCMJVJVHI-AGIUHOORSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923294780 644332274 /nfs/dbraw/zinc/33/22/74/644332274.db2.gz PMGBRJNGMOSBNE-STQMWFEESA-N 2 0 228.380 1.619 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334024 644354637 /nfs/dbraw/zinc/35/46/37/644354637.db2.gz GMADXTLXQQPCML-CHWSQXEVSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355488 644373577 /nfs/dbraw/zinc/37/35/77/644373577.db2.gz MSWKATMNUCVOCK-UONOGXRCSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923376547 644392424 /nfs/dbraw/zinc/39/24/24/644392424.db2.gz YRFCJQCAPANVOE-XQQFMLRXSA-N 2 0 226.364 1.230 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923384429 644395651 /nfs/dbraw/zinc/39/56/51/644395651.db2.gz XJRUBRRNQNHSEQ-QJPTWQEYSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923383591 644396271 /nfs/dbraw/zinc/39/62/71/644396271.db2.gz UMKUGIQANBENNY-CRWXNKLISA-N 2 0 240.391 1.619 20 30 BDEDRP C=CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923387625 644398582 /nfs/dbraw/zinc/39/85/82/644398582.db2.gz XNHLPEMXQLXBDF-CYDGBPFRSA-N 2 0 224.348 1.125 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1C[NH3+] ZINC000923490330 644464490 /nfs/dbraw/zinc/46/44/90/644464490.db2.gz MXZSQVQZMONFQG-GHMZBOCLSA-N 2 0 233.315 1.568 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492939 644468031 /nfs/dbraw/zinc/46/80/31/644468031.db2.gz ZPQKZWGJDDYHHH-OLZOCXBDSA-N 2 0 243.354 1.975 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303388409 644819773 /nfs/dbraw/zinc/81/97/73/644819773.db2.gz XCUXXJUFBIXTTH-GXSJLCMTSA-N 2 0 226.368 1.029 20 30 BDEDRP CC[NH+](CC)CCCNC(=[NH2+])NCCC(C)C ZINC000303723914 644842395 /nfs/dbraw/zinc/84/23/95/644842395.db2.gz ZIXFMEOESNNRQM-UHFFFAOYSA-N 2 0 242.411 1.669 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000303882547 644854795 /nfs/dbraw/zinc/85/47/95/644854795.db2.gz IENDRLXKGXMKRQ-SNVBAGLBSA-N 2 0 214.357 1.031 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972713 644861635 /nfs/dbraw/zinc/86/16/35/644861635.db2.gz GCDBGKWBRWFWIP-UHFFFAOYSA-N 2 0 226.368 1.127 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000304736370 644927165 /nfs/dbraw/zinc/92/71/65/644927165.db2.gz ABDLOZKCRGQFQB-NSHDSACASA-N 2 0 226.368 1.175 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000304743605 644928967 /nfs/dbraw/zinc/92/89/67/644928967.db2.gz DERKDIOJNOCUSY-NSHDSACASA-N 2 0 226.368 1.174 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000304754420 644931113 /nfs/dbraw/zinc/93/11/13/644931113.db2.gz LWJSVCFKTPXJIR-LBPRGKRZSA-N 2 0 238.379 1.129 20 30 BDEDRP C#CC[NH+](C)CCCC[N@H+](CC#C)C[C@H]1C[C@@H]1C ZINC000859740543 645686127 /nfs/dbraw/zinc/68/61/27/645686127.db2.gz NUPCXZFQHJJWLH-JKSUJKDBSA-N 2 0 246.398 1.923 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925550354 646326261 /nfs/dbraw/zinc/32/62/61/646326261.db2.gz RGMCHZINELQKLY-KGLIPLIRSA-N 2 0 249.402 1.496 20 30 BDEDRP C=CCOCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925632189 646376841 /nfs/dbraw/zinc/37/68/41/646376841.db2.gz OWPXOXRGOYBASM-AGIUHOORSA-N 2 0 238.375 1.555 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925630219 646377119 /nfs/dbraw/zinc/37/71/19/646377119.db2.gz OLYPMGSZSZETAS-CHWSQXEVSA-N 2 0 238.375 1.435 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925702812 646427348 /nfs/dbraw/zinc/42/73/48/646427348.db2.gz DYPAKUVODNCQNH-ZDEQEGDKSA-N 2 0 236.359 1.437 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925709875 646433967 /nfs/dbraw/zinc/43/39/67/646433967.db2.gz OYJNOLIZDVOJKN-LLVKDONJSA-N 2 0 212.337 1.309 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000925783259 646479350 /nfs/dbraw/zinc/47/93/50/646479350.db2.gz DUQZKXNIVJHEEY-FVCCEPFGSA-N 2 0 221.348 1.514 20 30 BDEDRP C=CCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382072590 710774049 /nfs/dbraw/zinc/77/40/49/710774049.db2.gz SLSPEZMPKDQZAE-YHQUGGNUSA-N 2 0 220.360 1.929 20 30 BDEDRP C#C[C@@H](CC)NCc1ncc(CN(C)C)s1 ZINC000390785290 711134429 /nfs/dbraw/zinc/13/44/29/711134429.db2.gz OHQZKMCZNVOPMO-JTQLQIEISA-N 2 0 237.372 1.706 20 30 BDEDRP CCNC(NCC1CC[NH+](CC)CC1)=[NH+]CC ZINC000395710575 711214350 /nfs/dbraw/zinc/21/43/50/711214350.db2.gz JJCISCPTBDHGEU-UHFFFAOYSA-N 2 0 240.395 1.293 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723713664 711535547 /nfs/dbraw/zinc/53/55/47/711535547.db2.gz XFHMVTDXGPOSMO-AWEZNQCLSA-N 2 0 229.327 1.729 20 30 BDEDRP C=C(C)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710643407 712264962 /nfs/dbraw/zinc/26/49/62/712264962.db2.gz VRWQRVXDEWKHQA-UHFFFAOYSA-N 2 0 226.364 1.341 20 30 BDEDRP C=CCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209161826 957336771 /nfs/dbraw/zinc/33/67/71/957336771.db2.gz FHMUVPNNGINFNZ-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP N#Cc1cc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001159779929 964194356 /nfs/dbraw/zinc/19/43/56/964194356.db2.gz LJHGWFJVDKPSQA-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252574002 968825440 /nfs/dbraw/zinc/82/54/40/968825440.db2.gz KEZYUWRVTOXVQC-YVECIDJPSA-N 2 0 224.348 1.138 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000405230199 971212213 /nfs/dbraw/zinc/21/22/13/971212213.db2.gz AHDQTGYZLRNVHK-KBPBESRZSA-N 2 0 241.338 1.918 20 30 BDEDRP C=CCOCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405434602 971254489 /nfs/dbraw/zinc/25/44/89/971254489.db2.gz BTRBYRJQTYDHFV-QWRGUYRKSA-N 2 0 210.321 1.049 20 30 BDEDRP CC(C)C[NH+]1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001258007873 971554116 /nfs/dbraw/zinc/55/41/16/971554116.db2.gz VYBRYYQGDJNQAN-UHFFFAOYSA-N 2 0 235.375 1.999 20 30 BDEDRP C=CCOCc1cccc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170902930 972072345 /nfs/dbraw/zinc/07/23/45/972072345.db2.gz HPYOZZVWFVUGKT-AWEZNQCLSA-N 2 0 249.358 1.825 20 30 BDEDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)CC/C2=N/O ZINC001170903204 972073709 /nfs/dbraw/zinc/07/37/09/972073709.db2.gz HWOLXEXNXOYUGV-IGWPVBGESA-N 2 0 248.330 1.247 20 30 BDEDRP C=C[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246027085 972120485 /nfs/dbraw/zinc/12/04/85/972120485.db2.gz WPGCNMQCZGZYBP-XQQFMLRXSA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090877 972145658 /nfs/dbraw/zinc/14/56/58/972145658.db2.gz MIYZFLXBSRMUAT-VXGBXAGGSA-N 2 0 209.337 1.800 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218206650 959888589 /nfs/dbraw/zinc/88/85/89/959888589.db2.gz MWMFRXONLADFFW-AWEZNQCLSA-N 2 0 230.311 1.587 20 30 BDEDRP Cc1ccc(CC#N)c(N(C)C2CC[NH2+]CC2)n1 ZINC001156180882 963276223 /nfs/dbraw/zinc/27/62/23/963276223.db2.gz QZGLXZFBEZRKHJ-UHFFFAOYSA-N 2 0 244.342 1.644 20 30 BDEDRP C#CC[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895563077 963435204 /nfs/dbraw/zinc/43/52/04/963435204.db2.gz SSRCVCKNQPTLTD-CYBMUJFWSA-N 2 0 220.360 1.673 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001168312051 964417387 /nfs/dbraw/zinc/41/73/87/964417387.db2.gz IBDKAKOJWFMEID-UHFFFAOYSA-N 2 0 221.348 1.751 20 30 BDEDRP CC(C)N(CCC[NH3+])c1cc[nH+]c(CC#N)c1 ZINC001164126980 965748973 /nfs/dbraw/zinc/74/89/73/965748973.db2.gz MMYLLCOCDVYYLP-UHFFFAOYSA-N 2 0 232.331 1.711 20 30 BDEDRP C#Cc1cccc(CN2CCC[C@@H]2C[NH3+])c1 ZINC001236247784 966320047 /nfs/dbraw/zinc/32/00/47/966320047.db2.gz ZMAWQVZNNUBHOT-CQSZACIVSA-N 2 0 214.312 1.591 20 30 BDEDRP Cn1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1C#N ZINC001206615505 968417927 /nfs/dbraw/zinc/41/79/27/968417927.db2.gz GKSSXVMHVVFWGP-LBPRGKRZSA-N 2 0 246.358 1.458 20 30 BDEDRP CCC[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC001207398515 968753119 /nfs/dbraw/zinc/75/31/19/968753119.db2.gz WLOANGQHDNLSND-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252602584 968859988 /nfs/dbraw/zinc/85/99/88/968859988.db2.gz UZTSALXGQDXWRU-ZDUSSCGKSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252614609 968872615 /nfs/dbraw/zinc/87/26/15/968872615.db2.gz MTELHLZNKBGYLZ-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252620551 968879257 /nfs/dbraw/zinc/87/92/57/968879257.db2.gz WOJZROHMXXVXDI-RDBSUJKOSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@@H](O)CN1CCC([N@H+](C)C2CC2)CC1 ZINC001253583974 969259549 /nfs/dbraw/zinc/25/95/49/969259549.db2.gz CGZXMPVKVFMGSB-CYBMUJFWSA-N 2 0 224.348 1.092 20 30 BDEDRP C=C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253588042 969276837 /nfs/dbraw/zinc/27/68/37/969276837.db2.gz RGKOZHSAQDYLQY-CQSZACIVSA-N 2 0 240.391 1.730 20 30 BDEDRP C=C[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001253597706 969288390 /nfs/dbraw/zinc/28/83/90/969288390.db2.gz IIHSOZYSPKWQOE-CQSZACIVSA-N 2 0 234.343 1.385 20 30 BDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001253600386 969293249 /nfs/dbraw/zinc/29/32/49/969293249.db2.gz CDAQHFDLVQRWFY-ZDUSSCGKSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001253607260 969304306 /nfs/dbraw/zinc/30/43/06/969304306.db2.gz TXQKLGHXWYDWKK-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001253607077 969304412 /nfs/dbraw/zinc/30/44/12/969304412.db2.gz RNHFZZIRCNPWPI-NSHDSACASA-N 2 0 231.299 1.242 20 30 BDEDRP C#CCCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001209268016 969419730 /nfs/dbraw/zinc/41/97/30/969419730.db2.gz PPDRNMDYOYTUBL-UHFFFAOYSA-N 2 0 243.354 1.925 20 30 BDEDRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254656193 969766086 /nfs/dbraw/zinc/76/60/86/969766086.db2.gz IXIOYCVQNUJCDJ-SRVKXCTJSA-N 2 0 207.321 1.220 20 30 BDEDRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254676849 969784190 /nfs/dbraw/zinc/78/41/90/969784190.db2.gz OJTNEVQKVBGESK-QWHCGFSZSA-N 2 0 223.364 1.952 20 30 BDEDRP CCCCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000200474674 970117097 /nfs/dbraw/zinc/11/70/97/970117097.db2.gz VMYBAJDMJWQEHB-UHFFFAOYSA-N 2 0 241.423 1.842 20 30 BDEDRP N#Cc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222531940 972545655 /nfs/dbraw/zinc/54/56/55/972545655.db2.gz GBYPBIFAPXPUHU-UHFFFAOYSA-N 2 0 247.317 1.821 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222533400 972555150 /nfs/dbraw/zinc/55/51/50/972555150.db2.gz XJNXRCKSBJXUBJ-UHFFFAOYSA-N 2 0 247.317 1.821 20 30 BDEDRP C=CCCC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711534 973229490 /nfs/dbraw/zinc/22/94/90/973229490.db2.gz UVJJDSFTDUCBQP-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCOCC[NH3+] ZINC001172302108 974517251 /nfs/dbraw/zinc/51/72/51/974517251.db2.gz DJVZZWDYRLLWIU-GFCCVEGCSA-N 2 0 247.342 1.054 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC000691570679 977161103 /nfs/dbraw/zinc/16/11/03/977161103.db2.gz BFWHEZLTHAGPFO-CYBMUJFWSA-N 2 0 221.348 1.564 20 30 BDEDRP N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cncn2C1 ZINC001336726901 977886043 /nfs/dbraw/zinc/88/60/43/977886043.db2.gz FZVZFUBGELMKPC-RYUDHWBXSA-N 2 0 243.314 1.231 20 30 BDEDRP C[C@H]([NH2+]CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000691584971 978417317 /nfs/dbraw/zinc/41/73/17/978417317.db2.gz IRYULCXQZHYBDE-NSHDSACASA-N 2 0 221.348 1.610 20 30 BDEDRP C=CC[NH2+]CCN(CC)CC[NH+](CC)CC ZINC001235692211 979124700 /nfs/dbraw/zinc/12/47/00/979124700.db2.gz QNRQPCIUYYHXEJ-UHFFFAOYSA-N 2 0 227.396 1.426 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC001341673217 979517389 /nfs/dbraw/zinc/51/73/89/979517389.db2.gz ZKWQIEBVMQLGKA-RYUDHWBXSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000691839562 983816906 /nfs/dbraw/zinc/81/69/06/983816906.db2.gz BHDWPVAKTWKHIU-NEPJUHHUSA-N 2 0 224.348 1.439 20 30 BDEDRP C[N@H+](CCOCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000687776663 985380761 /nfs/dbraw/zinc/38/07/61/985380761.db2.gz JPIWFJMBQOZNJN-CYBMUJFWSA-N 2 0 239.363 1.190 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC001580056000 986450633 /nfs/dbraw/zinc/45/06/33/986450633.db2.gz FGWCSMHNTMDKBR-NWDGAFQWSA-N 2 0 207.321 1.268 20 30 BDEDRP CC[C@H](CC#N)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001255176091 986871685 /nfs/dbraw/zinc/87/16/85/986871685.db2.gz WTLWREZLTQYFBP-GFCCVEGCSA-N 2 0 221.348 1.706 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246023741 987318973 /nfs/dbraw/zinc/31/89/73/987318973.db2.gz SQQGCBQQENCPPE-NWDGAFQWSA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246033226 987334966 /nfs/dbraw/zinc/33/49/66/987334966.db2.gz UKDAXYFVAWKICB-RDBSUJKOSA-N 2 0 240.391 1.620 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246035182 987338196 /nfs/dbraw/zinc/33/81/96/987338196.db2.gz YQYBLXRNLJQANB-SRVKXCTJSA-N 2 0 230.327 1.075 20 30 BDEDRP CCCCCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230407 987626175 /nfs/dbraw/zinc/62/61/75/987626175.db2.gz KTZABDIUGMBQJG-ZDUSSCGKSA-N 2 0 239.407 1.640 20 30 BDEDRP C=CCC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246511511 987862038 /nfs/dbraw/zinc/86/20/38/987862038.db2.gz JBEVAKPHOYBFHT-NEPJUHHUSA-N 2 0 241.379 1.174 20 30 BDEDRP C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835934 988531547 /nfs/dbraw/zinc/53/15/47/988531547.db2.gz VXPHVZVIIXKDCZ-QSLWVIQJSA-N 2 0 233.359 1.893 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001521899923 989812898 /nfs/dbraw/zinc/81/28/98/989812898.db2.gz GVWKZXINEAGHOA-UTUOFQBUSA-N 2 0 239.363 1.008 20 30 BDEDRP C=CCC[C@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001258722940 991655075 /nfs/dbraw/zinc/65/50/75/991655075.db2.gz WPSAIXMUEVCYNC-AWEZNQCLSA-N 2 0 241.423 1.944 20 30 BDEDRP C#C[C@@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC001574459175 992863646 /nfs/dbraw/zinc/86/36/46/992863646.db2.gz ZAGFEWKVODOGMD-LLVKDONJSA-N 2 0 202.301 1.599 20 30 BDEDRP CC#CCC[NH2+]Cc1cccc(C[NH3+])c1 ZINC001574969174 992952915 /nfs/dbraw/zinc/95/29/15/992952915.db2.gz BFXRQALXRSZMQF-UHFFFAOYSA-N 2 0 202.301 1.648 20 30 BDEDRP C[C@H](C#N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120770 187323359 /nfs/dbraw/zinc/32/33/59/187323359.db2.gz SWCCJBNKEAUANC-LLVKDONJSA-N 2 0 209.337 1.420 20 30 BDEDRP CC#CCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000165114183 538934664 /nfs/dbraw/zinc/93/46/64/538934664.db2.gz OXPOATALDCVHOM-UHFFFAOYSA-N 2 0 208.349 1.864 20 30 BDEDRP C[C@H](CCC#N)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474483 349562457 /nfs/dbraw/zinc/56/24/57/349562457.db2.gz PQDZLFDLRLFHNV-FRRDWIJNSA-N 2 0 221.348 1.610 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602558463 349598560 /nfs/dbraw/zinc/59/85/60/349598560.db2.gz AUDHLPUVKIJTQP-JHJVBQTASA-N 2 0 223.364 1.999 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602534728 349602350 /nfs/dbraw/zinc/60/23/50/349602350.db2.gz QCRPRKJEJFMRDT-PNESKVBLSA-N 2 0 223.364 1.999 20 30 BDEDRP CC(C)(O)C[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000602604006 349626837 /nfs/dbraw/zinc/62/68/37/349626837.db2.gz FRIHVJLAELSNEL-UHFFFAOYSA-N 2 0 239.363 1.115 20 30 BDEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602670614 349665855 /nfs/dbraw/zinc/66/58/55/349665855.db2.gz AFESIRMOVIFWDN-KBPBESRZSA-N 2 0 235.375 1.954 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158008811 398340751 /nfs/dbraw/zinc/34/07/51/398340751.db2.gz GHRPZACNHXDBBU-CHWSQXEVSA-N 2 0 221.348 1.897 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1ccccn1 ZINC000176968979 346919136 /nfs/dbraw/zinc/91/91/36/346919136.db2.gz NAUVIZPGIXZTAJ-UHFFFAOYSA-N 2 0 249.362 1.540 20 30 BDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258299 136269091 /nfs/dbraw/zinc/26/90/91/136269091.db2.gz FKLFZWLYTVLBAO-MGPQQGTHSA-N 2 0 220.360 1.979 20 30 BDEDRP CC#CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350251997 136357041 /nfs/dbraw/zinc/35/70/41/136357041.db2.gz MPHOOAUDLQNMFA-CQSZACIVSA-N 2 0 238.375 1.442 20 30 BDEDRP C#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000133294038 344316851 /nfs/dbraw/zinc/31/68/51/344316851.db2.gz PHYCVXWBCROYMP-STQMWFEESA-N 2 0 206.333 1.426 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050245318 192084538 /nfs/dbraw/zinc/08/45/38/192084538.db2.gz HMILLFBAIWSRBR-ZDUSSCGKSA-N 2 0 215.300 1.339 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1C ZINC000158266296 345314109 /nfs/dbraw/zinc/31/41/09/345314109.db2.gz LYOXLRNHODTPDR-RYUDHWBXSA-N 2 0 221.348 1.753 20 30 BDEDRP CN(CCCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377396221 346632355 /nfs/dbraw/zinc/63/23/55/346632355.db2.gz CACFSKHUXOFHCQ-FUNVUKJBSA-N 2 0 221.348 1.847 20 30 BDEDRP CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000195522070 347457259 /nfs/dbraw/zinc/45/72/59/347457259.db2.gz GZQYWNOUVNLGCY-CYBMUJFWSA-N 2 0 246.358 1.358 20 30 BDEDRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000591577152 347676804 /nfs/dbraw/zinc/67/68/04/347676804.db2.gz QOYIZVSVFISKJM-RYUDHWBXSA-N 2 0 209.337 1.658 20 30 BDEDRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000591577153 347676949 /nfs/dbraw/zinc/67/69/49/347676949.db2.gz QOYIZVSVFISKJM-VXGBXAGGSA-N 2 0 209.337 1.658 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470673 347789568 /nfs/dbraw/zinc/78/95/68/347789568.db2.gz COZBYNNLIYVIHW-GRYCIOLGSA-N 2 0 207.321 1.268 20 30 BDEDRP N#Cc1ccc2c(c1)CN(CCC[NH3+])C2 ZINC000594530114 348070387 /nfs/dbraw/zinc/07/03/87/348070387.db2.gz HOUUJXCZQNPBDC-UHFFFAOYSA-N 2 0 201.273 1.223 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000594512233 348061027 /nfs/dbraw/zinc/06/10/27/348061027.db2.gz VLUNSXKGAACBDC-WUHRBBMRSA-N 2 0 221.348 1.608 20 30 BDEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595887010 348389491 /nfs/dbraw/zinc/38/94/91/348389491.db2.gz BIOBDQVIBWTVNM-DOMZBBRYSA-N 2 0 243.354 1.770 20 30 BDEDRP C=CCOCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000303549839 490165889 /nfs/dbraw/zinc/16/58/89/490165889.db2.gz JCBRHWLPLDFWHV-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000596649893 348604982 /nfs/dbraw/zinc/60/49/82/348604982.db2.gz HDGXWORDMHEPHF-GJZGRUSLSA-N 2 0 243.354 1.960 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000596653279 348606918 /nfs/dbraw/zinc/60/69/18/348606918.db2.gz ZNOARMPOYRFINU-ZIAGYGMSSA-N 2 0 229.327 1.570 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000596653278 348607054 /nfs/dbraw/zinc/60/70/54/348607054.db2.gz ZNOARMPOYRFINU-UONOGXRCSA-N 2 0 229.327 1.570 20 30 BDEDRP Cc1nccn1CCN(C[C@@H](C)C#N)C1CC1 ZINC000336716599 350472070 /nfs/dbraw/zinc/47/20/70/350472070.db2.gz VVXQQXRYJMAYFW-NSHDSACASA-N 2 0 232.331 1.816 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336740146 352368533 /nfs/dbraw/zinc/36/85/33/352368533.db2.gz LZCWVUGFPBOCBN-FRRDWIJNSA-N 2 0 226.364 1.101 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252728450 353302943 /nfs/dbraw/zinc/30/29/43/353302943.db2.gz BMHMDDMHWKQFIA-CHWSQXEVSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393853469 353851781 /nfs/dbraw/zinc/85/17/81/353851781.db2.gz WVKQOUYSJXPEJQ-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334541160 353975601 /nfs/dbraw/zinc/97/56/01/353975601.db2.gz SVHSRCNZYQJNJW-CHWSQXEVSA-N 2 0 208.349 1.979 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000334616689 354303954 /nfs/dbraw/zinc/30/39/54/354303954.db2.gz VJXLHDYXJLBMRV-WNYYMSAVSA-N 2 0 207.321 1.538 20 30 BDEDRP C=CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639307099 355662363 /nfs/dbraw/zinc/66/23/63/355662363.db2.gz NYXVWCVPIBLLJP-UHFFFAOYSA-N 2 0 226.364 1.387 20 30 BDEDRP CC#CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683246 356593236 /nfs/dbraw/zinc/59/32/36/356593236.db2.gz UDEUDEHFMWXQDX-UHFFFAOYSA-N 2 0 229.327 1.617 20 30 BDEDRP CCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264125950 535423830 /nfs/dbraw/zinc/42/38/30/535423830.db2.gz WKBZFEFZTCQDNB-UHFFFAOYSA-N 2 0 234.347 1.172 20 30 BDEDRP C=CCCC[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308825525 491138252 /nfs/dbraw/zinc/13/82/52/491138252.db2.gz DNQOJSHYZZBZEL-YNEHKIRRSA-N 2 0 208.349 1.882 20 30 BDEDRP N#CC1(CN2CCC[C@H](n3ccnc3)C2)CC1 ZINC000611429552 359367338 /nfs/dbraw/zinc/36/73/38/359367338.db2.gz OJHCVJWOSGSHNQ-LBPRGKRZSA-N 2 0 230.315 1.824 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000309498120 491150243 /nfs/dbraw/zinc/15/02/43/491150243.db2.gz ZAAZMFSGZQSIRB-OLZOCXBDSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCOCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429003795 201057784 /nfs/dbraw/zinc/05/77/84/201057784.db2.gz KVHWPJVJQNFKFO-CQSZACIVSA-N 2 0 238.375 1.607 20 30 BDEDRP C=CCCCCC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000574816611 365151345 /nfs/dbraw/zinc/15/13/45/365151345.db2.gz PILNLXNCZGVMRD-CYBMUJFWSA-N 2 0 228.380 1.635 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367592551 367087203 /nfs/dbraw/zinc/08/72/03/367087203.db2.gz DBVLTAPJDFAWGN-MCIONIFRSA-N 2 0 220.360 1.862 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581022193 367239479 /nfs/dbraw/zinc/23/94/79/367239479.db2.gz NPYRIFPRJNYVLE-SDDRHHMPSA-N 2 0 212.337 1.031 20 30 BDEDRP N#Cc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769559 369560656 /nfs/dbraw/zinc/56/06/56/369560656.db2.gz OSTMEWJXODNGEK-CYBMUJFWSA-N 2 0 231.299 1.337 20 30 BDEDRP CN(Cc1ccc(C#N)o1)CC(C)(C)C[NH3+] ZINC000600767762 369560931 /nfs/dbraw/zinc/56/09/31/369560931.db2.gz COVPEBSNOPZIBM-UHFFFAOYSA-N 2 0 221.304 1.568 20 30 BDEDRP CC[C@@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769803 369562771 /nfs/dbraw/zinc/56/27/71/369562771.db2.gz ZWLXJNMSXMRHHN-MFKMUULPSA-N 2 0 233.315 1.710 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000600769816 369563693 /nfs/dbraw/zinc/56/36/93/369563693.db2.gz RTFVYTCKRNXXSM-LLVKDONJSA-N 2 0 233.315 1.712 20 30 BDEDRP N#Cc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000600769636 369563914 /nfs/dbraw/zinc/56/39/14/369563914.db2.gz QEVQPMPUMWVAOV-AWEZNQCLSA-N 2 0 245.326 1.727 20 30 BDEDRP C[N@H+](Cc1cccc(C#N)c1)CC(C)(C)C[NH3+] ZINC000093861155 371188011 /nfs/dbraw/zinc/18/80/11/371188011.db2.gz DLHUJTDSYAAWJT-UHFFFAOYSA-N 2 0 231.343 1.975 20 30 BDEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424328769 206037312 /nfs/dbraw/zinc/03/73/12/206037312.db2.gz ONBZZLJUEVUHHJ-FQUUOJAGSA-N 2 0 235.375 1.999 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000335024786 384011847 /nfs/dbraw/zinc/01/18/47/384011847.db2.gz FETPDNVALSRHTG-CHWSQXEVSA-N 2 0 233.290 1.667 20 30 BDEDRP C#CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000378153155 533045860 /nfs/dbraw/zinc/04/58/60/533045860.db2.gz SYZBCBWCMHTZJW-UHFFFAOYSA-N 2 0 236.359 1.054 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363710819 384721365 /nfs/dbraw/zinc/72/13/65/384721365.db2.gz FXITYPPRPSJNAE-MGPQQGTHSA-N 2 0 238.375 1.651 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000158071566 385337556 /nfs/dbraw/zinc/33/75/56/385337556.db2.gz ZALARKRAEDTXJX-OLZOCXBDSA-N 2 0 233.359 1.897 20 30 BDEDRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309625167 385753417 /nfs/dbraw/zinc/75/34/17/385753417.db2.gz GELXFWLQESWRNN-STQMWFEESA-N 2 0 221.348 1.610 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335502718 386632374 /nfs/dbraw/zinc/63/23/74/386632374.db2.gz WXWUOIJBALZBPC-YWPUVAFDSA-N 2 0 221.348 1.928 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNc1cc(C)ncc1C#N ZINC000399386088 386783410 /nfs/dbraw/zinc/78/34/10/386783410.db2.gz QKMCXMAPGMPJDA-CYBMUJFWSA-N 2 0 244.342 1.580 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH3+])CC2 ZINC000423337359 387186066 /nfs/dbraw/zinc/18/60/66/387186066.db2.gz VJUTVLBYCRCZCH-AWEZNQCLSA-N 2 0 229.327 1.874 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423519620 387352631 /nfs/dbraw/zinc/35/26/31/387352631.db2.gz PLQFJRIVHWDUBE-QWHCGFSZSA-N 2 0 226.364 1.699 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422854485 387737804 /nfs/dbraw/zinc/73/78/04/387737804.db2.gz AVGLBJDXOKVPHT-JSGCOSHPSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423014968 387838175 /nfs/dbraw/zinc/83/81/75/387838175.db2.gz JRAQNPSVCQPJNW-GLQYFDAESA-N 2 0 246.354 1.905 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423092327 387883268 /nfs/dbraw/zinc/88/32/68/387883268.db2.gz BJFZLHZFUHJIQP-RYUDHWBXSA-N 2 0 221.348 1.930 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423095474 387884653 /nfs/dbraw/zinc/88/46/53/387884653.db2.gz MLXBSZJNAJFTCO-XQHKEYJVSA-N 2 0 224.348 1.437 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423138140 387915802 /nfs/dbraw/zinc/91/58/02/387915802.db2.gz SGEKDYIGSKJOHT-FRRDWIJNSA-N 2 0 240.391 1.931 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423170193 387954318 /nfs/dbraw/zinc/95/43/18/387954318.db2.gz LGCICEKXDOQEBX-MNOVXSKESA-N 2 0 209.337 1.643 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000321043325 387937544 /nfs/dbraw/zinc/93/75/44/387937544.db2.gz TXOWWAFQVFJEDC-HONMWMINSA-N 2 0 232.327 1.658 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330543 387975956 /nfs/dbraw/zinc/97/59/56/387975956.db2.gz RALZAIPUQLRRMF-HTOAHKCRSA-N 2 0 235.375 1.997 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000516937309 256807392 /nfs/dbraw/zinc/80/73/92/256807392.db2.gz CAVHRFXCMJIKSH-RFGFWPKPSA-N 2 0 238.375 1.827 20 30 BDEDRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000038041062 388599557 /nfs/dbraw/zinc/59/95/57/388599557.db2.gz KQEPFVCSROEROH-NSHDSACASA-N 2 0 229.327 1.961 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985906 388686801 /nfs/dbraw/zinc/68/68/01/388686801.db2.gz AYKHMHCMEBSLKQ-VXGBXAGGSA-N 2 0 247.342 1.652 20 30 BDEDRP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000422994180 388687361 /nfs/dbraw/zinc/68/73/61/388687361.db2.gz UUFKIDHDQOYCND-LLVKDONJSA-N 2 0 245.326 1.135 20 30 BDEDRP N#Cc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000423111941 388687995 /nfs/dbraw/zinc/68/79/95/388687995.db2.gz WYRLZKOXBSYHJT-UHFFFAOYSA-N 2 0 229.327 1.442 20 30 BDEDRP C=CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336369526 134145274 /nfs/dbraw/zinc/14/52/74/134145274.db2.gz PRZSDPOMADCNAA-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367846716 134216612 /nfs/dbraw/zinc/21/66/12/134216612.db2.gz CFPQDQVQCZBSQX-KGLIPLIRSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCOCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338956409 135048334 /nfs/dbraw/zinc/04/83/34/135048334.db2.gz YWKZMBSSPOOTPD-UHFFFAOYSA-N 2 0 240.391 1.994 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277594 135236392 /nfs/dbraw/zinc/23/63/92/135236392.db2.gz LQRVPOCWMJDBCV-CHWSQXEVSA-N 2 0 240.391 1.633 20 30 BDEDRP CC(C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262469299 135300879 /nfs/dbraw/zinc/30/08/79/135300879.db2.gz OLTYYNQUDUSZGV-UHFFFAOYSA-N 2 0 238.379 1.316 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676685 135312657 /nfs/dbraw/zinc/31/26/57/135312657.db2.gz UFUVNFJDMQQLHO-RYUDHWBXSA-N 2 0 238.379 1.044 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC2(C[NH+](C)C)CCCC2)N1 ZINC000262681939 135312897 /nfs/dbraw/zinc/31/28/97/135312897.db2.gz WOGQRLDGFPUHKO-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2[N@H+](C)CCCC2(C)C)N1 ZINC000262679969 135313399 /nfs/dbraw/zinc/31/33/99/135313399.db2.gz VPZSPSNPDUCUSB-MNOVXSKESA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000643479645 398106865 /nfs/dbraw/zinc/10/68/65/398106865.db2.gz XWSZGNWPPGBKAN-NWDGAFQWSA-N 2 0 212.337 1.167 20 30 BDEDRP C=CCCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659942007 411506416 /nfs/dbraw/zinc/50/64/16/411506416.db2.gz RYYFWGSVZUJQRE-CYBMUJFWSA-N 2 0 228.380 1.586 20 30 BDEDRP C=CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291887 412082180 /nfs/dbraw/zinc/08/21/80/412082180.db2.gz AKCNNGVLOQHHAK-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665275226 412219652 /nfs/dbraw/zinc/21/96/52/412219652.db2.gz FTBGYTSJESNTGX-FOSCPWQOSA-N 2 0 210.321 1.062 20 30 BDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000163438252 176173595 /nfs/dbraw/zinc/17/35/95/176173595.db2.gz JWQDYIBLNSPCOA-DOMZBBRYSA-N 2 0 243.354 1.975 20 30 BDEDRP C=CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361682 487932794 /nfs/dbraw/zinc/93/27/94/487932794.db2.gz MIFSHPYJNVSQIQ-MJBXVCDLSA-N 2 0 238.375 1.923 20 30 BDEDRP C[NH+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000126617424 324707062 /nfs/dbraw/zinc/70/70/62/324707062.db2.gz CGHXJFHELIRNRD-UHFFFAOYSA-N 2 0 211.353 1.858 20 30 BDEDRP C=CCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367848777 534719985 /nfs/dbraw/zinc/71/99/85/534719985.db2.gz LAVGAOPDMPVLRS-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262436670 534843847 /nfs/dbraw/zinc/84/38/47/534843847.db2.gz XLQCLJGIBOWIHV-UHFFFAOYSA-N 2 0 236.363 1.094 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262534348 535502922 /nfs/dbraw/zinc/50/29/22/535502922.db2.gz PCOYJCIZNJMBLG-LBPRGKRZSA-N 2 0 240.395 1.340 20 30 BDEDRP CN1CC[NH+]=C1NCC1([NH+](C)C)CCCCC1 ZINC000262479848 536111346 /nfs/dbraw/zinc/11/13/46/536111346.db2.gz CVIGXPIVICSUPM-UHFFFAOYSA-N 2 0 238.379 1.142 20 30 BDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@H+](C)C1CC1 ZINC000103338702 582787160 /nfs/dbraw/zinc/78/71/60/582787160.db2.gz XAMLNBZUHPTPRV-NSHDSACASA-N 2 0 246.358 1.896 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000104191478 583162973 /nfs/dbraw/zinc/16/29/73/583162973.db2.gz IEIHLPCFMHBSAP-SNVBAGLBSA-N 2 0 214.357 1.031 20 30 BDEDRP CCNC(NCCC[NH2+]C(C)(C)C)=[NH+]CC ZINC000727241400 583624652 /nfs/dbraw/zinc/62/46/52/583624652.db2.gz DMZHOGSZQKBBRC-UHFFFAOYSA-N 2 0 228.384 1.340 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370667 584566292 /nfs/dbraw/zinc/56/62/92/584566292.db2.gz MMYDVGCARFWLNG-CHWSQXEVSA-N 2 0 240.391 1.539 20 30 BDEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCC#N)C1 ZINC000902375468 584568226 /nfs/dbraw/zinc/56/82/26/584568226.db2.gz VXMHVMKHWFOAFH-LLVKDONJSA-N 2 0 209.337 1.658 20 30 BDEDRP C[NH2+]C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903422678 584764350 /nfs/dbraw/zinc/76/43/50/584764350.db2.gz JCASFHLPNMGMNU-JXQTWKCFSA-N 2 0 235.375 1.858 20 30 BDEDRP C[C@]1(C#N)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464573 584771567 /nfs/dbraw/zinc/77/15/67/584771567.db2.gz RZDXDYVXCRSNJW-GRYCIOLGSA-N 2 0 207.321 1.349 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)COC ZINC000903766951 584797491 /nfs/dbraw/zinc/79/74/91/584797491.db2.gz DINSAOQWMFIWCJ-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757717 584798443 /nfs/dbraw/zinc/79/84/43/584798443.db2.gz GIKBWEKOWZHBEI-KBPBESRZSA-N 2 0 236.359 1.405 20 30 BDEDRP CNC(NCC1([NH+](C)C)CCCCCC1)=[NH+]C ZINC000750542609 585217259 /nfs/dbraw/zinc/21/72/59/585217259.db2.gz QDWKUVWMRVZIHQ-UHFFFAOYSA-N 2 0 240.395 1.436 20 30 BDEDRP C#CC[NH+](C)CCCCCC[N@@H+](C)CC#C ZINC000792297905 585999434 /nfs/dbraw/zinc/99/94/34/585999434.db2.gz AOAFEDGNSCJVSO-UHFFFAOYSA-N 2 0 220.360 1.677 20 30 BDEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000817961601 586852663 /nfs/dbraw/zinc/85/26/63/586852663.db2.gz AKBAKZGHADSFMD-OLZOCXBDSA-N 2 0 246.354 1.944 20 30 BDEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000817961600 586853187 /nfs/dbraw/zinc/85/31/87/586853187.db2.gz AKBAKZGHADSFMD-CHWSQXEVSA-N 2 0 246.354 1.944 20 30 BDEDRP CCNC(NCCC[NH+]1CCCCC1)=[NH+]CC ZINC000848982663 588424591 /nfs/dbraw/zinc/42/45/91/588424591.db2.gz SKHJMVMZLYSKAF-UHFFFAOYSA-N 2 0 240.395 1.437 20 30 BDEDRP C[C@H](CCNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000849018354 588437733 /nfs/dbraw/zinc/43/77/33/588437733.db2.gz MSBFZWPZMZBETA-GFCCVEGCSA-N 2 0 238.379 1.142 20 30 BDEDRP CNC(NCCCCC[NH+]1CCCC1)=[NH+]C ZINC000849033518 588443834 /nfs/dbraw/zinc/44/38/34/588443834.db2.gz OZNNGZGUJQWVHG-UHFFFAOYSA-N 2 0 226.368 1.047 20 30 BDEDRP C[NH+]=C(NCC[C@@H]1CCC[N@H+](C)C1)NC1CC1 ZINC000849041048 588447837 /nfs/dbraw/zinc/44/78/37/588447837.db2.gz IQKBMLYJYMDVKN-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP CCNC(NCC[C@@H]1CCC[N@H+](C)C1)=[NH+]CC ZINC000849040915 588448002 /nfs/dbraw/zinc/44/80/02/588448002.db2.gz GDDUVRAFWXWJBO-LBPRGKRZSA-N 2 0 240.395 1.293 20 30 BDEDRP C=CCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041677 588448193 /nfs/dbraw/zinc/44/81/93/588448193.db2.gz VHPIQJDFPUZPIA-LLVKDONJSA-N 2 0 224.352 1.018 20 30 BDEDRP C#CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760706 588700950 /nfs/dbraw/zinc/70/09/50/588700950.db2.gz LZCGKVTWERDKJL-CYBMUJFWSA-N 2 0 224.348 1.052 20 30 BDEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000873251394 590008353 /nfs/dbraw/zinc/00/83/53/590008353.db2.gz LZKVTKHPHYTIQP-VHRBIJSZSA-N 2 0 229.327 1.946 20 30 BDEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000873253081 590008994 /nfs/dbraw/zinc/00/89/94/590008994.db2.gz ZBJHIWDPCMILEW-QKCSRTOESA-N 2 0 229.327 1.946 20 30 BDEDRP CC1(C#N)CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873257331 590012583 /nfs/dbraw/zinc/01/25/83/590012583.db2.gz SVLRHEQGFQGHLY-KETTVSFTSA-N 2 0 221.348 1.786 20 30 BDEDRP C#CCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876818862 590246125 /nfs/dbraw/zinc/24/61/25/590246125.db2.gz ZKVJAQXZLFKKPM-OKILXGFUSA-N 2 0 220.360 1.721 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000876859607 590250570 /nfs/dbraw/zinc/25/05/70/590250570.db2.gz JMMJKYMKOXZJFY-VIFPVBQESA-N 2 0 247.770 1.090 20 30 BDEDRP C#CCSCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000130013829 591429517 /nfs/dbraw/zinc/42/95/17/591429517.db2.gz UFWUJPPJPVOIMH-GFCCVEGCSA-N 2 0 240.416 1.673 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155026 592601962 /nfs/dbraw/zinc/60/19/62/592601962.db2.gz VPRDOKUMSSPWEF-UHFFFAOYSA-N 2 0 228.384 1.277 20 30 BDEDRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1)[NH2+]2 ZINC000925702771 634378270 /nfs/dbraw/zinc/37/82/70/634378270.db2.gz DLAULJDVDXZAQB-BSCCGWMCSA-N 2 0 233.359 1.797 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892965 635618614 /nfs/dbraw/zinc/61/86/14/635618614.db2.gz IOBACZFGXWZINX-QWRGUYRKSA-N 2 0 247.346 1.081 20 30 BDEDRP CNC(NCC[N@H+](C)C1CCCCC1)=[NH+]C ZINC000161549178 632078231 /nfs/dbraw/zinc/07/82/31/632078231.db2.gz XJTIOIBPTFQEIQ-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925647673 634203342 /nfs/dbraw/zinc/20/33/42/634203342.db2.gz FEZCRNUZZHVFMM-QJPTWQEYSA-N 2 0 226.364 1.419 20 30 BDEDRP CNC(NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)=[NH+]C ZINC000303253148 636303440 /nfs/dbraw/zinc/30/34/40/636303440.db2.gz CIQKVCMBOQQEDV-VXGBXAGGSA-N 2 0 240.395 1.149 20 30 BDEDRP CC(C)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000303888127 636315813 /nfs/dbraw/zinc/31/58/13/636315813.db2.gz LFSPIVDYDWDJQN-UHFFFAOYSA-N 2 0 248.374 1.561 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCCCC1 ZINC000303901082 636317004 /nfs/dbraw/zinc/31/70/04/636317004.db2.gz SLMAEILKHBBVQX-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911798963 639820848 /nfs/dbraw/zinc/82/08/48/639820848.db2.gz CNFWTQRNJUOEHR-LLVKDONJSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCOCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439700 640207536 /nfs/dbraw/zinc/20/75/36/640207536.db2.gz XWDVRXLUUSQCLC-OLZOCXBDSA-N 2 0 224.348 1.073 20 30 BDEDRP C[C@H]1CCC[C@@](CNC(=[NH2+])N(C)C)([NH+](C)C)C1 ZINC000170909603 640937376 /nfs/dbraw/zinc/93/73/76/640937376.db2.gz FMCJXITZXVFEMQ-WCQYABFASA-N 2 0 240.395 1.373 20 30 BDEDRP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCC1 ZINC000933296785 642506682 /nfs/dbraw/zinc/50/66/82/642506682.db2.gz OCUSXGFGFNUHCM-ZDUSSCGKSA-N 2 0 238.375 1.223 20 30 BDEDRP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCC1 ZINC000933296784 642507622 /nfs/dbraw/zinc/50/76/22/642507622.db2.gz OCUSXGFGFNUHCM-CYBMUJFWSA-N 2 0 238.375 1.223 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305035239 642631794 /nfs/dbraw/zinc/63/17/94/642631794.db2.gz SGGGFTQJFBXMDE-GFCCVEGCSA-N 2 0 240.395 1.279 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305801262 642700296 /nfs/dbraw/zinc/70/02/96/642700296.db2.gz DJUCAWLAOSYMAC-LLVKDONJSA-N 2 0 238.379 1.127 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000305829607 642704315 /nfs/dbraw/zinc/70/43/15/642704315.db2.gz STNZPBHRDYOVNX-GFCCVEGCSA-N 2 0 238.379 1.270 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923334026 644354741 /nfs/dbraw/zinc/35/47/41/644354741.db2.gz GMADXTLXQQPCML-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000923384428 644396778 /nfs/dbraw/zinc/39/67/78/644396778.db2.gz XJRUBRRNQNHSEQ-IJLUTSLNSA-N 2 0 212.337 1.173 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303384260 644819752 /nfs/dbraw/zinc/81/97/52/644819752.db2.gz UVHWBIMBNSTMKZ-JTQLQIEISA-N 2 0 228.384 1.277 20 30 BDEDRP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000303464213 644827044 /nfs/dbraw/zinc/82/70/44/644827044.db2.gz CLUZMKMMAMTFOL-LLVKDONJSA-N 2 0 240.395 1.434 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303874142 644851702 /nfs/dbraw/zinc/85/17/02/644851702.db2.gz CURKNOXKHFTATN-LBPRGKRZSA-N 2 0 240.395 1.517 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N(CC)CC ZINC000303979241 644862415 /nfs/dbraw/zinc/86/24/15/644862415.db2.gz MYUVUOCYDZMZTQ-NSHDSACASA-N 2 0 228.384 1.373 20 30 BDEDRP CCNC(NC[C@H]1CCCC[N@@H+]1CC)=[NH+]CC ZINC000304062512 644868978 /nfs/dbraw/zinc/86/89/78/644868978.db2.gz QRAGQZWBOPAUAR-GFCCVEGCSA-N 2 0 240.395 1.436 20 30 BDEDRP CCCCCCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304751633 644929078 /nfs/dbraw/zinc/92/90/78/644929078.db2.gz JMQBYVPMJNBMLF-UHFFFAOYSA-N 2 0 242.411 1.859 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304756870 644931154 /nfs/dbraw/zinc/93/11/54/644931154.db2.gz ODJCVORYWCMPCZ-LLVKDONJSA-N 2 0 226.368 1.033 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926514111 645246103 /nfs/dbraw/zinc/24/61/03/645246103.db2.gz URVZGXLQQYJAJB-OFBDQPAMSA-N 2 0 247.386 1.999 20 30 BDEDRP C#C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000300848636 645898495 /nfs/dbraw/zinc/89/84/95/645898495.db2.gz DYWRAAGNZAJBSG-MJBXVCDLSA-N 2 0 220.360 1.861 20 30 BDEDRP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000300848638 645898515 /nfs/dbraw/zinc/89/85/15/645898515.db2.gz DYWRAAGNZAJBSG-RDBSUJKOSA-N 2 0 220.360 1.861 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925609923 646359480 /nfs/dbraw/zinc/35/94/80/646359480.db2.gz XRCDXGVHLWNBOS-LBPRGKRZSA-N 2 0 221.348 1.945 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925681306 646409204 /nfs/dbraw/zinc/40/92/04/646409204.db2.gz NNYLCSVWFBWUGY-RWMBFGLXSA-N 2 0 233.359 1.943 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925769508 646470674 /nfs/dbraw/zinc/47/06/74/646470674.db2.gz FGMLXDGBBIFTFS-SDDRHHMPSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382198338 711541402 /nfs/dbraw/zinc/54/14/02/711541402.db2.gz IWDFSDBLONTSAD-RJRAAQABSA-N 2 0 206.333 1.537 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CC[NH3+] ZINC000723899762 711545238 /nfs/dbraw/zinc/54/52/38/711545238.db2.gz FSNQRGLRAWYUFD-TZMCWYRMSA-N 2 0 243.354 1.975 20 30 BDEDRP C#CCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000178060096 711674580 /nfs/dbraw/zinc/67/45/80/711674580.db2.gz NOFGQJHSHURCCL-RYUDHWBXSA-N 2 0 206.333 1.615 20 30 BDEDRP C=C(Cl)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000725662267 711759247 /nfs/dbraw/zinc/75/92/47/711759247.db2.gz JJBKLYOYJHTKGQ-UHFFFAOYSA-N 2 0 214.740 1.814 20 30 BDEDRP C#CC[N@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000897170644 711784734 /nfs/dbraw/zinc/78/47/34/711784734.db2.gz DNJYEOFYNCVFQW-UHFFFAOYSA-N 2 0 208.349 1.672 20 30 BDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049292 711785727 /nfs/dbraw/zinc/78/57/27/711785727.db2.gz GNLBONAUILGQIR-LBPRGKRZSA-N 2 0 238.379 1.129 20 30 BDEDRP CC(C)([NH3+])CC[NH2+]Cc1cccc(C#N)c1 ZINC000304618629 711870050 /nfs/dbraw/zinc/87/00/50/711870050.db2.gz OVHGWDUVTLEVLB-UHFFFAOYSA-N 2 0 217.316 1.775 20 30 BDEDRP C#CCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705105414 712122522 /nfs/dbraw/zinc/12/25/22/712122522.db2.gz CPFYTQQNNFOQGI-ZDUSSCGKSA-N 2 0 208.349 1.673 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000714994646 712503177 /nfs/dbraw/zinc/50/31/77/712503177.db2.gz AQLPSQNMOJQGSM-LBPRGKRZSA-N 2 0 226.364 1.781 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000715043605 712504453 /nfs/dbraw/zinc/50/44/53/712504453.db2.gz NYZUMAOPLRSQCO-LBPRGKRZSA-N 2 0 226.364 1.340 20 30 BDEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000300854626 958768654 /nfs/dbraw/zinc/76/86/54/958768654.db2.gz FRLVDIGEBVAUDI-CYBMUJFWSA-N 2 0 208.349 1.576 20 30 BDEDRP C=CCCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665389 967756434 /nfs/dbraw/zinc/75/64/34/967756434.db2.gz QSPRZMXUNBDZFM-CQSZACIVSA-N 2 0 240.391 1.909 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001208111041 969008391 /nfs/dbraw/zinc/00/83/91/969008391.db2.gz AUCCWJYLXLRAIZ-LBPRGKRZSA-N 2 0 221.348 1.564 20 30 BDEDRP C#C[C@](C)(CC)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254505821 969676741 /nfs/dbraw/zinc/67/67/41/969676741.db2.gz JPRQNYAJUPPOIG-QWHCGFSZSA-N 2 0 208.349 1.862 20 30 BDEDRP C#CC1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529803 969734163 /nfs/dbraw/zinc/73/41/63/969734163.db2.gz QVPVRQFKLXNYJL-CQSZACIVSA-N 2 0 220.360 1.816 20 30 BDEDRP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254676850 969784470 /nfs/dbraw/zinc/78/44/70/969784470.db2.gz OJTNEVQKVBGESK-STQMWFEESA-N 2 0 223.364 1.952 20 30 BDEDRP C=CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC001342228571 979720473 /nfs/dbraw/zinc/72/04/73/979720473.db2.gz KTRQEFYGLDHPEV-ZIAGYGMSSA-N 2 0 238.375 1.748 20 30 BDEDRP CCCCCCCOC(=O)N(CC[NH3+])CC[NH3+] ZINC001239334906 980541798 /nfs/dbraw/zinc/54/17/98/980541798.db2.gz RTKYPLSZJFRZNG-UHFFFAOYSA-N 2 0 245.367 1.313 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC001357363092 983696561 /nfs/dbraw/zinc/69/65/61/983696561.db2.gz WBHUNNIJJUDWAN-GFCCVEGCSA-N 2 0 241.379 1.128 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544674 972605930 /nfs/dbraw/zinc/60/59/30/972605930.db2.gz YARMCGRXFXSUSR-QJPTWQEYSA-N 2 0 209.337 1.595 20 30 BDEDRP C=C(C)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256678473 970916034 /nfs/dbraw/zinc/91/60/34/970916034.db2.gz WVJZEBRBNPPIAG-UHFFFAOYSA-N 2 0 238.375 1.796 20 30 BDEDRP CC(C)[NH+]1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001257213900 971128863 /nfs/dbraw/zinc/12/88/63/971128863.db2.gz UALSARNJTDXBKT-UHFFFAOYSA-N 2 0 221.348 1.751 20 30 BDEDRP N#CC1(c2ccc(N[C@H]([NH3+])CCC[NH3+])nc2)CC1 ZINC001170897095 972052763 /nfs/dbraw/zinc/05/27/63/972052763.db2.gz DBGIXFFFIHEKRE-NSHDSACASA-N 2 0 245.330 1.072 20 30 BDEDRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1CC#N ZINC001170900852 972071001 /nfs/dbraw/zinc/07/10/01/972071001.db2.gz QSCKWCTUJPWOPD-ZDUSSCGKSA-N 2 0 232.331 1.497 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246026646 972120391 /nfs/dbraw/zinc/12/03/91/972120391.db2.gz WPGCNMQCZGZYBP-AVGNSLFASA-N 2 0 226.364 1.230 20 30 BDEDRP N#Cc1ccc(C(=[NH2+])N[C@H]2CCC[NH2+]C2)cc1 ZINC001246196491 972216093 /nfs/dbraw/zinc/21/60/93/972216093.db2.gz GKIBLGYWGBTVOV-LBPRGKRZSA-N 2 0 228.299 1.016 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345160369 957164394 /nfs/dbraw/zinc/16/43/94/957164394.db2.gz UYDASNOVJFUZPI-KGLIPLIRSA-N 2 0 238.375 1.653 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246304466 972264984 /nfs/dbraw/zinc/26/49/84/972264984.db2.gz LQYFVINMBMPMLO-RYUDHWBXSA-N 2 0 231.343 1.816 20 30 BDEDRP C=CCn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC001139772369 961499357 /nfs/dbraw/zinc/49/93/57/961499357.db2.gz GZJJERJZEVZYTB-OKILXGFUSA-N 2 0 246.358 1.063 20 30 BDEDRP Cc1nc(N(C)C2CC[NH2+]CC2)ccc1CC#N ZINC001156180395 963277286 /nfs/dbraw/zinc/27/72/86/963277286.db2.gz GSAOOFSQFQMVDR-UHFFFAOYSA-N 2 0 244.342 1.644 20 30 BDEDRP C=C(C)CN(CC)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001160689126 964388986 /nfs/dbraw/zinc/38/89/86/964388986.db2.gz VIIBGRCZTJUTPN-LBPRGKRZSA-N 2 0 241.379 1.128 20 30 BDEDRP C=CC[N@@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699212135 965816135 /nfs/dbraw/zinc/81/61/35/965816135.db2.gz SZNZTOCFRJJLRY-AGUYFDCRSA-N 2 0 238.375 1.651 20 30 BDEDRP C#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001205046301 967303932 /nfs/dbraw/zinc/30/39/32/967303932.db2.gz CBWVMZFSQPDWMG-UHFFFAOYSA-N 2 0 228.339 1.839 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000694587369 967888167 /nfs/dbraw/zinc/88/81/67/967888167.db2.gz FKXQLQDNIZJPDS-CYBMUJFWSA-N 2 0 221.348 1.564 20 30 BDEDRP C=CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205945638 967898001 /nfs/dbraw/zinc/89/80/01/967898001.db2.gz AGJVNICKIIUOAZ-VXGBXAGGSA-N 2 0 212.337 1.127 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984613 967937330 /nfs/dbraw/zinc/93/73/30/967937330.db2.gz SNZLTWXLRQFZEV-OLZOCXBDSA-N 2 0 208.349 1.707 20 30 BDEDRP C#Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206188227 968113620 /nfs/dbraw/zinc/11/36/20/968113620.db2.gz UVNYQLRJHINVBW-CABCVRRESA-N 2 0 246.329 1.929 20 30 BDEDRP C[N+](C)(C)C[C@@H](CC#N)OCC[NH+]1CCCC1 ZINC001206309281 968218664 /nfs/dbraw/zinc/21/86/64/968218664.db2.gz NGQHLPOFNOSYJB-CYBMUJFWSA-N 2 0 240.371 1.087 20 30 BDEDRP CCCCCCC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206507062 968345765 /nfs/dbraw/zinc/34/57/65/968345765.db2.gz YYSNKXMIKCHCBX-RYUDHWBXSA-N 2 0 214.353 1.208 20 30 BDEDRP C[NH+]1CCC(CC[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001207488061 968803552 /nfs/dbraw/zinc/80/35/52/968803552.db2.gz DSFZOSLIWWHXJJ-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252575601 968827882 /nfs/dbraw/zinc/82/78/82/968827882.db2.gz DEVMWYFCIMHICS-CYBMUJFWSA-N 2 0 226.364 1.389 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252579880 968833675 /nfs/dbraw/zinc/83/36/75/968833675.db2.gz YQBRAFRZQUPUPQ-LBPRGKRZSA-N 2 0 214.353 1.243 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC001252587772 968842147 /nfs/dbraw/zinc/84/21/47/968842147.db2.gz WZOBBRBAMAJPHU-CYBMUJFWSA-N 2 0 226.364 1.389 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252622666 968882647 /nfs/dbraw/zinc/88/26/47/968882647.db2.gz YLTQPWAVQOFWCI-IHRRRGAJSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCCC[N@H+]1CCc2nccn2CC1 ZINC001209163192 969366481 /nfs/dbraw/zinc/36/64/81/969366481.db2.gz VUVQNYPAAAKIJL-UHFFFAOYSA-N 2 0 205.305 1.707 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505820 969672167 /nfs/dbraw/zinc/67/21/67/969672167.db2.gz JPRQNYAJUPPOIG-OLZOCXBDSA-N 2 0 208.349 1.862 20 30 BDEDRP C#C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526618 969719529 /nfs/dbraw/zinc/71/95/29/969719529.db2.gz RYABGCDAYLVLON-KGLIPLIRSA-N 2 0 220.360 1.816 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552177 972735394 /nfs/dbraw/zinc/73/53/94/972735394.db2.gz VVTCIKMFKOUGBC-YWPYICTPSA-N 2 0 243.354 1.911 20 30 BDEDRP C=C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110737 974373939 /nfs/dbraw/zinc/37/39/39/974373939.db2.gz OCIWZGARDQYHGQ-ZDEQEGDKSA-N 2 0 224.348 1.138 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]CCSCC[NH3+] ZINC001172487159 974813015 /nfs/dbraw/zinc/81/30/15/974813015.db2.gz FFDZMCUHYFYRHF-SNVBAGLBSA-N 2 0 215.366 1.350 20 30 BDEDRP N#CCC1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001173326046 975275232 /nfs/dbraw/zinc/27/52/32/975275232.db2.gz RDOPSLAFEXRMFD-CXQJBGSLSA-N 2 0 207.321 1.492 20 30 BDEDRP CCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051894 978963466 /nfs/dbraw/zinc/96/34/66/978963466.db2.gz BQXMNLFYZPWOCO-CQSZACIVSA-N 2 0 239.407 1.594 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235859854 979166661 /nfs/dbraw/zinc/16/66/61/979166661.db2.gz PWWQVYUIKPLITK-OAHLLOKOSA-N 2 0 245.370 1.409 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235859853 979173693 /nfs/dbraw/zinc/17/36/93/979173693.db2.gz PWWQVYUIKPLITK-HNNXBMFYSA-N 2 0 245.370 1.409 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001341660559 979514631 /nfs/dbraw/zinc/51/46/31/979514631.db2.gz VULHDBWWPWGITP-SRVKXCTJSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252602308 983842801 /nfs/dbraw/zinc/84/28/01/983842801.db2.gz OVTHXHSUBPCBMM-MGPQQGTHSA-N 2 0 238.375 1.197 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253604912 986262741 /nfs/dbraw/zinc/26/27/41/986262741.db2.gz MUVZZEJQSXOONN-CYBMUJFWSA-N 2 0 224.348 1.140 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001253611319 986289636 /nfs/dbraw/zinc/28/96/36/986289636.db2.gz NJOUKCGMWFTZNS-MGPQQGTHSA-N 2 0 240.391 1.776 20 30 BDEDRP N#Cc1csc(C[NH2+]C[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC001580081331 986527480 /nfs/dbraw/zinc/52/74/80/986527480.db2.gz CVPQVRTUVZJOMM-DTWKUNHWSA-N 2 0 236.344 1.232 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245980336 987261350 /nfs/dbraw/zinc/26/13/50/987261350.db2.gz NSTCRYAQALOIPY-NEPJUHHUSA-N 2 0 224.348 1.045 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246017901 987303384 /nfs/dbraw/zinc/30/33/84/987303384.db2.gz CQMDQMVGABJSCJ-NEPJUHHUSA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019743 987309006 /nfs/dbraw/zinc/30/90/06/987309006.db2.gz JSEDGZWHFCRQGV-STQMWFEESA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034427 987336415 /nfs/dbraw/zinc/33/64/15/987336415.db2.gz NMIDSWHORKIUFK-OLZOCXBDSA-N 2 0 226.364 1.374 20 30 BDEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001246109553 987440531 /nfs/dbraw/zinc/44/05/31/987440531.db2.gz JVNSRAMXASNQQR-RVMXOQNASA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001246116111 987455380 /nfs/dbraw/zinc/45/53/80/987455380.db2.gz UYELFRHBXOROGX-YVECIDJPSA-N 2 0 221.348 1.514 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246475363 987831888 /nfs/dbraw/zinc/83/18/88/987831888.db2.gz GNUNBRDWNWHVCN-YFKTTZPYSA-N 2 0 207.321 1.538 20 30 BDEDRP C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)C[C@H]1C[NH3+] ZINC001246540569 987904977 /nfs/dbraw/zinc/90/49/77/987904977.db2.gz BNQYPCBYKIOUQV-RJZJGCCBSA-N 2 0 235.375 1.985 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565621 988021027 /nfs/dbraw/zinc/02/10/27/988021027.db2.gz ZCYCLBRYZZFRFV-STQMWFEESA-N 2 0 226.364 1.517 20 30 BDEDRP C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@H]1[NH3+] ZINC001246565340 988021660 /nfs/dbraw/zinc/02/16/60/988021660.db2.gz CCEOZCHTPGKZPK-CQLXCSJHSA-N 2 0 221.348 1.738 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246837926 988537959 /nfs/dbraw/zinc/53/79/59/988537959.db2.gz WZDDCYFFXDDOEU-YNEHKIRRSA-N 2 0 206.333 1.472 20 30 BDEDRP CC1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246846435 988558825 /nfs/dbraw/zinc/55/88/25/988558825.db2.gz HIIFGHLILFRIPU-FUNVUKJBSA-N 2 0 233.359 1.895 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246855145 988579970 /nfs/dbraw/zinc/57/99/70/988579970.db2.gz SXVROLCPRLUIPN-GRYCIOLGSA-N 2 0 207.321 1.492 20 30 BDEDRP CC[C@@H](CC#N)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935677 988769409 /nfs/dbraw/zinc/76/94/09/988769409.db2.gz WDLNUGRIFJUJHC-XQQFMLRXSA-N 2 0 221.348 1.610 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001521899921 989814903 /nfs/dbraw/zinc/81/49/03/989814903.db2.gz GVWKZXINEAGHOA-SRVKXCTJSA-N 2 0 239.363 1.008 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC001122067423 990216990 /nfs/dbraw/zinc/21/69/90/990216990.db2.gz FKYNBDUSAUNESW-LBPRGKRZSA-N 2 0 243.395 1.481 20 30 BDEDRP C#CC[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC001574666945 992889483 /nfs/dbraw/zinc/88/94/83/992889483.db2.gz KMXUXHGTZSCUQY-UHFFFAOYSA-N 2 0 220.360 1.864 20 30 BDEDRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000380315888 993325078 /nfs/dbraw/zinc/32/50/78/993325078.db2.gz IXIOYCVQNUJCDJ-QJPTWQEYSA-N 2 0 207.321 1.220 20 30 BDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691809 136209845 /nfs/dbraw/zinc/20/98/45/136209845.db2.gz XSBMWSGIHFLEIP-GFCCVEGCSA-N 2 0 246.358 1.755 20 30 BDEDRP C=CC[C@@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000234748170 136210140 /nfs/dbraw/zinc/21/01/40/136210140.db2.gz HJNWPQSTYBENQI-GHMZBOCLSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423019716 398161063 /nfs/dbraw/zinc/16/10/63/398161063.db2.gz WVTLAPWSNMQORG-YNEHKIRRSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423019715 398161265 /nfs/dbraw/zinc/16/12/65/398161265.db2.gz WVTLAPWSNMQORG-XQQFMLRXSA-N 2 0 226.364 1.291 20 30 BDEDRP CC(C)N(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602525693 349577753 /nfs/dbraw/zinc/57/77/53/349577753.db2.gz HLFTYFQGUFTSDR-LBPRGKRZSA-N 2 0 211.353 1.856 20 30 BDEDRP C[NH+]1CCC2(CC[N@H+](CCC#N)C2)CC1 ZINC000602877048 349807067 /nfs/dbraw/zinc/80/70/67/349807067.db2.gz KYZKJIHJMLGDGU-UHFFFAOYSA-N 2 0 207.321 1.318 20 30 BDEDRP CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000135166677 344322569 /nfs/dbraw/zinc/32/25/69/344322569.db2.gz DZTQSKGTFOZEKI-LBPRGKRZSA-N 2 0 247.342 1.971 20 30 BDEDRP C#CC[NH+]1CCC(Nc2cccc(C)n2)CC1 ZINC000077316773 344816475 /nfs/dbraw/zinc/81/64/75/344816475.db2.gz WXJLLJYWYCBTMR-UHFFFAOYSA-N 2 0 229.327 1.900 20 30 BDEDRP C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376648 344852400 /nfs/dbraw/zinc/85/24/00/344852400.db2.gz YQHNLSOJJRTIIG-FRRDWIJNSA-N 2 0 234.347 1.502 20 30 BDEDRP C=CCN(Cc1ccccc1)C[C@@](C)(O)C[NH2+]C ZINC000580654424 365848269 /nfs/dbraw/zinc/84/82/69/365848269.db2.gz UEAUMCRIRJRDRY-HNNXBMFYSA-N 2 0 248.370 1.645 20 30 BDEDRP C=C[C@@H](NCCCC[N@H+](C)C1CC1)C(=O)OC ZINC000591376668 347650529 /nfs/dbraw/zinc/65/05/29/347650529.db2.gz RXUBTSFSUCRIHU-GFCCVEGCSA-N 2 0 240.347 1.178 20 30 BDEDRP C=C[C@H](NCCCC[N@H+](C)C1CC1)C(=O)OC ZINC000591376669 347650611 /nfs/dbraw/zinc/65/06/11/347650611.db2.gz RXUBTSFSUCRIHU-LBPRGKRZSA-N 2 0 240.347 1.178 20 30 BDEDRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000591577150 347676587 /nfs/dbraw/zinc/67/65/87/347676587.db2.gz QOYIZVSVFISKJM-NEPJUHHUSA-N 2 0 209.337 1.658 20 30 BDEDRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955715 348148914 /nfs/dbraw/zinc/14/89/14/348148914.db2.gz SPSNBFJGSGEZFO-WFASDCNBSA-N 2 0 243.354 1.640 20 30 BDEDRP CC(C)(C#N)CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232532164 353112850 /nfs/dbraw/zinc/11/28/50/353112850.db2.gz HDDNHMZNJIPOOR-STQMWFEESA-N 2 0 235.375 1.858 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252733272 353302849 /nfs/dbraw/zinc/30/28/49/353302849.db2.gz YQINYOKNBUHTML-CHWSQXEVSA-N 2 0 226.364 1.509 20 30 BDEDRP Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000398984153 353417124 /nfs/dbraw/zinc/41/71/24/353417124.db2.gz HFHIGYQJJZCIMQ-GWCFXTLKSA-N 2 0 244.342 1.683 20 30 BDEDRP CN(CCC[N@H+](C)CCCC#N)CC[NH+](C)C ZINC000344041570 354107016 /nfs/dbraw/zinc/10/70/16/354107016.db2.gz WKAHSPGXCNGJKA-UHFFFAOYSA-N 2 0 240.395 1.105 20 30 BDEDRP N#C[C@H]1CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000054826385 181070310 /nfs/dbraw/zinc/07/03/10/181070310.db2.gz AENHRPHNKRQHEE-GHMZBOCLSA-N 2 0 204.277 1.165 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000129123865 181137588 /nfs/dbraw/zinc/13/75/88/181137588.db2.gz RFGHDILMTLQARQ-AWEZNQCLSA-N 2 0 229.327 1.790 20 30 BDEDRP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320387 192195875 /nfs/dbraw/zinc/19/58/75/192195875.db2.gz BNBJDBMKJPGFLM-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378562 192233323 /nfs/dbraw/zinc/23/33/23/192233323.db2.gz MDZVBPWPZXODQO-KBPBESRZSA-N 2 0 238.375 1.781 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259377 356647258 /nfs/dbraw/zinc/64/72/58/356647258.db2.gz RWRTZZPJFZFHCW-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000167749015 134153851 /nfs/dbraw/zinc/15/38/51/134153851.db2.gz CBQSRKSYXUCCGI-VHSXEESVSA-N 2 0 218.728 1.096 20 30 BDEDRP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000303962705 134235638 /nfs/dbraw/zinc/23/56/38/134235638.db2.gz DLSXYDWJXQBZAQ-YHWZYXNKSA-N 2 0 224.348 1.404 20 30 BDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000129115792 358583558 /nfs/dbraw/zinc/58/35/58/358583558.db2.gz MLXGKGVAULIJDT-OLZOCXBDSA-N 2 0 221.348 1.706 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550533 361443008 /nfs/dbraw/zinc/44/30/08/361443008.db2.gz OCGIDDPTWVDVIC-QWHCGFSZSA-N 2 0 236.359 1.405 20 30 BDEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601327587 364669640 /nfs/dbraw/zinc/66/96/40/364669640.db2.gz WYWFWZKCBLFKIW-IUODEOHRSA-N 2 0 243.354 1.627 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CCOCCC#N)CC1 ZINC000338913191 365441676 /nfs/dbraw/zinc/44/16/76/365441676.db2.gz OQROUXAJRZGMMW-UHFFFAOYSA-N 2 0 239.363 1.190 20 30 BDEDRP C[NH+](C)CCC1CC[NH+](CCCC#N)CC1 ZINC000056523804 368471724 /nfs/dbraw/zinc/47/17/24/368471724.db2.gz DOJQDYDRHXKCTD-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP C[C@H](NCc1ccc(C#N)o1)[C@@H]1CCC[NH2+]C1 ZINC000600769596 369563715 /nfs/dbraw/zinc/56/37/15/369563715.db2.gz PFALYPGDDSFPDE-WDEREUQCSA-N 2 0 233.315 1.629 20 30 BDEDRP C[C@]1(CNCc2ccc(C#N)o2)CCC[NH2+]C1 ZINC000600769794 369563958 /nfs/dbraw/zinc/56/39/58/369563958.db2.gz RHVAGQQTRLVTKJ-ZDUSSCGKSA-N 2 0 233.315 1.631 20 30 BDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000603434102 369966472 /nfs/dbraw/zinc/96/64/72/369966472.db2.gz QAXJEQPEDFDAJT-KGLIPLIRSA-N 2 0 243.354 1.816 20 30 BDEDRP C=C(C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380854 206007114 /nfs/dbraw/zinc/00/71/14/206007114.db2.gz PHGHVLYJCDEPFU-UHFFFAOYSA-N 2 0 239.407 1.520 20 30 BDEDRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424328770 206037258 /nfs/dbraw/zinc/03/72/58/206037258.db2.gz ONBZZLJUEVUHHJ-IGQOVBAYSA-N 2 0 235.375 1.999 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000424380945 206039835 /nfs/dbraw/zinc/03/98/35/206039835.db2.gz QHISMNIGZMXAIT-DGAVXFQQSA-N 2 0 238.375 1.827 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309973707 384753964 /nfs/dbraw/zinc/75/39/64/384753964.db2.gz REBCERXJECLDBG-STQMWFEESA-N 2 0 219.332 1.530 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090451308 384822257 /nfs/dbraw/zinc/82/22/57/384822257.db2.gz SBHZFQHGZNMYGU-HZSPNIEDSA-N 2 0 240.391 1.897 20 30 BDEDRP C#CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374846095 533099571 /nfs/dbraw/zinc/09/95/71/533099571.db2.gz NVIFXPKDJMGZJM-UHFFFAOYSA-N 2 0 243.354 1.863 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157909870 385304948 /nfs/dbraw/zinc/30/49/48/385304948.db2.gz GNWNTJWYAVOPLN-VXGBXAGGSA-N 2 0 207.321 1.507 20 30 BDEDRP CN(C)C(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000170905082 385454898 /nfs/dbraw/zinc/45/48/98/385454898.db2.gz NCMCXNANTBXANO-UHFFFAOYSA-N 2 0 234.347 1.125 20 30 BDEDRP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]2CCC[C@@H]21 ZINC000309597396 385725794 /nfs/dbraw/zinc/72/57/94/385725794.db2.gz WPJISQLDHCPSNC-AVGNSLFASA-N 2 0 221.348 1.753 20 30 BDEDRP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1C ZINC000414175995 386020602 /nfs/dbraw/zinc/02/06/02/386020602.db2.gz ZYDBSMFRAJMQTL-NWDGAFQWSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969886 386565806 /nfs/dbraw/zinc/56/58/06/386565806.db2.gz PZZHXXIWUWBSET-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357164 387206689 /nfs/dbraw/zinc/20/66/89/387206689.db2.gz HVWCBLIBTKDGQC-XQQFMLRXSA-N 2 0 221.348 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396797 387231627 /nfs/dbraw/zinc/23/16/27/387231627.db2.gz SOROLLRWFRYARA-VOAKCMCISA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000320268564 387253795 /nfs/dbraw/zinc/25/37/95/387253795.db2.gz KXQAJGACPFWXIG-QJPTWQEYSA-N 2 0 212.337 1.173 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000327980311 387601289 /nfs/dbraw/zinc/60/12/89/387601289.db2.gz IODDRLGUTOEXNC-UONOGXRCSA-N 2 0 237.391 1.014 20 30 BDEDRP C=CCN1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422863843 387746709 /nfs/dbraw/zinc/74/67/09/387746709.db2.gz SLIAXMVWFVFGHE-JSGCOSHPSA-N 2 0 237.391 1.354 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422993643 387803578 /nfs/dbraw/zinc/80/35/78/387803578.db2.gz SWZAMIYNLLVNNL-CHWSQXEVSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423017664 387842090 /nfs/dbraw/zinc/84/20/90/387842090.db2.gz PGFJHSJKJBVJLK-NEPJUHHUSA-N 2 0 214.353 1.278 20 30 BDEDRP C=C(C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423028759 387845681 /nfs/dbraw/zinc/84/56/81/387845681.db2.gz RCRXSMDCUOGDKR-GFCCVEGCSA-N 2 0 216.328 1.897 20 30 BDEDRP C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCC[NH2+]1 ZINC000422967470 387815630 /nfs/dbraw/zinc/81/56/30/387815630.db2.gz BYTCGBZDTQNYIP-NEPJUHHUSA-N 2 0 209.337 1.800 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423092975 387883064 /nfs/dbraw/zinc/88/30/64/387883064.db2.gz FCDDGXFHXAKNMX-NWDGAFQWSA-N 2 0 221.348 1.787 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423152072 387930787 /nfs/dbraw/zinc/93/07/87/387930787.db2.gz FJEZTMBCVYVSLC-OUAUKWLOSA-N 2 0 200.326 1.029 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000423146357 387923448 /nfs/dbraw/zinc/92/34/48/387923448.db2.gz AIDMQBYTPIOSSO-UTUOFQBUSA-N 2 0 212.337 1.437 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050245317 387938381 /nfs/dbraw/zinc/93/83/81/387938381.db2.gz HMILLFBAIWSRBR-CYBMUJFWSA-N 2 0 215.300 1.339 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199606 387985310 /nfs/dbraw/zinc/98/53/10/387985310.db2.gz CECAYARZZXSHFS-ZDUSSCGKSA-N 2 0 225.380 1.226 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000424385515 388001034 /nfs/dbraw/zinc/00/10/34/388001034.db2.gz WGTFAQKAXNWEOQ-BJDJZHNGSA-N 2 0 212.337 1.293 20 30 BDEDRP C#C[C@H](C)[NH+](C)CCCC[N@@H+](C)[C@@H](C)C#C ZINC000491699783 388312478 /nfs/dbraw/zinc/31/24/78/388312478.db2.gz JLKGFNWVLPHAIS-KBPBESRZSA-N 2 0 220.360 1.674 20 30 BDEDRP CCC[N@H+](C)C[C@H]1CCN(CCCC#N)C1 ZINC000081572062 388584667 /nfs/dbraw/zinc/58/46/67/388584667.db2.gz HINUMERKZUIHAT-CYBMUJFWSA-N 2 0 223.364 1.954 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422994375 388686989 /nfs/dbraw/zinc/68/69/89/388686989.db2.gz VHGONKQNALLWLF-GFCCVEGCSA-N 2 0 247.342 1.654 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cccc(C#N)c1 ZINC000423112003 388688024 /nfs/dbraw/zinc/68/80/24/388688024.db2.gz XBQOHZRUUKZQDB-NWDGAFQWSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000423197001 388688454 /nfs/dbraw/zinc/68/84/54/388688454.db2.gz XFKCKZLNECEORN-SECBINFHSA-N 2 0 221.279 1.697 20 30 BDEDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423225059 388690275 /nfs/dbraw/zinc/69/02/75/388690275.db2.gz LDHAFGHOHHSZRS-WDEREUQCSA-N 2 0 217.316 1.946 20 30 BDEDRP C=C(C)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000351731017 533484764 /nfs/dbraw/zinc/48/47/64/533484764.db2.gz RVVWHWDELRHLMD-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335502716 133868926 /nfs/dbraw/zinc/86/89/26/133868926.db2.gz WXWUOIJBALZBPC-WTIISPKJSA-N 2 0 221.348 1.928 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000168609725 134231546 /nfs/dbraw/zinc/23/15/46/134231546.db2.gz GTRFBYALHAPESZ-NWDGAFQWSA-N 2 0 212.337 1.296 20 30 BDEDRP CC#CC[NH+](C)CCCC[N@@H+](C)CC#CC ZINC000121674103 135225301 /nfs/dbraw/zinc/22/53/01/135225301.db2.gz OGMFZUHGQJUVED-UHFFFAOYSA-N 2 0 220.360 1.677 20 30 BDEDRP C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000261709258 135247376 /nfs/dbraw/zinc/24/73/76/135247376.db2.gz DIQWJSWIBGXHLT-QWRGUYRKSA-N 2 0 238.379 1.316 20 30 BDEDRP C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCCC[C@H]1C ZINC000261709254 135247467 /nfs/dbraw/zinc/24/74/67/135247467.db2.gz DIQWJSWIBGXHLT-MNOVXSKESA-N 2 0 238.379 1.316 20 30 BDEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCC(C)CC1 ZINC000262683229 135312710 /nfs/dbraw/zinc/31/27/10/135312710.db2.gz XGTIUMLJOQOLLX-VXGBXAGGSA-N 2 0 238.379 1.044 20 30 BDEDRP CN(C)C(=[NH+]CC[N@@H+]1CCCC1(C)C)N(C)C ZINC000263078168 135331476 /nfs/dbraw/zinc/33/14/76/135331476.db2.gz HLJQAIHABPYGEK-UHFFFAOYSA-N 2 0 240.395 1.340 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000649621692 398005575 /nfs/dbraw/zinc/00/55/75/398005575.db2.gz JUCFVSUAVLMKML-UTUOFQBUSA-N 2 0 210.321 1.014 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000643479644 398106763 /nfs/dbraw/zinc/10/67/63/398106763.db2.gz XWSZGNWPPGBKAN-NEPJUHHUSA-N 2 0 212.337 1.167 20 30 BDEDRP C=CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253741 409551664 /nfs/dbraw/zinc/55/16/64/409551664.db2.gz CBIXQJGPDNQFSU-ZDUSSCGKSA-N 2 0 236.359 1.405 20 30 BDEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347929 411208993 /nfs/dbraw/zinc/20/89/93/411208993.db2.gz PISYYQFUZWHGRA-MELADBBJSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400909738 411165616 /nfs/dbraw/zinc/16/56/16/411165616.db2.gz AZAPVUYZOYPDTC-RWMBFGLXSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662299560 412085627 /nfs/dbraw/zinc/08/56/27/412085627.db2.gz ROMXOZKCXFVQHW-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000662299653 412086177 /nfs/dbraw/zinc/08/61/77/412086177.db2.gz TYTRZGPBBLHYFL-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662298975 412087390 /nfs/dbraw/zinc/08/73/90/412087390.db2.gz ICSJWXPKDJJWAN-AWEZNQCLSA-N 2 0 237.391 1.180 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665263378 412205727 /nfs/dbraw/zinc/20/57/27/412205727.db2.gz LMASVDBTUHDFMT-VXGBXAGGSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277659 412220971 /nfs/dbraw/zinc/22/09/71/412220971.db2.gz HOMMQDZJIKVOPO-OKZRHMCRSA-N 2 0 208.349 1.929 20 30 BDEDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000310135278 177285163 /nfs/dbraw/zinc/28/51/63/177285163.db2.gz IUNGGIKFAAEXFL-FZMZJTMJSA-N 2 0 229.327 1.646 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000424377336 229159897 /nfs/dbraw/zinc/15/98/97/229159897.db2.gz RBRFZLRVUWGSOD-UMSGYPCISA-N 2 0 221.348 1.786 20 30 BDEDRP Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)cn1 ZINC000399488207 267301470 /nfs/dbraw/zinc/30/14/70/267301470.db2.gz HADLAGZJBBTQFS-LBPRGKRZSA-N 2 0 242.326 1.332 20 30 BDEDRP CSC1(C[NH2+]CCC#N)CC[NH+](C)CC1 ZINC000563011689 323079849 /nfs/dbraw/zinc/07/98/49/323079849.db2.gz PQFJTOOWZDCOAI-UHFFFAOYSA-N 2 0 227.377 1.317 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000530209421 323209816 /nfs/dbraw/zinc/20/98/16/323209816.db2.gz HMNUGWRQDVBVIO-YNEHKIRRSA-N 2 0 240.391 1.931 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565223777 325879951 /nfs/dbraw/zinc/87/99/51/325879951.db2.gz AMDFXMIWZOFAMU-KKOKHZNYSA-N 2 0 210.321 1.189 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000341889344 534394629 /nfs/dbraw/zinc/39/46/29/534394629.db2.gz RCKDRWBENMQIEX-ZDUSSCGKSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCOCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000338911682 534878464 /nfs/dbraw/zinc/87/84/64/534878464.db2.gz IDAFQAVYWCHTHJ-UHFFFAOYSA-N 2 0 226.364 1.463 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC1(C)C ZINC000261965202 535598050 /nfs/dbraw/zinc/59/80/50/535598050.db2.gz AXPYALNMDPMAFM-QWRGUYRKSA-N 2 0 238.379 1.174 20 30 BDEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC)cc1 ZINC000264096287 535603758 /nfs/dbraw/zinc/60/37/58/535603758.db2.gz LYYNJFGJYGSVGL-UHFFFAOYSA-N 2 0 248.374 1.563 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104191471 583162604 /nfs/dbraw/zinc/16/26/04/583162604.db2.gz SPPBTJHGDJQOPA-LBPRGKRZSA-N 2 0 242.411 1.667 20 30 BDEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCC(C)CC2)N1 ZINC000848982639 582816112 /nfs/dbraw/zinc/81/61/12/582816112.db2.gz PJHUTTSQKBQDLN-LBPRGKRZSA-N 2 0 238.379 1.046 20 30 BDEDRP C=CC[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000892395963 582875511 /nfs/dbraw/zinc/87/55/11/582875511.db2.gz AAGPWSOTJKBGHR-UHFFFAOYSA-N 2 0 247.342 1.058 20 30 BDEDRP C[C@@H](CC[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000895293301 583639472 /nfs/dbraw/zinc/63/94/72/583639472.db2.gz YUDBHKFWYYMGKE-HIFPTAJRSA-N 2 0 223.364 1.999 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000104191468 583914858 /nfs/dbraw/zinc/91/48/58/583914858.db2.gz SPPBTJHGDJQOPA-GFCCVEGCSA-N 2 0 242.411 1.667 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386301 584578126 /nfs/dbraw/zinc/57/81/26/584578126.db2.gz FKYZVXUMPKGUDH-CHWSQXEVSA-N 2 0 240.391 1.681 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000902485756 584625159 /nfs/dbraw/zinc/62/51/59/584625159.db2.gz NTVOPPRQTAZTJT-RUXNMCCTSA-N 2 0 221.348 1.786 20 30 BDEDRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(C#N)c1 ZINC000902488416 584626670 /nfs/dbraw/zinc/62/66/70/584626670.db2.gz YBZWSAQYRYMEDE-JKOKRWQUSA-N 2 0 229.327 1.946 20 30 BDEDRP C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903425013 584765366 /nfs/dbraw/zinc/76/53/66/584765366.db2.gz ORAMIFPIRUQXED-RYSNWHEDSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903477348 584778270 /nfs/dbraw/zinc/77/82/70/584778270.db2.gz ZIMXILZMNUFMTD-BLYZHGLHSA-N 2 0 235.375 1.843 20 30 BDEDRP C#CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815143869 586669849 /nfs/dbraw/zinc/66/98/49/586669849.db2.gz OSWDGXXYWVYRDR-CQSZACIVSA-N 2 0 220.360 1.818 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000848982675 588422909 /nfs/dbraw/zinc/42/29/09/588422909.db2.gz TZXGKHCPFBQYKY-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP C[NH+]=C(NC[C@@H](CC(C)C)[NH+](C)C)NC1CC1 ZINC000848983949 588424988 /nfs/dbraw/zinc/42/49/88/588424988.db2.gz YCDFFFFABNXYQC-GFCCVEGCSA-N 2 0 240.395 1.290 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996045 588428987 /nfs/dbraw/zinc/42/89/87/588428987.db2.gz AMYPKYQLWAGSHJ-NSHDSACASA-N 2 0 224.352 1.017 20 30 BDEDRP C[NH+]=C(NCC[N@@H+]1CCCC1(C)C)NC1CC1 ZINC000849039147 588446909 /nfs/dbraw/zinc/44/69/09/588446909.db2.gz KHZGBOFYHIQGOJ-UHFFFAOYSA-N 2 0 238.379 1.188 20 30 BDEDRP C#CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850164080 588522678 /nfs/dbraw/zinc/52/26/78/588522678.db2.gz VFQXXRULKZZPJG-UHFFFAOYSA-N 2 0 240.310 1.770 20 30 BDEDRP C#CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852041379 588657162 /nfs/dbraw/zinc/65/71/62/588657162.db2.gz TZMOJCIEYDFLOW-PBWFPOADSA-N 2 0 236.359 1.193 20 30 BDEDRP C#CCOCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852107346 588664025 /nfs/dbraw/zinc/66/40/25/588664025.db2.gz KXNIYVSRYQRIDX-AWEZNQCLSA-N 2 0 236.359 1.054 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203055492 589212945 /nfs/dbraw/zinc/21/29/45/589212945.db2.gz DYJHMRIXYBSTID-NSHDSACASA-N 2 0 238.379 1.175 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CC2 ZINC000873259049 590012723 /nfs/dbraw/zinc/01/27/23/590012723.db2.gz YDHDIUHVXFPCIC-UXIGCNINSA-N 2 0 241.338 1.872 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CC2 ZINC000873259050 590013098 /nfs/dbraw/zinc/01/30/98/590013098.db2.gz YDHDIUHVXFPCIC-WHOFXGATSA-N 2 0 241.338 1.872 20 30 BDEDRP C#CCCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000876818861 590245757 /nfs/dbraw/zinc/24/57/57/590245757.db2.gz ZKVJAQXZLFKKPM-KBPBESRZSA-N 2 0 220.360 1.721 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000876854501 590250187 /nfs/dbraw/zinc/25/01/87/590250187.db2.gz HYDRJEVUKQNFPU-UWVGGRQHSA-N 2 0 247.770 1.090 20 30 BDEDRP C=CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593302 590824518 /nfs/dbraw/zinc/82/45/18/590824518.db2.gz XIBFYVVNPBQAHW-UHFFFAOYSA-N 2 0 237.391 1.274 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000883390562 591642703 /nfs/dbraw/zinc/64/27/03/591642703.db2.gz PDTPMPGBNYMHOA-OCCSQVGLSA-N 2 0 240.391 1.633 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000104181478 592604076 /nfs/dbraw/zinc/60/40/76/592604076.db2.gz DNFVWYUPJDHEME-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000253188624 634525488 /nfs/dbraw/zinc/52/54/88/634525488.db2.gz JWQDYIBLNSPCOA-SWLSCSKDSA-N 2 0 243.354 1.975 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178564100 635504383 /nfs/dbraw/zinc/50/43/83/635504383.db2.gz LGRGLMLKICFNTD-NSHDSACASA-N 2 0 247.346 1.150 20 30 BDEDRP CCNC(NCC[NH+]1CCC(C)CC1)=[NH+]CC ZINC000066243151 632860229 /nfs/dbraw/zinc/86/02/29/632860229.db2.gz YQUIJAQFZVUEJN-UHFFFAOYSA-N 2 0 240.395 1.293 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925682152 634284539 /nfs/dbraw/zinc/28/45/39/634284539.db2.gz UEGUPARBRPOZIV-WUHRBBMRSA-N 2 0 233.359 1.928 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925702377 634376866 /nfs/dbraw/zinc/37/68/66/634376866.db2.gz CARVPJZUXMJDGX-QCNOEVLYSA-N 2 0 219.332 1.538 20 30 BDEDRP CC[NH+](CC)CCCNC(=[NH2+])N(C)C1CC1 ZINC000305818864 636333006 /nfs/dbraw/zinc/33/30/06/636333006.db2.gz NQGVURLMRAVTNZ-UHFFFAOYSA-N 2 0 226.368 1.127 20 30 BDEDRP C=C(CC)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437008 640203445 /nfs/dbraw/zinc/20/34/45/640203445.db2.gz CQNVXTDCKYSLRH-QWHCGFSZSA-N 2 0 208.349 1.836 20 30 BDEDRP C=CCSCC[NH2+]C1CC[NH2+]CC1 ZINC000231931056 641216733 /nfs/dbraw/zinc/21/67/33/641216733.db2.gz FTLNEJMRVYINFH-UHFFFAOYSA-N 2 0 200.351 1.247 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181098156 642837615 /nfs/dbraw/zinc/83/76/15/642837615.db2.gz UZKLIQCQLBKXIM-NEPJUHHUSA-N 2 0 226.389 1.425 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000923280820 644313792 /nfs/dbraw/zinc/31/37/92/644313792.db2.gz JOFLOJAXOLLJKV-FRRDWIJNSA-N 2 0 226.364 1.515 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923288468 644323008 /nfs/dbraw/zinc/32/30/08/644323008.db2.gz KAKNRVCMJVJVHI-AVGNSLFASA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCCCCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316351 644344829 /nfs/dbraw/zinc/34/48/29/644344829.db2.gz OTFLKFPOBMZNJG-AVGNSLFASA-N 2 0 226.364 1.515 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000923327126 644352919 /nfs/dbraw/zinc/35/29/19/644352919.db2.gz NQFZNHARXHTAFZ-CQSZACIVSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336999 644357088 /nfs/dbraw/zinc/35/70/88/644357088.db2.gz WGPBVRCGXPMAAM-UONOGXRCSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923376546 644391308 /nfs/dbraw/zinc/39/13/08/644391308.db2.gz YRFCJQCAPANVOE-UPJWGTAASA-N 2 0 226.364 1.230 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380311 644393861 /nfs/dbraw/zinc/39/38/61/644393861.db2.gz GMIBQDKNCFDBEY-LBPRGKRZSA-N 2 0 224.348 1.141 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923380310 644394770 /nfs/dbraw/zinc/39/47/70/644394770.db2.gz GMIBQDKNCFDBEY-GFCCVEGCSA-N 2 0 224.348 1.141 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000923391379 644395465 /nfs/dbraw/zinc/39/54/65/644395465.db2.gz DXYBERNFLHZVRR-SRVKXCTJSA-N 2 0 212.337 1.125 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494479 644470904 /nfs/dbraw/zinc/47/09/04/644470904.db2.gz XWDBSRJORVDEJR-XQQFMLRXSA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923497986 644472575 /nfs/dbraw/zinc/47/25/75/644472575.db2.gz HEQNQZLPFSAJKB-DOMZBBRYSA-N 2 0 243.354 1.975 20 30 BDEDRP CNC(NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000303253146 644811554 /nfs/dbraw/zinc/81/15/54/644811554.db2.gz CIQKVCMBOQQEDV-TXEJJXNPSA-N 2 0 240.395 1.149 20 30 BDEDRP CNC(NCCCC[N@@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000303263280 644813180 /nfs/dbraw/zinc/81/31/80/644813180.db2.gz QVEAAENOXSAYET-GFCCVEGCSA-N 2 0 240.395 1.293 20 30 BDEDRP CN(C)C(=[NH+]CC(C)(C)C[NH+](C)C)N(C)C ZINC000303709619 644837404 /nfs/dbraw/zinc/83/74/04/644837404.db2.gz NWGMRYXWJQZPDL-UHFFFAOYSA-N 2 0 228.384 1.053 20 30 BDEDRP CCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303719258 644840041 /nfs/dbraw/zinc/84/00/41/644840041.db2.gz VTOXYRBYGXBGTF-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCCCC1 ZINC000303775738 644844825 /nfs/dbraw/zinc/84/48/25/644844825.db2.gz GZQCKFYASLHIMH-UHFFFAOYSA-N 2 0 238.379 1.273 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000303912003 644857015 /nfs/dbraw/zinc/85/70/15/644857015.db2.gz ZZNCUHNXKPDFID-NSHDSACASA-N 2 0 226.368 1.175 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC1 ZINC000304736376 644927976 /nfs/dbraw/zinc/92/79/76/644927976.db2.gz ABHHXZMHHPKBDP-GFCCVEGCSA-N 2 0 238.379 1.175 20 30 BDEDRP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252959227 644928021 /nfs/dbraw/zinc/92/80/21/644928021.db2.gz UCIWJQDOYKMUTE-AGIUHOORSA-N 2 0 206.333 1.615 20 30 BDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCCC(C)C ZINC000304741706 644928507 /nfs/dbraw/zinc/92/85/07/644928507.db2.gz CFTMQUZSKUAUJO-UHFFFAOYSA-N 2 0 242.411 1.669 20 30 BDEDRP CC(C)(C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304764799 644932959 /nfs/dbraw/zinc/93/29/59/644932959.db2.gz YKHJZWIOWZPOPR-UHFFFAOYSA-N 2 0 214.357 1.077 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617584 645318444 /nfs/dbraw/zinc/31/84/44/645318444.db2.gz YCWYAZLWSFCJLY-UKIXVXPJSA-N 2 0 233.359 1.608 20 30 BDEDRP C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926686191 645355768 /nfs/dbraw/zinc/35/57/68/645355768.db2.gz TULXHNMNNLHTCM-AGUYFDCRSA-N 2 0 238.375 1.794 20 30 BDEDRP CCC[NH+]1CCC(N(C)C[C@H](O)CC#N)CC1 ZINC000929779132 646305334 /nfs/dbraw/zinc/30/53/34/646305334.db2.gz WANZMONWHHBJAA-CYBMUJFWSA-N 2 0 239.363 1.067 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925628636 646374862 /nfs/dbraw/zinc/37/48/62/646374862.db2.gz FKXFBCBCFYPNQQ-TUAOUCFPSA-N 2 0 224.348 1.031 20 30 BDEDRP CC1(C)C[C@@H]([NH2+]CCCC#N)C[C@@H]([NH3+])C1 ZINC000925637269 646381065 /nfs/dbraw/zinc/38/10/65/646381065.db2.gz JCNRXNCZWYTGIG-MNOVXSKESA-N 2 0 209.337 1.786 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925770728 646470384 /nfs/dbraw/zinc/47/03/84/646470384.db2.gz KZQSUFPKDKKBIX-NWDGAFQWSA-N 2 0 212.337 1.045 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925770204 646471416 /nfs/dbraw/zinc/47/14/16/646471416.db2.gz HTQYJNOUFPDOSK-OUAUKWLOSA-N 2 0 200.326 1.029 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926132537 646582929 /nfs/dbraw/zinc/58/29/29/646582929.db2.gz MBWGWTOXIWCRAN-OLZOCXBDSA-N 2 0 221.348 1.897 20 30 BDEDRP C#C[C@H](CC)NCc1ncc(CN(C)C)s1 ZINC000390785291 711135140 /nfs/dbraw/zinc/13/51/40/711135140.db2.gz OHQZKMCZNVOPMO-SNVBAGLBSA-N 2 0 237.372 1.706 20 30 BDEDRP C[NH+](C)C1(C)CCC([NH2+]CCC#N)CC1 ZINC000715510450 712524623 /nfs/dbraw/zinc/52/46/23/712524623.db2.gz PSZGSQXDBHPOJW-UHFFFAOYSA-N 2 0 209.337 1.753 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001209267340 957374955 /nfs/dbraw/zinc/37/49/55/957374955.db2.gz GCBYCLNWPFFPOG-ZIAGYGMSSA-N 2 0 220.360 1.673 20 30 BDEDRP CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506560 968345431 /nfs/dbraw/zinc/34/54/31/968345431.db2.gz GHYSSINAOOWJPN-KBPBESRZSA-N 2 0 242.407 1.988 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252582941 968835754 /nfs/dbraw/zinc/83/57/54/968835754.db2.gz ZPBUPPBIHAVMOW-FQUUOJAGSA-N 2 0 238.375 1.528 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252615291 968871752 /nfs/dbraw/zinc/87/17/52/968871752.db2.gz YDVCNZCKYNOORY-STQMWFEESA-N 2 0 226.364 1.245 20 30 BDEDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(C)(C)S ZINC001253407168 969163497 /nfs/dbraw/zinc/16/34/97/969163497.db2.gz GBUAJQCFGXJTED-VIFPVBQESA-N 2 0 234.409 1.033 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001252575127 983829295 /nfs/dbraw/zinc/82/92/95/983829295.db2.gz VKAMSEDLWCJPJX-ZIAGYGMSSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252585930 983835849 /nfs/dbraw/zinc/83/58/49/983835849.db2.gz VZJRXQQLAKFKGV-MCIONIFRSA-N 2 0 240.391 1.632 20 30 BDEDRP C[C@H](CCC#N)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575942006 984137233 /nfs/dbraw/zinc/13/72/33/984137233.db2.gz ZWBMSYFBFWTIMB-UTUOFQBUSA-N 2 0 207.321 1.220 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccccc1C[NH3+] ZINC001218206674 971627416 /nfs/dbraw/zinc/62/74/16/971627416.db2.gz DYQXJVXKMRBEAG-ZDUSSCGKSA-N 2 0 218.300 1.442 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246019020 972115814 /nfs/dbraw/zinc/11/58/14/972115814.db2.gz HEOVJTRNAXEQPI-CHWSQXEVSA-N 2 0 244.354 1.466 20 30 BDEDRP C#CCCC[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209267336 957377141 /nfs/dbraw/zinc/37/71/41/957377141.db2.gz GCBYCLNWPFFPOG-KBPBESRZSA-N 2 0 220.360 1.673 20 30 BDEDRP SCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961668 962887346 /nfs/dbraw/zinc/88/73/46/962887346.db2.gz MQWBORMPPKCMFN-YHWZYXNKSA-N 2 0 240.416 1.911 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093857 967340857 /nfs/dbraw/zinc/34/08/57/967340857.db2.gz GSTCZFWWSXZZAC-CQSZACIVSA-N 2 0 229.327 1.871 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252575038 968825294 /nfs/dbraw/zinc/82/52/94/968825294.db2.gz URTDZNNYNVYDSB-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252614905 968871873 /nfs/dbraw/zinc/87/18/73/968871873.db2.gz RJVKYZZFVIWSIN-CQSZACIVSA-N 2 0 240.391 1.776 20 30 BDEDRP CC[N@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001208599656 969152456 /nfs/dbraw/zinc/15/24/56/969152456.db2.gz JWWDHKQVFVUFAS-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(S)CC2)C1 ZINC001208612232 969168074 /nfs/dbraw/zinc/16/80/74/969168074.db2.gz LDZOGGKMJHCMJU-LLVKDONJSA-N 2 0 228.405 1.722 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001253598083 969290898 /nfs/dbraw/zinc/29/08/98/969290898.db2.gz NLNBDMISUCJYBX-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253603982 969301184 /nfs/dbraw/zinc/30/11/84/969301184.db2.gz FBZQEEKYOWPRLK-LBPRGKRZSA-N 2 0 240.391 1.774 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001253607261 969305330 /nfs/dbraw/zinc/30/53/30/969305330.db2.gz TXQKLGHXWYDWKK-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP C#CCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209267212 969418271 /nfs/dbraw/zinc/41/82/71/969418271.db2.gz MNKHHBYIIXGZFH-CABCVRRESA-N 2 0 249.402 1.110 20 30 BDEDRP CC[NH+]1CCC([NH2+]CC(C)(C)S)CC1 ZINC001169229588 969502771 /nfs/dbraw/zinc/50/27/71/969502771.db2.gz CRTZPYBXKXXPRN-UHFFFAOYSA-N 2 0 216.394 1.769 20 30 BDEDRP C#C[C@](C)(CC)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505819 969676510 /nfs/dbraw/zinc/67/65/10/969676510.db2.gz JPRQNYAJUPPOIG-CHWSQXEVSA-N 2 0 208.349 1.862 20 30 BDEDRP CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C#N)C1 ZINC001254636384 969753967 /nfs/dbraw/zinc/75/39/67/969753967.db2.gz KSNJZDVHMURSPB-VXGBXAGGSA-N 2 0 209.337 1.739 20 30 BDEDRP C[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641641 969756287 /nfs/dbraw/zinc/75/62/87/969756287.db2.gz CMAQMVOUIXWGTQ-YWPUVAFDSA-N 2 0 221.348 1.880 20 30 BDEDRP C#Cc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1 ZINC001222542822 972560433 /nfs/dbraw/zinc/56/04/33/972560433.db2.gz KKHSUIKFWSSLHU-UHFFFAOYSA-N 2 0 246.329 1.931 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001327416177 972572561 /nfs/dbraw/zinc/57/25/61/972572561.db2.gz PNEWPCNZYKDSBO-MELADBBJSA-N 2 0 238.375 1.651 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246544336 972615661 /nfs/dbraw/zinc/61/56/61/972615661.db2.gz XZPICDCYTSMRSR-NWDGAFQWSA-N 2 0 209.337 1.882 20 30 BDEDRP N#CC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246862774 973181690 /nfs/dbraw/zinc/18/16/90/973181690.db2.gz RIIGEZHUAOYVIK-POOIEITISA-N 2 0 219.332 1.492 20 30 BDEDRP N#CCCCC[C@@H](N)c1nc([C@H]2CCC[NH2+]2)no1 ZINC001329868453 973981045 /nfs/dbraw/zinc/98/10/45/973981045.db2.gz UMCKGMZPBFZFQI-NXEZZACHSA-N 2 0 249.318 1.578 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172497900 974848137 /nfs/dbraw/zinc/84/81/37/974848137.db2.gz HIUKXLXPAMOIDI-MGPQQGTHSA-N 2 0 235.375 1.952 20 30 BDEDRP CC1(C#N)CCC([NH2+]CCSCC[NH3+])CC1 ZINC001173590325 975443170 /nfs/dbraw/zinc/44/31/70/975443170.db2.gz GTENURRIRFSQST-UHFFFAOYSA-N 2 0 241.404 1.740 20 30 BDEDRP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2)C1 ZINC001337725913 978473559 /nfs/dbraw/zinc/47/35/59/978473559.db2.gz UCWRJTYTOPOXKG-ZDUSSCGKSA-N 2 0 215.300 1.013 20 30 BDEDRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC001277943199 979038584 /nfs/dbraw/zinc/03/85/84/979038584.db2.gz PARBBZVQHAWCPX-YOGCLGLASA-N 2 0 207.321 1.505 20 30 BDEDRP C=CCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993463 979284975 /nfs/dbraw/zinc/28/49/75/979284975.db2.gz PSWBOLVFXZNGBX-PBWFPOADSA-N 2 0 238.375 1.638 20 30 BDEDRP C=CCO[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC001342228568 979720251 /nfs/dbraw/zinc/72/02/51/979720251.db2.gz KTRQEFYGLDHPEV-KBPBESRZSA-N 2 0 238.375 1.748 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252570713 983825289 /nfs/dbraw/zinc/82/52/89/983825289.db2.gz AWMAHZRTNGRCEQ-STQMWFEESA-N 2 0 226.364 1.245 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001252574932 983830079 /nfs/dbraw/zinc/83/00/79/983830079.db2.gz SIWYRRDMYNTYOG-OAHLLOKOSA-N 2 0 248.370 1.775 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC001580055893 984379436 /nfs/dbraw/zinc/37/94/36/984379436.db2.gz ACPMUNPTZPDWRG-FIQHERPVSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CCC[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258720208 986050112 /nfs/dbraw/zinc/05/01/12/986050112.db2.gz UMDPRDWNTVIQNE-CYBMUJFWSA-N 2 0 225.380 1.308 20 30 BDEDRP C=C[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001253586451 986162667 /nfs/dbraw/zinc/16/26/67/986162667.db2.gz MLCDWUAWJOBWPA-ZDUSSCGKSA-N 2 0 238.375 1.341 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001253598390 986226038 /nfs/dbraw/zinc/22/60/38/986226038.db2.gz SHXPICQIRUMZTA-HZSPNIEDSA-N 2 0 240.391 1.491 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC3(C[NH2+]C3)C2)C1 ZINC001580055966 986482616 /nfs/dbraw/zinc/48/26/16/986482616.db2.gz CRDZIVQNINAAJQ-VHSXEESVSA-N 2 0 205.305 1.020 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246001587 987286188 /nfs/dbraw/zinc/28/61/88/987286188.db2.gz SOVSIHSJQVOIEU-UPJWGTAASA-N 2 0 224.348 1.317 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246001590 987288420 /nfs/dbraw/zinc/28/84/20/987288420.db2.gz SOVSIHSJQVOIEU-XQQFMLRXSA-N 2 0 224.348 1.317 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246017902 987301906 /nfs/dbraw/zinc/30/19/06/987301906.db2.gz CQMDQMVGABJSCJ-NWDGAFQWSA-N 2 0 212.337 1.127 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246018136 987303640 /nfs/dbraw/zinc/30/36/40/987303640.db2.gz AGLLFEJLHUABTK-OLZOCXBDSA-N 2 0 226.364 1.374 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035140 987338734 /nfs/dbraw/zinc/33/87/34/987338734.db2.gz ZJMWZXCAXUZAPH-STQMWFEESA-N 2 0 224.348 1.141 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060173 987349952 /nfs/dbraw/zinc/34/99/52/987349952.db2.gz NFJNLAFYYOOPIE-HZSPNIEDSA-N 2 0 238.375 1.387 20 30 BDEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001246109560 987442161 /nfs/dbraw/zinc/44/21/61/987442161.db2.gz JVNSRAMXASNQQR-UMSGYPCISA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001246116109 987452841 /nfs/dbraw/zinc/45/28/41/987452841.db2.gz UYELFRHBXOROGX-LPWJVIDDSA-N 2 0 221.348 1.514 20 30 BDEDRP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[NH2+]1 ZINC001246195719 987591210 /nfs/dbraw/zinc/59/12/10/987591210.db2.gz BYGZCWJCUWKAHI-MFKMUULPSA-N 2 0 242.326 1.404 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001246203884 987598489 /nfs/dbraw/zinc/59/84/89/987598489.db2.gz DQQZWCNQHVDYLN-POOIEITISA-N 2 0 221.348 1.928 20 30 BDEDRP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246205295 987602971 /nfs/dbraw/zinc/60/29/71/987602971.db2.gz LIEKZXQVSVGKLW-WUHRBBMRSA-N 2 0 221.348 1.799 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246205290 987603592 /nfs/dbraw/zinc/60/35/92/987603592.db2.gz LIEKZXQVSVGKLW-FDYHWXHSSA-N 2 0 221.348 1.799 20 30 BDEDRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246311455 987712711 /nfs/dbraw/zinc/71/27/11/987712711.db2.gz CUZIPSQWCSJIPS-RISCZKNCSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCNC1 ZINC001246357204 987764804 /nfs/dbraw/zinc/76/48/04/987764804.db2.gz KRHQPTKKMILUAC-IUODEOHRSA-N 2 0 243.354 1.831 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246364937 987771351 /nfs/dbraw/zinc/77/13/51/987771351.db2.gz VKACSUJLFXVTHB-MJBXVCDLSA-N 2 0 237.391 1.367 20 30 BDEDRP C=C1C[C@@H]2CC([NH2+]CCNCC[NH3+])C[C@H](C1)C2 ZINC001246403252 987787835 /nfs/dbraw/zinc/78/78/35/987787835.db2.gz DLLWNZHINRDIAW-PBWFPOADSA-N 2 0 237.391 1.259 20 30 BDEDRP C=CCOC1CCC([N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246527033 987882266 /nfs/dbraw/zinc/88/22/66/987882266.db2.gz DCAQMHJBZMDQES-RUXDESIVSA-N 2 0 238.375 1.923 20 30 BDEDRP C[C@]1([NH3+])CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001246532812 987889422 /nfs/dbraw/zinc/88/94/22/987889422.db2.gz YJDXQIBLTNZZOR-BPCQOVAHSA-N 2 0 221.348 1.882 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540373 987902797 /nfs/dbraw/zinc/90/27/97/987902797.db2.gz DNLPUGCYCHMQNG-STQMWFEESA-N 2 0 239.363 1.244 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246546683 987928330 /nfs/dbraw/zinc/92/83/30/987928330.db2.gz NGDONQYGNGXBNI-WOPDTQHZSA-N 2 0 207.321 1.492 20 30 BDEDRP N#CCC1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856402 988580672 /nfs/dbraw/zinc/58/06/72/988580672.db2.gz XAKOJOUFZONXRG-GNRIBBGQSA-N 2 0 233.359 1.882 20 30 BDEDRP C=CCC[C@@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001258732554 991674860 /nfs/dbraw/zinc/67/48/60/991674860.db2.gz NDKQQQZEHGPIPE-CQSZACIVSA-N 2 0 239.407 1.520 20 30 BDEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001574835724 992925173 /nfs/dbraw/zinc/92/51/73/992925173.db2.gz FGMLRVIJUVGPLU-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH2+]C ZINC001574901212 992942932 /nfs/dbraw/zinc/94/29/32/992942932.db2.gz BYABTVDVPUXVIQ-UONOGXRCSA-N 2 0 240.391 1.778 20 30 BDEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@@H]([NH3+])C1 ZINC001575934653 993134050 /nfs/dbraw/zinc/13/40/50/993134050.db2.gz ROBNUUREINFORT-UTUOFQBUSA-N 2 0 237.347 1.165 20 30 BDEDRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390475625 993792003 /nfs/dbraw/zinc/79/20/03/993792003.db2.gz KOACOTRDBIQDTC-NWDGAFQWSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423019710 398161142 /nfs/dbraw/zinc/16/11/42/398161142.db2.gz WVTLAPWSNMQORG-AVGNSLFASA-N 2 0 226.364 1.291 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000576283627 365550875 /nfs/dbraw/zinc/55/08/75/365550875.db2.gz WNGFHTQYFZGKJT-TZMCWYRMSA-N 2 0 229.327 1.775 20 30 BDEDRP C[C@@H](CCC#N)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000602474484 349562393 /nfs/dbraw/zinc/56/23/93/349562393.db2.gz PQDZLFDLRLFHNV-RWMBFGLXSA-N 2 0 221.348 1.610 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602558464 349598451 /nfs/dbraw/zinc/59/84/51/349598451.db2.gz AUDHLPUVKIJTQP-UPJWGTAASA-N 2 0 223.364 1.999 20 30 BDEDRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C#N ZINC000276627293 398314159 /nfs/dbraw/zinc/31/41/59/398314159.db2.gz NBUMEZZBDLTGII-UHFFFAOYSA-N 2 0 244.342 1.248 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000158009245 398340807 /nfs/dbraw/zinc/34/08/07/398340807.db2.gz GHRPZACNHXDBBU-STQMWFEESA-N 2 0 221.348 1.897 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309955153 343108719 /nfs/dbraw/zinc/10/87/19/343108719.db2.gz HWLCRCVJULLKIU-YNEHKIRRSA-N 2 0 221.348 1.610 20 30 BDEDRP CCN(CC[NH3+])Cc1ccc(C#N)c(OC)c1 ZINC000306023407 343944413 /nfs/dbraw/zinc/94/44/13/343944413.db2.gz QJJABXKPQVRWDJ-UHFFFAOYSA-N 2 0 233.315 1.347 20 30 BDEDRP CC1(C#N)CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000600710040 344361116 /nfs/dbraw/zinc/36/11/16/344361116.db2.gz NJVLGMBSNOGONN-UHFFFAOYSA-N 2 0 239.363 1.414 20 30 BDEDRP Cc1nccn1CCC[N@@H+](C)[C@H](C)CC#N ZINC000120520846 344893343 /nfs/dbraw/zinc/89/33/43/344893343.db2.gz UYPNBZWMOGMTAV-LLVKDONJSA-N 2 0 220.320 1.816 20 30 BDEDRP C=CC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000395365661 362498977 /nfs/dbraw/zinc/49/89/77/362498977.db2.gz DAHVQHDGGUEAEJ-GFCCVEGCSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401056536 346085382 /nfs/dbraw/zinc/08/53/82/346085382.db2.gz HZBUYFQNDUWNOI-YNEHKIRRSA-N 2 0 240.416 1.883 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186713481 346534176 /nfs/dbraw/zinc/53/41/76/346534176.db2.gz AKSGACRGKALXRN-ZDUSSCGKSA-N 2 0 240.391 1.776 20 30 BDEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH3+] ZINC000591575897 347676815 /nfs/dbraw/zinc/67/68/15/347676815.db2.gz NVEQXZMJBIVOPO-CQSZACIVSA-N 2 0 229.327 1.874 20 30 BDEDRP C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CC[NH+](C)CC1 ZINC000591739599 347694714 /nfs/dbraw/zinc/69/47/14/347694714.db2.gz NGUJQLWOBZQFCX-OLZOCXBDSA-N 2 0 248.374 1.750 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000594512083 348061194 /nfs/dbraw/zinc/06/11/94/348061194.db2.gz TUCVYVZQXVMLNF-SYQHCUMBSA-N 2 0 235.375 1.999 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487683 362911689 /nfs/dbraw/zinc/91/16/89/362911689.db2.gz MRFBEBLVKYUPGM-LBPRGKRZSA-N 2 0 226.364 1.651 20 30 BDEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595887015 348389167 /nfs/dbraw/zinc/38/91/67/348389167.db2.gz BIOBDQVIBWTVNM-IUODEOHRSA-N 2 0 243.354 1.770 20 30 BDEDRP C[NH2+]C[C@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595891016 348390068 /nfs/dbraw/zinc/39/00/68/348390068.db2.gz IVKBIQLWMQPYGV-OAHLLOKOSA-N 2 0 243.354 1.785 20 30 BDEDRP N#Cc1ccc(CCN2CCCC[C@@H]2C[NH3+])cc1 ZINC000595894814 348390825 /nfs/dbraw/zinc/39/08/25/348390825.db2.gz XTAHLOQFBRPMQY-OAHLLOKOSA-N 2 0 243.354 1.914 20 30 BDEDRP Cc1cnccc1CC[NH2+][C@@H](C)CC#N ZINC000308896191 349055492 /nfs/dbraw/zinc/05/54/92/349055492.db2.gz ZNWKKRPYWVUBQS-NSHDSACASA-N 2 0 203.289 1.824 20 30 BDEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000335129200 133794439 /nfs/dbraw/zinc/79/44/39/133794439.db2.gz JGALHBPAGICAKT-OTTFEQOBSA-N 2 0 221.348 1.800 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000336726967 351496866 /nfs/dbraw/zinc/49/68/66/351496866.db2.gz BWJYNNSFORRAPU-CHWSQXEVSA-N 2 0 228.380 1.755 20 30 BDEDRP C=CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336153947 134105277 /nfs/dbraw/zinc/10/52/77/134105277.db2.gz VPXUZVVYCWZWEH-ZDUSSCGKSA-N 2 0 237.391 1.273 20 30 BDEDRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424364030 200921323 /nfs/dbraw/zinc/92/13/23/200921323.db2.gz CSLSRJCBLKJOEA-MROQNXINSA-N 2 0 221.348 1.656 20 30 BDEDRP C=CCOCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429003794 201058522 /nfs/dbraw/zinc/05/85/22/201058522.db2.gz KVHWPJVJQNFKFO-AWEZNQCLSA-N 2 0 238.375 1.607 20 30 BDEDRP Cc1ccc(CN2CC3CC2(C[NH3+])C3)cc1C#N ZINC000600712584 369559553 /nfs/dbraw/zinc/55/95/53/369559553.db2.gz YRSGWIXTLQGWLM-UHFFFAOYSA-N 2 0 241.338 1.790 20 30 BDEDRP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000600768462 369560744 /nfs/dbraw/zinc/56/07/44/369560744.db2.gz GYIQEBPGFIMUSA-ZJUUUORDSA-N 2 0 219.288 1.320 20 30 BDEDRP CN(Cc1ccc(C#N)o1)C1CC([NH3+])C1 ZINC000600768134 369562751 /nfs/dbraw/zinc/56/27/51/369562751.db2.gz COSAZMCBQPYXNZ-UHFFFAOYSA-N 2 0 205.261 1.073 20 30 BDEDRP C[C@H]1CN(Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769689 369563602 /nfs/dbraw/zinc/56/36/02/369563602.db2.gz YBGUUKAQQNUNST-JOYOIKCWSA-N 2 0 219.288 1.320 20 30 BDEDRP C[NH2+]CCCN(C)Cc1ccc(C#N)o1 ZINC000600768965 369563896 /nfs/dbraw/zinc/56/38/96/369563896.db2.gz IPCCNSDOTBBZOX-UHFFFAOYSA-N 2 0 207.277 1.193 20 30 BDEDRP C[C@H]1CN(Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326055 369621846 /nfs/dbraw/zinc/62/18/46/369621846.db2.gz ISOSRPDSLUMTEZ-SMDDNHRTSA-N 2 0 229.327 1.585 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000424381867 206039011 /nfs/dbraw/zinc/03/90/11/206039011.db2.gz RMBVCTXDNJADIH-FQUUOJAGSA-N 2 0 238.375 1.555 20 30 BDEDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865803 384182704 /nfs/dbraw/zinc/18/27/04/384182704.db2.gz TWFUKUXTMNPMJH-RISCZKNCSA-N 2 0 229.327 1.727 20 30 BDEDRP C#CCN(CC#CC)CCC[NH+]1CCCC1 ZINC000490877397 384458527 /nfs/dbraw/zinc/45/85/27/384458527.db2.gz XWIYXYUVMYMZFS-UHFFFAOYSA-N 2 0 218.344 1.431 20 30 BDEDRP C=CCCCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000310156572 384866188 /nfs/dbraw/zinc/86/61/88/384866188.db2.gz HEXUWSAYMAYAEI-UHFFFAOYSA-N 2 0 236.363 1.932 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308839713 385213970 /nfs/dbraw/zinc/21/39/70/385213970.db2.gz JQNGPZJKCQWGQU-UTUOFQBUSA-N 2 0 209.337 1.608 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000158071858 385336607 /nfs/dbraw/zinc/33/66/07/385336607.db2.gz ZALARKRAEDTXJX-STQMWFEESA-N 2 0 233.359 1.897 20 30 BDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170910137 385454985 /nfs/dbraw/zinc/45/49/85/385454985.db2.gz CZCXXCHPYAKMKN-UHFFFAOYSA-N 2 0 248.374 1.515 20 30 BDEDRP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975017 386550083 /nfs/dbraw/zinc/55/00/83/386550083.db2.gz HQHVOXJZQQRIRF-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187122 386850859 /nfs/dbraw/zinc/85/08/59/386850859.db2.gz XVKBGQKZFIJPNI-UONOGXRCSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@@H](CCC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424274 387251018 /nfs/dbraw/zinc/25/10/18/387251018.db2.gz FQOZCPJTWBZPIB-NDBYEHHHSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428662 387254188 /nfs/dbraw/zinc/25/41/88/387254188.db2.gz KOQZLTLHEGWECY-WUHRBBMRSA-N 2 0 208.349 1.929 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[NH2+]1 ZINC000423386356 387270884 /nfs/dbraw/zinc/27/08/84/387270884.db2.gz RSCFFFYKIGHDDX-FDYHWXHSSA-N 2 0 221.348 1.799 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423561119 387375816 /nfs/dbraw/zinc/37/58/16/387375816.db2.gz PTWUFJSGOKBJII-AAEUAGOBSA-N 2 0 221.348 1.800 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423498774 387341086 /nfs/dbraw/zinc/34/10/86/387341086.db2.gz CBJPYAHHNDSCTL-XQQFMLRXSA-N 2 0 226.364 1.555 20 30 BDEDRP C=CCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451977532 387693159 /nfs/dbraw/zinc/69/31/59/387693159.db2.gz DKGGAVJAIPSHSN-UHFFFAOYSA-N 2 0 239.407 1.568 20 30 BDEDRP C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000582660198 387868623 /nfs/dbraw/zinc/86/86/23/387868623.db2.gz ARAGCYZFWZEXSZ-BFHYXJOUSA-N 2 0 248.374 1.892 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000423172782 387959184 /nfs/dbraw/zinc/95/91/84/387959184.db2.gz VFMSIGWUSFNTCQ-NWDGAFQWSA-N 2 0 223.364 1.904 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000424299973 387960582 /nfs/dbraw/zinc/96/05/82/387960582.db2.gz WJMDWJIIMLVWDQ-XUXIUFHCSA-N 2 0 238.375 1.507 20 30 BDEDRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C ZINC000424319598 387968887 /nfs/dbraw/zinc/96/88/87/387968887.db2.gz FFGWMNFMJTXGCY-WUHRBBMRSA-N 2 0 221.348 1.751 20 30 BDEDRP C=C(C)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102184 388143414 /nfs/dbraw/zinc/14/34/14/388143414.db2.gz DQZWYNQIPGWGPC-UHFFFAOYSA-N 2 0 224.348 1.359 20 30 BDEDRP C#C[C@H](C)N(C)CCC[N@H+](C)[C@@H](C)C#C ZINC000491713272 388314118 /nfs/dbraw/zinc/31/41/18/388314118.db2.gz ZSZPVQXZUSSRFR-STQMWFEESA-N 2 0 206.333 1.284 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000271771918 388403072 /nfs/dbraw/zinc/40/30/72/388403072.db2.gz BUMVYHPVMAYWBQ-UHFFFAOYSA-N 2 0 231.299 1.503 20 30 BDEDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1 ZINC000037713180 388586638 /nfs/dbraw/zinc/58/66/38/388586638.db2.gz ZTTHODIGZOKKKA-SNVBAGLBSA-N 2 0 203.289 1.558 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187011055 388604763 /nfs/dbraw/zinc/60/47/63/388604763.db2.gz HLSNXKBLSOCKJT-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C#N)cc1 ZINC000422967506 388687317 /nfs/dbraw/zinc/68/73/17/388687317.db2.gz CCBXBNTXBKXDOU-QWRGUYRKSA-N 2 0 229.327 1.817 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423097129 388687745 /nfs/dbraw/zinc/68/77/45/388687745.db2.gz ISDBCSORTFFZOQ-HUUCEWRRSA-N 2 0 243.354 1.818 20 30 BDEDRP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000423096819 388688442 /nfs/dbraw/zinc/68/84/42/388688442.db2.gz IEBFUTDAXDWQMW-IUODEOHRSA-N 2 0 243.354 1.688 20 30 BDEDRP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371185435 134227597 /nfs/dbraw/zinc/22/75/97/134227597.db2.gz SCDGCHSWDJHZQB-DZGCQCFKSA-N 2 0 232.371 1.958 20 30 BDEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000227336437 134377844 /nfs/dbraw/zinc/37/78/44/134377844.db2.gz MLXGKGVAULIJDT-QWHCGFSZSA-N 2 0 221.348 1.706 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248393966 135002151 /nfs/dbraw/zinc/00/21/51/135002151.db2.gz MMRXMLZAHUQEPP-KBPBESRZSA-N 2 0 220.360 1.816 20 30 BDEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000263957204 135129596 /nfs/dbraw/zinc/12/95/96/135129596.db2.gz IPKVYVZKGHMJAW-UHFFFAOYSA-N 2 0 246.358 1.317 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261689504 135246099 /nfs/dbraw/zinc/24/60/99/135246099.db2.gz BAHGCPWFOPVRFQ-RYUDHWBXSA-N 2 0 238.379 1.197 20 30 BDEDRP CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261836200 135256214 /nfs/dbraw/zinc/25/62/14/135256214.db2.gz WBVKUJVWBCSXMB-CMPLNLGQSA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000261878738 135258701 /nfs/dbraw/zinc/25/87/01/135258701.db2.gz QOAIMAAVWVCRND-NEPJUHHUSA-N 2 0 238.379 1.340 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000262420225 135296164 /nfs/dbraw/zinc/29/61/64/135296164.db2.gz BCHYTGDDLNZOQC-NSHDSACASA-N 2 0 240.395 1.564 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263022929 135327715 /nfs/dbraw/zinc/32/77/15/135327715.db2.gz AEUKTPRLRKEOEN-LBPRGKRZSA-N 2 0 238.379 1.318 20 30 BDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC1 ZINC000263061325 135329696 /nfs/dbraw/zinc/32/96/96/135329696.db2.gz FPJODKODKHUTDF-GFCCVEGCSA-N 2 0 236.363 1.024 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343145388 135360760 /nfs/dbraw/zinc/36/07/60/135360760.db2.gz VIWUPUYKJOAUPS-UHFFFAOYSA-N 2 0 221.348 1.564 20 30 BDEDRP C=CCCOCC[NH2+][C@@H](C)CCC[NH3+] ZINC000308637849 166271326 /nfs/dbraw/zinc/27/13/26/166271326.db2.gz BPJXWFINAVOQHM-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665262881 410736650 /nfs/dbraw/zinc/73/66/50/410736650.db2.gz AVMOFENJFPCQLK-QWHCGFSZSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658210102 411294454 /nfs/dbraw/zinc/29/44/54/411294454.db2.gz OCZLOMIAJQYUBI-OLZOCXBDSA-N 2 0 226.364 1.651 20 30 BDEDRP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCCC1 ZINC000661851477 411903537 /nfs/dbraw/zinc/90/35/37/411903537.db2.gz VPFSRFDDEXAGKX-CYBMUJFWSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662299559 412085985 /nfs/dbraw/zinc/08/59/85/412085985.db2.gz ROMXOZKCXFVQHW-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277658 412221458 /nfs/dbraw/zinc/22/14/58/412221458.db2.gz HOMMQDZJIKVOPO-IALDZJHCSA-N 2 0 208.349 1.929 20 30 BDEDRP C[NH2+]CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000063158969 323114853 /nfs/dbraw/zinc/11/48/53/323114853.db2.gz IOQBRXBVFAUNCO-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP COCC#CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000677820216 487518330 /nfs/dbraw/zinc/51/83/30/487518330.db2.gz JJAZMCJPQIJYCJ-KBPBESRZSA-N 2 0 236.359 1.052 20 30 BDEDRP C=CCCOCC[NH2+][C@H](C)CCC[NH3+] ZINC000308637848 534778556 /nfs/dbraw/zinc/77/85/56/534778556.db2.gz BPJXWFINAVOQHM-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262909341 534845191 /nfs/dbraw/zinc/84/51/91/534845191.db2.gz YJCJXVRZMGUWQJ-LBPRGKRZSA-N 2 0 236.363 1.094 20 30 BDEDRP C=CCOCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000348059663 534873562 /nfs/dbraw/zinc/87/35/62/534873562.db2.gz WLFAOSUEDXSHFI-CQSZACIVSA-N 2 0 240.391 1.853 20 30 BDEDRP C=CCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000338996942 534879068 /nfs/dbraw/zinc/87/90/68/534879068.db2.gz LLEGKSFMFMTFSK-LBPRGKRZSA-N 2 0 212.337 1.073 20 30 BDEDRP CC(C)CNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000104192943 582792262 /nfs/dbraw/zinc/79/22/62/582792262.db2.gz GDNZULAXBPLCER-JTQLQIEISA-N 2 0 226.368 1.029 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000104166903 583152239 /nfs/dbraw/zinc/15/22/39/583152239.db2.gz CYFHRTRTZZKNCH-GFCCVEGCSA-N 2 0 238.379 1.341 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293646 583639406 /nfs/dbraw/zinc/63/94/06/583639406.db2.gz IWBSSOXGGCCHIQ-NEPJUHHUSA-N 2 0 211.353 1.856 20 30 BDEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000895808560 583729564 /nfs/dbraw/zinc/72/95/64/583729564.db2.gz PKRBFCRMXMKMOT-UHFFFAOYSA-N 2 0 229.327 1.321 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401980 584587377 /nfs/dbraw/zinc/58/73/77/584587377.db2.gz GWTDOOFPQZWGHO-CHWSQXEVSA-N 2 0 240.391 1.681 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902484179 584624933 /nfs/dbraw/zinc/62/49/33/584624933.db2.gz FFRLVBPHDAKMBE-DDHJBXDOSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(C#N)c1 ZINC000902488420 584626925 /nfs/dbraw/zinc/62/69/25/584626925.db2.gz YBZWSAQYRYMEDE-MPKXVKKWSA-N 2 0 229.327 1.946 20 30 BDEDRP N#CC1CCC(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000903421295 584763871 /nfs/dbraw/zinc/76/38/71/584763871.db2.gz KRCXOMQKPQNMHP-RUXDESIVSA-N 2 0 235.375 1.987 20 30 BDEDRP N#CC1CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000903422326 584764217 /nfs/dbraw/zinc/76/42/17/584764217.db2.gz YHYSDLWZRDBZAQ-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CCC(C#N)CC1)C2 ZINC000903479016 584778125 /nfs/dbraw/zinc/77/81/25/584778125.db2.gz QASUIALTDTUXNS-PFSRBDOWSA-N 2 0 247.386 1.858 20 30 BDEDRP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000801933977 586278615 /nfs/dbraw/zinc/27/86/15/586278615.db2.gz XCZQRGWCZNEUKW-VXGBXAGGSA-N 2 0 248.330 1.518 20 30 BDEDRP C#CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000830345822 587546876 /nfs/dbraw/zinc/54/68/76/587546876.db2.gz USRXEQVYBLHWEY-CQSZACIVSA-N 2 0 220.360 1.816 20 30 BDEDRP C#C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000847021316 588302863 /nfs/dbraw/zinc/30/28/63/588302863.db2.gz JNAZGGLJHLUYEL-KBPBESRZSA-N 2 0 220.360 1.816 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996366 588429136 /nfs/dbraw/zinc/42/91/36/588429136.db2.gz QXBUAIVWNFVNAE-LBPRGKRZSA-N 2 0 238.379 1.407 20 30 BDEDRP C[C@@H](CCNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000849018478 588438182 /nfs/dbraw/zinc/43/81/82/588438182.db2.gz ZUWCHAGDQFUCEM-NEPJUHHUSA-N 2 0 238.379 1.188 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+]CC#CC[NH2+][C@@](C)(C#C)CC ZINC000852103228 588663487 /nfs/dbraw/zinc/66/34/87/588663487.db2.gz AVBOLBWKGRAVMG-HOTGVXAUSA-N 2 0 244.382 1.773 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873256516 590011547 /nfs/dbraw/zinc/01/15/47/590011547.db2.gz NNYOSMYNLBSRBK-BJDJZHNGSA-N 2 0 207.321 1.396 20 30 BDEDRP C#CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746487 590617896 /nfs/dbraw/zinc/61/78/96/590617896.db2.gz CYHVFVVGRQPRKD-UHFFFAOYSA-N 2 0 229.327 1.617 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001055 590673784 /nfs/dbraw/zinc/67/37/84/590673784.db2.gz OEMIARWSXBPHDK-UONOGXRCSA-N 2 0 240.391 1.994 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000883390200 591641496 /nfs/dbraw/zinc/64/14/96/591641496.db2.gz HYSVQTNBKJHIQW-FRRDWIJNSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000883431821 591662966 /nfs/dbraw/zinc/66/29/66/591662966.db2.gz DVIHNQYJCWJXQF-DGCLKSJQSA-N 2 0 249.362 1.338 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000104168392 592602824 /nfs/dbraw/zinc/60/28/24/592602824.db2.gz ARPJSXPCFDTSGJ-UHFFFAOYSA-N 2 0 240.395 1.519 20 30 BDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000104175805 634573518 /nfs/dbraw/zinc/57/35/18/634573518.db2.gz XWRUYUVAHJPNIV-LBPRGKRZSA-N 2 0 238.379 1.031 20 30 BDEDRP CN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732530 631494905 /nfs/dbraw/zinc/49/49/05/631494905.db2.gz RAHZRJHKRYFSMI-DGAVXFQQSA-N 2 0 233.359 1.562 20 30 BDEDRP CCNC(NCC(C)(C)C[NH+](C)C)=[NH+]CC ZINC000066244960 632860156 /nfs/dbraw/zinc/86/01/56/632860156.db2.gz RIKSAQHVFYXANW-UHFFFAOYSA-N 2 0 228.384 1.149 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303876828 635934337 /nfs/dbraw/zinc/93/43/37/635934337.db2.gz FBBTYRSNFKWITR-LLVKDONJSA-N 2 0 238.379 1.127 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000051814372 636025472 /nfs/dbraw/zinc/02/54/72/636025472.db2.gz INJUEGLMJDSVSO-UHFFFAOYSA-N 2 0 242.366 1.970 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925608750 634143896 /nfs/dbraw/zinc/14/38/96/634143896.db2.gz JALSDSPZKXHGFU-NWBUJAPZSA-N 2 0 219.332 1.266 20 30 BDEDRP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904470248 637423821 /nfs/dbraw/zinc/42/38/21/637423821.db2.gz VUKGMQWEFXBTTO-JGZJWPJOSA-N 2 0 235.356 1.789 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764500 639791781 /nfs/dbraw/zinc/79/17/81/639791781.db2.gz UWUAXINFLOVNFF-GFCCVEGCSA-N 2 0 241.379 1.174 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911857294 639860346 /nfs/dbraw/zinc/86/03/46/639860346.db2.gz GSEWGZOABRKJIU-NSHDSACASA-N 2 0 241.379 1.304 20 30 BDEDRP CC1CC[NH+](CCCCNC(=[NH2+])N(C)C)CC1 ZINC000170903727 640936388 /nfs/dbraw/zinc/93/63/88/640936388.db2.gz RDLNGONIOSFBGP-UHFFFAOYSA-N 2 0 240.395 1.375 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000231800441 641205795 /nfs/dbraw/zinc/20/57/95/641205795.db2.gz LHWWSKPEXIXEHD-QWHCGFSZSA-N 2 0 226.364 1.686 20 30 BDEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000157385655 641618377 /nfs/dbraw/zinc/61/83/77/641618377.db2.gz HDTNSXXTOMTFKD-GFCCVEGCSA-N 2 0 240.395 1.231 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC=C(C)C ZINC000191149830 641903528 /nfs/dbraw/zinc/90/35/28/641903528.db2.gz ALEHTJIQDSUNGH-GFCCVEGCSA-N 2 0 238.379 1.341 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296453 644335352 /nfs/dbraw/zinc/33/53/52/644335352.db2.gz SDGDKVBBBCCXFB-NEPJUHHUSA-N 2 0 212.337 1.031 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923334025 644355285 /nfs/dbraw/zinc/35/52/85/644355285.db2.gz GMADXTLXQQPCML-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923343033 644362639 /nfs/dbraw/zinc/36/26/39/644362639.db2.gz BFMAZFVGGRYVDQ-AGIUHOORSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923426574 644422230 /nfs/dbraw/zinc/42/22/30/644422230.db2.gz OGGWPKLQXNBAEL-ZDUSSCGKSA-N 2 0 238.375 1.532 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1C[NH3+] ZINC000923490336 644465532 /nfs/dbraw/zinc/46/55/32/644465532.db2.gz MXZSQVQZMONFQG-QWRGUYRKSA-N 2 0 233.315 1.568 20 30 BDEDRP C=C(Cl)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491961 644468393 /nfs/dbraw/zinc/46/83/93/644468393.db2.gz VJSZYUNUOHOSAA-WPRPVWTQSA-N 2 0 202.729 1.656 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246280698 644577974 /nfs/dbraw/zinc/57/79/74/644577974.db2.gz BNBNARCWVHBWFK-OLZOCXBDSA-N 2 0 238.400 1.569 20 30 BDEDRP CC(C)C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000303788383 644846323 /nfs/dbraw/zinc/84/63/23/644846323.db2.gz UGMQYDSLIZSAPI-GFCCVEGCSA-N 2 0 242.411 1.442 20 30 BDEDRP CC(C)C[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000303776993 644846887 /nfs/dbraw/zinc/84/68/87/644846887.db2.gz IGHPODGIPBSTGS-NSHDSACASA-N 2 0 242.411 1.666 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303980625 644863041 /nfs/dbraw/zinc/86/30/41/644863041.db2.gz OHGMRGAKBQTFNP-GFCCVEGCSA-N 2 0 240.395 1.373 20 30 BDEDRP C=CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849023911 645446622 /nfs/dbraw/zinc/44/66/22/645446622.db2.gz LLOHJRGQRXBBJD-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925654678 646394676 /nfs/dbraw/zinc/39/46/76/646394676.db2.gz HHNXRSLDEMXOMV-XQQFMLRXSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925702809 646427259 /nfs/dbraw/zinc/42/72/59/646427259.db2.gz DYPAKUVODNCQNH-CYDGBPFRSA-N 2 0 236.359 1.437 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925710125 646434189 /nfs/dbraw/zinc/43/41/89/646434189.db2.gz VMZQMJZCRXZNTD-YQFOFLOKSA-N 2 0 248.370 1.164 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925769852 646470743 /nfs/dbraw/zinc/47/07/43/646470743.db2.gz GCRGFXQDKUAVBG-JHJVBQTASA-N 2 0 226.364 1.291 20 30 BDEDRP C=C(C)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000386862063 711819760 /nfs/dbraw/zinc/81/97/60/711819760.db2.gz JQOVSPJMXRTIQR-NWBUJAPZSA-N 2 0 206.333 1.539 20 30 BDEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840301 711153365 /nfs/dbraw/zinc/15/33/65/711153365.db2.gz YUOJHVUIAOVAFW-GJZGRUSLSA-N 3 0 249.402 1.158 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723711938 711535971 /nfs/dbraw/zinc/53/59/71/711535971.db2.gz KXJFTIWJJSCTDV-GFCCVEGCSA-N 2 0 229.327 1.729 20 30 BDEDRP N#Cc1cc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001159779930 964194615 /nfs/dbraw/zinc/19/46/15/964194615.db2.gz LJHGWFJVDKPSQA-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP N#Cc1cc(Cl)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786751 964200749 /nfs/dbraw/zinc/20/07/49/964200749.db2.gz JCHWAOPONPEEOY-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252618127 968877964 /nfs/dbraw/zinc/87/79/64/968877964.db2.gz PHBRSUTXKIUXDX-LBPRGKRZSA-N 2 0 228.380 1.633 20 30 BDEDRP C#CC[NH+](CC#C)CC1CC[NH+](CC)CC1 ZINC001208603264 969154465 /nfs/dbraw/zinc/15/44/65/969154465.db2.gz YKLWJORWHLSMCT-UHFFFAOYSA-N 2 0 218.344 1.287 20 30 BDEDRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667263 969775550 /nfs/dbraw/zinc/77/55/50/969775550.db2.gz BREJDGJLDMMSTI-ZIAGYGMSSA-N 2 0 235.375 1.952 20 30 BDEDRP C=C[C@@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255947994 970565420 /nfs/dbraw/zinc/56/54/20/970565420.db2.gz CAQLMHAQWYVJLG-RYUDHWBXSA-N 2 0 214.353 1.243 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943524 979041340 /nfs/dbraw/zinc/04/13/40/979041340.db2.gz XRMBIJQRPJCBFF-UHFFFAOYSA-N 2 0 207.321 1.318 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000405230204 971211808 /nfs/dbraw/zinc/21/18/08/971211808.db2.gz AHDQTGYZLRNVHK-UONOGXRCSA-N 2 0 241.338 1.918 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405447298 971259988 /nfs/dbraw/zinc/25/99/88/971259988.db2.gz FTVOSJNJWOVANO-GRYCIOLGSA-N 2 0 224.348 1.173 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCCCC1CC[NH2+]CC1 ZINC001217833564 971427177 /nfs/dbraw/zinc/42/71/77/971427177.db2.gz XCGPOZOINNSCTO-CQSZACIVSA-N 2 0 238.375 1.701 20 30 BDEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3C[C@H]3N)C[C@H](C1)C2 ZINC001257888369 971522058 /nfs/dbraw/zinc/52/20/58/971522058.db2.gz IJAIWWFPRKVVMQ-NRUFJFEESA-N 2 0 206.333 1.811 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1CCC[NH2+]1 ZINC001217926277 971530483 /nfs/dbraw/zinc/53/04/83/971530483.db2.gz DQWMLQUVHCZYIS-JHJVBQTASA-N 2 0 224.348 1.452 20 30 BDEDRP CCCCCCC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258041843 971564352 /nfs/dbraw/zinc/56/43/52/971564352.db2.gz AZMJFSLADTYBIL-NWDGAFQWSA-N 2 0 216.369 1.645 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218205589 971628338 /nfs/dbraw/zinc/62/83/38/971628338.db2.gz GBWRSSZXDUSBDG-ZDUSSCGKSA-N 2 0 245.326 1.024 20 30 BDEDRP N#Cc1ccc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170895484 972050687 /nfs/dbraw/zinc/05/06/87/972050687.db2.gz TUXIJBJQQACESR-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP N#CCc1cccc(N[C@H]([NH3+])CCC[NH3+])c1F ZINC001170898487 972057091 /nfs/dbraw/zinc/05/70/91/972057091.db2.gz CNPURCZGCGOWKI-NSHDSACASA-N 2 0 236.294 1.327 20 30 BDEDRP N#Cc1c[nH]c2cc(N[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC001170901047 972067225 /nfs/dbraw/zinc/06/72/25/972067225.db2.gz UVEMPPSOKDAELO-CYBMUJFWSA-N 2 0 243.314 1.475 20 30 BDEDRP N#CCc1c(F)cccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170904242 972078069 /nfs/dbraw/zinc/07/80/69/972078069.db2.gz MLGBLSPOCVDQMJ-GFCCVEGCSA-N 2 0 236.294 1.327 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246019031 972116358 /nfs/dbraw/zinc/11/63/58/972116358.db2.gz HEOVJTRNAXEQPI-OLZOCXBDSA-N 2 0 244.354 1.466 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001246105769 972169801 /nfs/dbraw/zinc/16/98/01/972169801.db2.gz WXPPQQBRONYGOH-WUHRBBMRSA-N 2 0 221.348 1.514 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246442707 972315923 /nfs/dbraw/zinc/31/59/23/972315923.db2.gz DQGOFENAKABEHE-BXUZGUMPSA-N 2 0 241.338 1.441 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218203122 959889102 /nfs/dbraw/zinc/88/91/02/959889102.db2.gz CFCCYAFIOPRRJC-OAHLLOKOSA-N 2 0 244.338 1.629 20 30 BDEDRP C=CCn1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cn1 ZINC001206623802 960668304 /nfs/dbraw/zinc/66/83/04/960668304.db2.gz ORRAZDMNJRDSHY-ZDUSSCGKSA-N 2 0 248.374 1.630 20 30 BDEDRP C[C@@H]1C[C@@H](C[NH2+]C#C[Si](C)(C)C)C[NH2+]1 ZINC001162557234 965047315 /nfs/dbraw/zinc/04/73/15/965047315.db2.gz DNIMGOFBYAVFPX-MNOVXSKESA-N 2 0 210.397 1.412 20 30 BDEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000702308964 966018104 /nfs/dbraw/zinc/01/81/04/966018104.db2.gz ZLKZNVQCIHPSQN-CYBMUJFWSA-N 2 0 222.376 1.966 20 30 BDEDRP C#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188239 968114461 /nfs/dbraw/zinc/11/44/61/968114461.db2.gz UVNYQLRJHINVBW-LSDHHAIUSA-N 2 0 246.329 1.929 20 30 BDEDRP C#Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206188235 968116946 /nfs/dbraw/zinc/11/69/46/968116946.db2.gz UVNYQLRJHINVBW-HUUCEWRRSA-N 2 0 246.329 1.929 20 30 BDEDRP N#CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207438221 968767960 /nfs/dbraw/zinc/76/79/60/968767960.db2.gz ZBHCQQSZZURBOS-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCCC[NH+](CC)CC ZINC001252571841 968822661 /nfs/dbraw/zinc/82/26/61/968822661.db2.gz KNVBDOSHGXZXIE-ZDUSSCGKSA-N 2 0 228.380 1.635 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252577609 968829543 /nfs/dbraw/zinc/82/95/43/968829543.db2.gz LFDHIDKMPORDFD-WXRRBKDZSA-N 2 0 226.364 1.386 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252579985 968831950 /nfs/dbraw/zinc/83/19/50/968831950.db2.gz ZPBUPPBIHAVMOW-XJFOESAGSA-N 2 0 238.375 1.528 20 30 BDEDRP C#CC[NH+](CC#C)CC1(C)CC[NH+](C)CC1 ZINC001208112732 969007763 /nfs/dbraw/zinc/00/77/63/969007763.db2.gz YEIKNMHRAFXVDQ-UHFFFAOYSA-N 2 0 218.344 1.287 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(S)CC2)C1 ZINC001208612233 969172366 /nfs/dbraw/zinc/17/23/66/969172366.db2.gz LDZOGGKMJHCMJU-NSHDSACASA-N 2 0 228.405 1.722 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001253602485 969296523 /nfs/dbraw/zinc/29/65/23/969296523.db2.gz JLLQJVUIDBWLBE-HNNXBMFYSA-N 2 0 248.370 1.427 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253603976 969301730 /nfs/dbraw/zinc/30/17/30/969301730.db2.gz FBZQEEKYOWPRLK-GFCCVEGCSA-N 2 0 240.391 1.774 20 30 BDEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254678997 969782916 /nfs/dbraw/zinc/78/29/16/969782916.db2.gz JHOABRATLJUZEM-YIYPIFLZSA-N 2 0 233.359 1.562 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191838 972838261 /nfs/dbraw/zinc/83/82/61/972838261.db2.gz GQDARHIMQWBZQA-NEPJUHHUSA-N 2 0 231.343 1.674 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC([NH3+])C1 ZINC001171191915 972842114 /nfs/dbraw/zinc/84/21/14/972842114.db2.gz IASTWRCHXJWMIV-FNBIGBAISA-N 2 0 229.327 1.569 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001171204483 972926823 /nfs/dbraw/zinc/92/68/23/972926823.db2.gz YIDAQJKFPPUFNZ-TUKIKUTGSA-N 2 0 243.354 1.959 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[NH3+] ZINC001172294988 974566666 /nfs/dbraw/zinc/56/66/66/974566666.db2.gz ORLCFWCLTIKYIX-LBPRGKRZSA-N 2 0 231.343 1.818 20 30 BDEDRP N#CCC1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001173326047 975274001 /nfs/dbraw/zinc/27/40/01/975274001.db2.gz RDOPSLAFEXRMFD-MOENNCHZSA-N 2 0 207.321 1.492 20 30 BDEDRP CC[N@H+](C[C@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000691571148 977157414 /nfs/dbraw/zinc/15/74/14/977157414.db2.gz DSCQLRLSGCLMAE-GFCCVEGCSA-N 2 0 223.364 1.810 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] ZINC001340150545 978981134 /nfs/dbraw/zinc/98/11/34/978981134.db2.gz WGUCEGXNAOJZJA-RYUDHWBXSA-N 2 0 243.395 1.528 20 30 BDEDRP C[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943337 979039967 /nfs/dbraw/zinc/03/99/67/979039967.db2.gz TULLDIZHFOVOJD-UHFFFAOYSA-N 2 0 221.348 1.708 20 30 BDEDRP C=CCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313998 979522954 /nfs/dbraw/zinc/52/29/54/979522954.db2.gz DPUSOEWGVJOISX-BETUJISGSA-N 2 0 208.349 1.884 20 30 BDEDRP C#CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC001350366013 981943521 /nfs/dbraw/zinc/94/35/21/981943521.db2.gz VXVZRXVKCXQOMD-AWEZNQCLSA-N 2 0 238.375 1.033 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001580055895 984380818 /nfs/dbraw/zinc/38/08/18/984380818.db2.gz ACPMUNPTZPDWRG-NOOOWODRSA-N 2 0 207.321 1.396 20 30 BDEDRP C=C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253582570 986144138 /nfs/dbraw/zinc/14/41/38/986144138.db2.gz QCPFPNOKARXUGA-CQSZACIVSA-N 2 0 240.391 1.586 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001253597983 986225488 /nfs/dbraw/zinc/22/54/88/986225488.db2.gz LNKASMFSVBRQDL-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001253608755 986273346 /nfs/dbraw/zinc/27/33/46/986273346.db2.gz NJOUKCGMWFTZNS-JXQTWKCFSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001253609603 986278015 /nfs/dbraw/zinc/27/80/15/986278015.db2.gz WGUNDJALMNMSLZ-CQSZACIVSA-N 2 0 247.342 1.187 20 30 BDEDRP N#CC1(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CCOCC1 ZINC001580037864 986442370 /nfs/dbraw/zinc/44/23/70/986442370.db2.gz AKVGPZVYOMHPQR-RYUDHWBXSA-N 2 0 237.347 1.024 20 30 BDEDRP N#CC1CCC(C[NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001580040982 986447121 /nfs/dbraw/zinc/44/71/21/986447121.db2.gz SFXCOWPOIWIYBS-JXQTWKCFSA-N 2 0 235.375 1.906 20 30 BDEDRP N#Cc1ccnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC001580081221 986526557 /nfs/dbraw/zinc/52/65/57/986526557.db2.gz XKUMYAVKIBPMDR-GFCCVEGCSA-N 2 0 244.342 1.514 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245983915 987264325 /nfs/dbraw/zinc/26/43/25/987264325.db2.gz KLFONHRXGORXEI-IJLUTSLNSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994413 987280209 /nfs/dbraw/zinc/28/02/09/987280209.db2.gz KLFONHRXGORXEI-TUAOUCFPSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246023745 987320873 /nfs/dbraw/zinc/32/08/73/987320873.db2.gz SQQGCBQQENCPPE-VXGBXAGGSA-N 2 0 230.327 1.076 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH2+]CC1 ZINC001246077193 987368307 /nfs/dbraw/zinc/36/83/07/987368307.db2.gz IGXAOUFQOXGFSO-GFCCVEGCSA-N 2 0 243.354 1.831 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001246116785 987460569 /nfs/dbraw/zinc/46/05/69/987460569.db2.gz WWOQSYBYQPSEFG-ZIHBUVQPSA-N 2 0 235.375 1.904 20 30 BDEDRP N#CCC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC001246186192 987558582 /nfs/dbraw/zinc/55/85/82/987558582.db2.gz GIEQYCDNFZYTCE-WXRRBKDZSA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@H]1C[C@H]([NH2+]CC(C)(C)S)CC[NH2+]1 ZINC001246283249 987677809 /nfs/dbraw/zinc/67/78/09/987677809.db2.gz AXJVWXUNNIFIOH-DTWKUNHWSA-N 2 0 202.367 1.425 20 30 BDEDRP C[C@H]1C[C@H](NCc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352552 987761748 /nfs/dbraw/zinc/76/17/48/987761748.db2.gz RVCFMBZCRSXXBL-GXFFZTMASA-N 2 0 230.315 1.183 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C1 ZINC001246546670 987931243 /nfs/dbraw/zinc/93/12/43/987931243.db2.gz NGDONQYGNGXBNI-GRYCIOLGSA-N 2 0 207.321 1.492 20 30 BDEDRP C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@H]1C[NH3+] ZINC001246549524 987933599 /nfs/dbraw/zinc/93/35/99/987933599.db2.gz SKBBMLKFXZABCU-MRFVTOPCSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246554008 987957101 /nfs/dbraw/zinc/95/71/01/987957101.db2.gz AOKYNAWMJVCJCH-ZOBORPQBSA-N 2 0 235.375 1.985 20 30 BDEDRP C=CCOC1CCC([NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001246586501 988145761 /nfs/dbraw/zinc/14/57/61/988145761.db2.gz BGGGHHITBFXGPO-UHFFFAOYSA-N 2 0 238.375 1.781 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607219 988230285 /nfs/dbraw/zinc/23/02/85/988230285.db2.gz VLHACUMCYITVTQ-CYBMUJFWSA-N 2 0 237.391 1.369 20 30 BDEDRP SC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246822530 988512952 /nfs/dbraw/zinc/51/29/52/988512952.db2.gz BMGRNYYUWYEODI-ZACCUICWSA-N 2 0 226.389 1.664 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246837925 988539558 /nfs/dbraw/zinc/53/95/58/988539558.db2.gz WZDDCYFFXDDOEU-XQQFMLRXSA-N 2 0 206.333 1.472 20 30 BDEDRP C[C@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)CC[NH2+]1 ZINC001246846339 988559102 /nfs/dbraw/zinc/55/91/02/988559102.db2.gz GEHKHNAGGPILAX-RYUDHWBXSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCSCC[NH3+] ZINC001258721428 991652706 /nfs/dbraw/zinc/65/27/06/991652706.db2.gz VKOZAHPFESBJSQ-SNVBAGLBSA-N 2 0 202.367 1.623 20 30 BDEDRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001261424202 992293873 /nfs/dbraw/zinc/29/38/73/992293873.db2.gz PLRHTGNZIDQHNO-IJLUTSLNSA-N 2 0 209.337 1.656 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001575987842 993151457 /nfs/dbraw/zinc/15/14/57/993151457.db2.gz JBXMJLCPTFSJJE-NSHDSACASA-N 2 0 246.358 1.309 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000602535319 349603089 /nfs/dbraw/zinc/60/30/89/349603089.db2.gz VRIWWFLIQNSJNC-RYUDHWBXSA-N 2 0 211.353 1.856 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000390506395 539022746 /nfs/dbraw/zinc/02/27/46/539022746.db2.gz XGTHOSONQLSAJN-WCQYABFASA-N 2 0 224.348 1.261 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000389378011 539016082 /nfs/dbraw/zinc/01/60/82/539016082.db2.gz BNUXVGNSHDXXER-RYUDHWBXSA-N 2 0 212.337 1.261 20 30 BDEDRP C[NH+]1CCC2(CC[N@H+](CCCC#N)C2)CC1 ZINC000602878012 349790174 /nfs/dbraw/zinc/79/01/74/349790174.db2.gz OGAZKINVFDRBBO-UHFFFAOYSA-N 2 0 221.348 1.708 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000034566756 136302323 /nfs/dbraw/zinc/30/23/23/136302323.db2.gz FUJRFKWLRTXOMB-AWEZNQCLSA-N 2 0 229.327 1.729 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580580594 365790189 /nfs/dbraw/zinc/79/01/89/365790189.db2.gz DHEYMDNQVXALJC-LOWDOPEQSA-N 2 0 224.348 1.437 20 30 BDEDRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000600712886 344361611 /nfs/dbraw/zinc/36/16/11/344361611.db2.gz CFFCAVMDKIECCG-IRCOFANPSA-N 2 0 207.321 1.409 20 30 BDEDRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)CC#N ZINC000120520686 344893297 /nfs/dbraw/zinc/89/32/97/344893297.db2.gz UYPNBZWMOGMTAV-NSHDSACASA-N 2 0 220.320 1.816 20 30 BDEDRP CC[C@H](CC#N)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156084735 345123628 /nfs/dbraw/zinc/12/36/28/345123628.db2.gz NCFSERUAEWNKDS-FRRDWIJNSA-N 2 0 221.348 1.895 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC[NH+](C)CC1 ZINC000591739598 347694758 /nfs/dbraw/zinc/69/47/58/347694758.db2.gz NGUJQLWOBZQFCX-CHWSQXEVSA-N 2 0 248.374 1.750 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000592439035 347779070 /nfs/dbraw/zinc/77/90/70/347779070.db2.gz YCUGLQYUJYFUNP-XGFWRYKXSA-N 2 0 233.359 1.656 20 30 BDEDRP N#Cc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000595293958 348215475 /nfs/dbraw/zinc/21/54/75/348215475.db2.gz VMSIPDWFOAKEQJ-GJZGRUSLSA-N 2 0 241.338 1.252 20 30 BDEDRP C[NH2+][C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595893590 348390914 /nfs/dbraw/zinc/39/09/14/348390914.db2.gz RKWVPNAYTIFQGH-AWEZNQCLSA-N 2 0 229.327 1.394 20 30 BDEDRP N#Cc1ccc(CCN2CCCC[C@H]2C[NH3+])cc1 ZINC000595894813 348390953 /nfs/dbraw/zinc/39/09/53/348390953.db2.gz XTAHLOQFBRPMQY-HNNXBMFYSA-N 2 0 243.354 1.914 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596647769 348604488 /nfs/dbraw/zinc/60/44/88/348604488.db2.gz BFQJONDLTIIQFN-RYUDHWBXSA-N 2 0 221.348 1.930 20 30 BDEDRP C=CCCSCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000596650624 348606274 /nfs/dbraw/zinc/60/62/74/348606274.db2.gz MBLQHBCKZSRDKB-MNOVXSKESA-N 2 0 214.378 1.765 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653022 348606665 /nfs/dbraw/zinc/60/66/65/348606665.db2.gz YPXFATILRKLWQY-NEPJUHHUSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719216 349027264 /nfs/dbraw/zinc/02/72/64/349027264.db2.gz IJXZQBAEYOZDEW-NEPJUHHUSA-N 2 0 241.379 1.217 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000336726975 351496613 /nfs/dbraw/zinc/49/66/13/351496613.db2.gz BWJYNNSFORRAPU-STQMWFEESA-N 2 0 228.380 1.755 20 30 BDEDRP C[NH+](C)CCc1ccc(CNCCC#N)cc1 ZINC000577723475 366043897 /nfs/dbraw/zinc/04/38/97/366043897.db2.gz YJACDNGYICMFID-UHFFFAOYSA-N 2 0 231.343 1.794 20 30 BDEDRP C[C@@H](CCC#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000411178397 191168073 /nfs/dbraw/zinc/16/80/73/191168073.db2.gz XTLQQKOQTVSMRZ-LBPRGKRZSA-N 2 0 223.364 1.952 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336740147 352368520 /nfs/dbraw/zinc/36/85/20/352368520.db2.gz LZCWVUGFPBOCBN-RWMBFGLXSA-N 2 0 226.364 1.101 20 30 BDEDRP C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336760222 353171489 /nfs/dbraw/zinc/17/14/89/353171489.db2.gz LPMMVGBPHLCHMJ-VXGBXAGGSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000336772068 353311522 /nfs/dbraw/zinc/31/15/22/353311522.db2.gz VCCBHTVFNGJIPI-LBPRGKRZSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350182036 355621501 /nfs/dbraw/zinc/62/15/01/355621501.db2.gz WESIVNBYHCZFEZ-ZDUSSCGKSA-N 2 0 226.364 1.605 20 30 BDEDRP C=CCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324226 192227961 /nfs/dbraw/zinc/22/79/61/192227961.db2.gz HDUUYPXJFHLXCC-ZDUSSCGKSA-N 2 0 238.375 1.640 20 30 BDEDRP C[C@@H](CCCC[NH3+])[NH2+]CC1(CC#N)CC1 ZINC000423093637 192565397 /nfs/dbraw/zinc/56/53/97/192565397.db2.gz IHFPTSDRXWKXLZ-NSHDSACASA-N 2 0 209.337 1.787 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423299273 192689000 /nfs/dbraw/zinc/68/90/00/192689000.db2.gz BOHAJRYJVAPWSR-MNOVXSKESA-N 2 0 217.316 1.804 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389220 361035452 /nfs/dbraw/zinc/03/54/52/361035452.db2.gz WMEQQRCZBYWNMZ-GFCCVEGCSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000574288868 365030872 /nfs/dbraw/zinc/03/08/72/365030872.db2.gz WRLNFLFCLIPGIH-CYBMUJFWSA-N 2 0 226.364 1.197 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000459744817 203350681 /nfs/dbraw/zinc/35/06/81/203350681.db2.gz XXNJZYKEONADAH-LBPRGKRZSA-N 2 0 247.342 1.973 20 30 BDEDRP Cc1ccc(C[N@H+](C)CCC[NH3+])cc1C#N ZINC000600699700 369557938 /nfs/dbraw/zinc/55/79/38/369557938.db2.gz BZEVIQWXLGUECK-UHFFFAOYSA-N 2 0 217.316 1.647 20 30 BDEDRP C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@@]1(C)C[NH3+] ZINC000600769247 369560805 /nfs/dbraw/zinc/56/08/05/369560805.db2.gz KOHQQGWEBUYYTP-ZWNOBZJWSA-N 2 0 233.315 1.568 20 30 BDEDRP C[C@@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769806 369562701 /nfs/dbraw/zinc/56/27/01/369562701.db2.gz RNBSFNJEVVRCHG-GHMZBOCLSA-N 2 0 233.315 1.568 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334526 371485089 /nfs/dbraw/zinc/48/50/89/371485089.db2.gz BSZWBHZDSPBTPB-AGIUHOORSA-N 2 0 226.364 1.243 20 30 BDEDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000216029265 371683555 /nfs/dbraw/zinc/68/35/55/371683555.db2.gz NSRQIXAMAOIUNG-RISCZKNCSA-N 2 0 229.327 1.727 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000424378627 206038257 /nfs/dbraw/zinc/03/82/57/206038257.db2.gz NVSOYXUPKBJQOL-XUXIUFHCSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000424380942 206040640 /nfs/dbraw/zinc/04/06/40/206040640.db2.gz QHISMNIGZMXAIT-CRWXNKLISA-N 2 0 238.375 1.827 20 30 BDEDRP N#CCC[C@H](C#N)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569568923 384259330 /nfs/dbraw/zinc/25/93/30/384259330.db2.gz SLSDOFFSRIOMHL-HZSPNIEDSA-N 2 0 246.358 1.646 20 30 BDEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000173893743 384280631 /nfs/dbraw/zinc/28/06/31/384280631.db2.gz MXTHTZYNJVKCEK-GFCCVEGCSA-N 2 0 241.404 1.517 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000158071421 385338315 /nfs/dbraw/zinc/33/83/15/385338315.db2.gz ZALARKRAEDTXJX-CHWSQXEVSA-N 2 0 233.359 1.897 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186715654 385785924 /nfs/dbraw/zinc/78/59/24/385785924.db2.gz QUZDAUZSRJGQMZ-YNEHKIRRSA-N 2 0 224.348 1.140 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000186699655 385782504 /nfs/dbraw/zinc/78/25/04/385782504.db2.gz ZVYAXCUEQHMUEU-ZDUSSCGKSA-N 2 0 226.364 1.387 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645187118 386849875 /nfs/dbraw/zinc/84/98/75/386849875.db2.gz XVKBGQKZFIJPNI-KBPBESRZSA-N 2 0 238.375 1.341 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000335025038 387115788 /nfs/dbraw/zinc/11/57/88/387115788.db2.gz QNZOZGHRIRMDHM-GHMZBOCLSA-N 2 0 207.321 1.540 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423414297 387247178 /nfs/dbraw/zinc/24/71/78/387247178.db2.gz BVNOWWWQPNIAFS-MJBXVCDLSA-N 2 0 240.391 1.945 20 30 BDEDRP C=CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423424511 387250725 /nfs/dbraw/zinc/25/07/25/387250725.db2.gz FTERIJOCOSQWFJ-XQHKEYJVSA-N 2 0 206.333 1.539 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000320268561 387253885 /nfs/dbraw/zinc/25/38/85/387253885.db2.gz KXQAJGACPFWXIG-GRYCIOLGSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492957 387335738 /nfs/dbraw/zinc/33/57/38/387335738.db2.gz PCYSAOORYPSAIT-KGLIPLIRSA-N 2 0 238.375 1.699 20 30 BDEDRP C=CCN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422859465 387744962 /nfs/dbraw/zinc/74/49/62/387744962.db2.gz KFCNRRIWQCCNSK-ZDUSSCGKSA-N 2 0 239.407 1.744 20 30 BDEDRP C=CCN1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863844 387746672 /nfs/dbraw/zinc/74/66/72/387746672.db2.gz SLIAXMVWFVFGHE-OCCSQVGLSA-N 2 0 237.391 1.354 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422994799 387802141 /nfs/dbraw/zinc/80/21/41/387802141.db2.gz WIEIHGUYJWZHCL-CHWSQXEVSA-N 2 0 226.364 1.557 20 30 BDEDRP C=C(C)COCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422995839 387802695 /nfs/dbraw/zinc/80/26/95/387802695.db2.gz ZMOUSTKUDXCJRW-UHFFFAOYSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423012700 387836605 /nfs/dbraw/zinc/83/66/05/387836605.db2.gz DOTDPDDZMYJNIU-XQQFMLRXSA-N 2 0 226.364 1.421 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423014967 387838889 /nfs/dbraw/zinc/83/88/89/387838889.db2.gz JRAQNPSVCQPJNW-CQDKDKBSSA-N 2 0 246.354 1.905 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423014369 387838927 /nfs/dbraw/zinc/83/89/27/387838927.db2.gz IENPUUOMOQUJEW-RWMBFGLXSA-N 2 0 226.364 1.149 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423015861 387839382 /nfs/dbraw/zinc/83/93/82/387839382.db2.gz LNCUWUOJOXVDHG-AVGNSLFASA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423108902 387893574 /nfs/dbraw/zinc/89/35/74/387893574.db2.gz RRCNDALTZYKYLN-GFCCVEGCSA-N 2 0 246.354 1.949 20 30 BDEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423108903 387893844 /nfs/dbraw/zinc/89/38/44/387893844.db2.gz RRCNDALTZYKYLN-LBPRGKRZSA-N 2 0 246.354 1.949 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423138143 387916154 /nfs/dbraw/zinc/91/61/54/387916154.db2.gz SGEKDYIGSKJOHT-YNEHKIRRSA-N 2 0 240.391 1.931 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423154993 387934056 /nfs/dbraw/zinc/93/40/56/387934056.db2.gz PXBPQSZCODFAET-XQQFMLRXSA-N 2 0 226.364 1.827 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423155730 387934380 /nfs/dbraw/zinc/93/43/80/387934380.db2.gz LNUCFWPPIVVXJT-IJLUTSLNSA-N 2 0 212.337 1.295 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423183153 387967368 /nfs/dbraw/zinc/96/73/68/387967368.db2.gz RJOQQLXIHMKJPK-AWEZNQCLSA-N 2 0 239.407 1.616 20 30 BDEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447603810 388081903 /nfs/dbraw/zinc/08/19/03/388081903.db2.gz XURAQIBZOXFDBS-CHWSQXEVSA-N 2 0 239.363 1.237 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000491821472 388324168 /nfs/dbraw/zinc/32/41/68/388324168.db2.gz VVBOQOSFTXNMFI-ZDUSSCGKSA-N 2 0 234.343 1.755 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000108489141 388586195 /nfs/dbraw/zinc/58/61/95/388586195.db2.gz SBHZFQHGZNMYGU-MELADBBJSA-N 2 0 240.391 1.897 20 30 BDEDRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(C#N)c1 ZINC000037715555 388586241 /nfs/dbraw/zinc/58/62/41/388586241.db2.gz ADIZGCCMRSRZNG-NSHDSACASA-N 2 0 217.316 1.948 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000404829845 388636541 /nfs/dbraw/zinc/63/65/41/388636541.db2.gz HYJXTEJLZDERJH-OCCSQVGLSA-N 2 0 247.317 1.914 20 30 BDEDRP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000423096818 388687738 /nfs/dbraw/zinc/68/77/38/388687738.db2.gz IEBFUTDAXDWQMW-DOMZBBRYSA-N 2 0 243.354 1.688 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219317858 134281513 /nfs/dbraw/zinc/28/15/13/134281513.db2.gz WSDQRIIEJFPMJD-LBPRGKRZSA-N 2 0 214.353 1.509 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])Nc1ccccn1 ZINC000178566619 134311387 /nfs/dbraw/zinc/31/13/87/134311387.db2.gz GXXZFBIJCIVMPW-UHFFFAOYSA-N 2 0 235.335 1.196 20 30 BDEDRP C#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000227343717 134377987 /nfs/dbraw/zinc/37/79/87/134377987.db2.gz PHYCVXWBCROYMP-CHWSQXEVSA-N 2 0 206.333 1.426 20 30 BDEDRP C=CCSCC[NH2+][C@@H](C)CCC[NH3+] ZINC000336643399 134885069 /nfs/dbraw/zinc/88/50/69/134885069.db2.gz HWINCEYTWXFOMB-JTQLQIEISA-N 2 0 202.367 1.623 20 30 BDEDRP C=CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261539459 135177921 /nfs/dbraw/zinc/17/79/21/135177921.db2.gz CMUBIPAIWGHMKM-UHFFFAOYSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277595 135236301 /nfs/dbraw/zinc/23/63/01/135236301.db2.gz LQRVPOCWMJDBCV-OLZOCXBDSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341871922 135244141 /nfs/dbraw/zinc/24/41/41/135244141.db2.gz DJECFRZYDVCKKQ-ZOBORPQBSA-N 2 0 240.391 1.489 20 30 BDEDRP [NH2+]=C(NC1CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000262321244 135292792 /nfs/dbraw/zinc/29/27/92/135292792.db2.gz CMGPEFUVCUUKDN-UHFFFAOYSA-N 2 0 236.363 1.070 20 30 BDEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC1CCCC1 ZINC000263279844 135344126 /nfs/dbraw/zinc/34/41/26/135344126.db2.gz ZRTLJTXIYJOMCB-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000320975277 398035001 /nfs/dbraw/zinc/03/50/01/398035001.db2.gz HCMYQEWNFQDSBW-MGPQQGTHSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694858 409561589 /nfs/dbraw/zinc/56/15/89/409561589.db2.gz JRYDPMNOYCRNAG-UHFFFAOYSA-N 2 0 240.391 1.635 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400956254 411166499 /nfs/dbraw/zinc/16/64/99/411166499.db2.gz HGXVPIRRPOXHKH-BFHYXJOUSA-N 2 0 238.375 1.557 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400952345 411166731 /nfs/dbraw/zinc/16/67/31/411166731.db2.gz XHRJRSBTKLXUJI-RWMBFGLXSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657659217 411572409 /nfs/dbraw/zinc/57/24/09/411572409.db2.gz RMQVGXOJFXASKO-ZIAGYGMSSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659749 411615286 /nfs/dbraw/zinc/61/52/86/411615286.db2.gz QOAVMTKVGWTNKW-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000310135279 176328193 /nfs/dbraw/zinc/32/81/93/176328193.db2.gz IUNGGIKFAAEXFL-RISCZKNCSA-N 2 0 229.327 1.646 20 30 BDEDRP C=CCC[C@@H](O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496596 487740893 /nfs/dbraw/zinc/74/08/93/487740893.db2.gz USXRZUWARJARQZ-UONOGXRCSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000320598956 323182333 /nfs/dbraw/zinc/18/23/33/323182333.db2.gz DACPASXHWPCRKR-RYUDHWBXSA-N 2 0 214.353 1.421 20 30 BDEDRP C=C(C)CC[NH2+][C@@H](CCC[NH3+])COC ZINC000395735756 323240652 /nfs/dbraw/zinc/24/06/52/323240652.db2.gz QOXPACNZBQDTPZ-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000567987257 326291781 /nfs/dbraw/zinc/29/17/81/326291781.db2.gz XOXWSEZIQCXMLU-SNVBAGLBSA-N 2 0 203.289 1.385 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341882375 534402830 /nfs/dbraw/zinc/40/28/30/534402830.db2.gz HBGCUVHNWZUFKZ-MELADBBJSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000261902794 534844878 /nfs/dbraw/zinc/84/48/78/534844878.db2.gz WLBPVAOWWYPMLE-LBPRGKRZSA-N 2 0 238.379 1.197 20 30 BDEDRP C=CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200391 534847134 /nfs/dbraw/zinc/84/71/34/534847134.db2.gz OYJRTVMHZRKGAP-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP C#CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000490763921 526957652 /nfs/dbraw/zinc/95/76/52/526957652.db2.gz YGQLOYAXVRAZBL-CYBMUJFWSA-N 2 0 224.348 1.052 20 30 BDEDRP C[C@H](CC[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000895293302 583639685 /nfs/dbraw/zinc/63/96/85/583639685.db2.gz YUDBHKFWYYMGKE-PNESKVBLSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H](C)c2cn(C)nn2)CC1 ZINC000902796385 584674237 /nfs/dbraw/zinc/67/42/37/584674237.db2.gz PFWBJDJBPAMANF-NSHDSACASA-N 2 0 249.362 1.116 20 30 BDEDRP N#CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033534 584718643 /nfs/dbraw/zinc/71/86/43/584718643.db2.gz WRAFXLCGQFRRFN-QWHCGFSZSA-N 2 0 233.359 1.897 20 30 BDEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCC[NH3+] ZINC000903425101 584765430 /nfs/dbraw/zinc/76/54/30/584765430.db2.gz RUGJKUQYKUGLTO-UHFFFAOYSA-N 2 0 231.343 1.956 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000903563701 584782339 /nfs/dbraw/zinc/78/23/39/584782339.db2.gz JSBSBSGAWQJEBS-RYUDHWBXSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)COC ZINC000903766950 584797347 /nfs/dbraw/zinc/79/73/47/584797347.db2.gz DINSAOQWMFIWCJ-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759968297 585383332 /nfs/dbraw/zinc/38/33/32/585383332.db2.gz XJQHGINNWSULGS-ZDUSSCGKSA-N 2 0 208.349 1.816 20 30 BDEDRP C#CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000760842306 585399493 /nfs/dbraw/zinc/39/94/93/585399493.db2.gz GEZSKXZGAOPGCC-STQMWFEESA-N 2 0 208.349 1.814 20 30 BDEDRP C#C[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000847022074 588302543 /nfs/dbraw/zinc/30/25/43/588302543.db2.gz RVTUPIGDSLFGKR-ZDUSSCGKSA-N 2 0 217.316 1.618 20 30 BDEDRP C[NH+]=C(NCC[NH+]1CCCCCC1)NC1CC1 ZINC000848987696 588425995 /nfs/dbraw/zinc/42/59/95/588425995.db2.gz RHNCCDUAWHZFEI-UHFFFAOYSA-N 2 0 238.379 1.190 20 30 BDEDRP CCNC(NCCCC[N@H+](C)C1CC1)=[NH+]CC ZINC000849039703 588447106 /nfs/dbraw/zinc/44/71/06/588447106.db2.gz OCIGOKQKTNKVJM-UHFFFAOYSA-N 2 0 240.395 1.436 20 30 BDEDRP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000851848222 588634544 /nfs/dbraw/zinc/63/45/44/588634544.db2.gz ZVKWYJIDZQHMIP-UONOGXRCSA-N 2 0 238.375 1.298 20 30 BDEDRP N#Cc1ccc(C[NH2+]CCCCCC[NH3+])o1 ZINC000863641769 589306236 /nfs/dbraw/zinc/30/62/36/589306236.db2.gz BPDSETJPPPCILB-UHFFFAOYSA-N 2 0 221.304 1.760 20 30 BDEDRP CNC(NC[C@@H]1CC[N@@H+]1C1CCCCC1)=[NH+]C ZINC000864357423 589354922 /nfs/dbraw/zinc/35/49/22/589354922.db2.gz WQHDLBZGPBXTOP-LBPRGKRZSA-N 2 0 238.379 1.188 20 30 BDEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000873274406 590016953 /nfs/dbraw/zinc/01/69/53/590016953.db2.gz DBZVNWLMVUJHRT-QLFBSQMISA-N 2 0 241.338 1.495 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000883434421 591664275 /nfs/dbraw/zinc/66/42/75/591664275.db2.gz QWXOBGYOQLAENU-GFCCVEGCSA-N 2 0 226.364 1.651 20 30 BDEDRP CC[C@@H](CNC(=[NH2+])N(CC)CC)[NH+]1CCCC1 ZINC000104166835 592602638 /nfs/dbraw/zinc/60/26/38/592602638.db2.gz YXGLVOBEZRFQAY-LBPRGKRZSA-N 2 0 240.395 1.517 20 30 BDEDRP CCN(CC)C(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000104181102 592603504 /nfs/dbraw/zinc/60/35/04/592603504.db2.gz OFSFQSHAKLEPON-UHFFFAOYSA-N 2 0 240.395 1.375 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000104174456 634568943 /nfs/dbraw/zinc/56/89/43/634568943.db2.gz PSVNOZOYIYBMQA-LBPRGKRZSA-N 2 0 240.395 1.423 20 30 BDEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178564087 635504232 /nfs/dbraw/zinc/50/42/32/635504232.db2.gz LGRGLMLKICFNTD-LLVKDONJSA-N 2 0 247.346 1.150 20 30 BDEDRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925682474 634282607 /nfs/dbraw/zinc/28/26/07/634282607.db2.gz XWZDAHSYEVMTMH-SDDRHHMPSA-N 2 0 221.348 1.799 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925682151 634285018 /nfs/dbraw/zinc/28/50/18/634285018.db2.gz UEGUPARBRPOZIV-RVMXOQNASA-N 2 0 233.359 1.928 20 30 BDEDRP CC(C)C(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194433890 634315719 /nfs/dbraw/zinc/31/57/19/634315719.db2.gz URHASQKIJHGFBQ-UHFFFAOYSA-N 2 0 213.325 1.417 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811229 635366751 /nfs/dbraw/zinc/36/67/51/635366751.db2.gz HMJOFEXNLKBOAC-LBPRGKRZSA-N 2 0 225.380 1.354 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000321071106 636557018 /nfs/dbraw/zinc/55/70/18/636557018.db2.gz ZVOLRYHFNSZVPS-FUDCBSFHSA-N 2 0 238.375 1.528 20 30 BDEDRP N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903564506 637369130 /nfs/dbraw/zinc/36/91/30/637369130.db2.gz XWIDLWXRJQRJAM-SDDRHHMPSA-N 2 0 207.321 1.349 20 30 BDEDRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC000931721745 640338034 /nfs/dbraw/zinc/33/80/34/640338034.db2.gz WJXBXFKZOATBES-IGQOVBAYSA-N 2 0 233.359 1.847 20 30 BDEDRP C[C@@H](C#N)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120771 641135195 /nfs/dbraw/zinc/13/51/95/641135195.db2.gz SWCCJBNKEAUANC-NSHDSACASA-N 2 0 209.337 1.420 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247034923 642386050 /nfs/dbraw/zinc/38/60/50/642386050.db2.gz LMDYZYMCBOPNDU-QWHCGFSZSA-N 2 0 208.349 1.720 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCCCCC1 ZINC000305094446 642639847 /nfs/dbraw/zinc/63/98/47/642639847.db2.gz YROIZZIECNNTTJ-UHFFFAOYSA-N 2 0 240.395 1.519 20 30 BDEDRP C[C@@H](CCNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000181378246 642866348 /nfs/dbraw/zinc/86/63/48/642866348.db2.gz SYALWGPPJRXZEG-NSHDSACASA-N 2 0 238.379 1.318 20 30 BDEDRP CN(C(=[NH2+])NCCC[NH+]1CCCCC1)C1CC1 ZINC000181460740 642874028 /nfs/dbraw/zinc/87/40/28/642874028.db2.gz ZDKXCYPBNWCAMR-UHFFFAOYSA-N 2 0 238.379 1.271 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296172 644334959 /nfs/dbraw/zinc/33/49/59/644334959.db2.gz OJDHOKRBZQJPQR-NWDGAFQWSA-N 2 0 214.353 1.277 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355487 644371081 /nfs/dbraw/zinc/37/10/81/644371081.db2.gz MSWKATMNUCVOCK-KGLIPLIRSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422380 644418886 /nfs/dbraw/zinc/41/88/86/644418886.db2.gz QOSFJOQWJAXCMW-HBNTYKKESA-N 2 0 212.337 1.029 20 30 BDEDRP C=CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455312 644435203 /nfs/dbraw/zinc/43/52/03/644435203.db2.gz SKRBKRYIKMDICK-GFCCVEGCSA-N 2 0 224.348 1.392 20 30 BDEDRP N#CC1CCC(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923515663 644481210 /nfs/dbraw/zinc/48/12/10/644481210.db2.gz JUIPIWHYDOFDQR-PFSRBDOWSA-N 2 0 247.386 1.858 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303257859 644812849 /nfs/dbraw/zinc/81/28/49/644812849.db2.gz JWMASVMAZBEZOL-MNOVXSKESA-N 2 0 238.379 1.174 20 30 BDEDRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCCCC1 ZINC000303781546 644845682 /nfs/dbraw/zinc/84/56/82/644845682.db2.gz MJNNFUWJWUAHFJ-UHFFFAOYSA-N 2 0 238.379 1.273 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000303878116 644852871 /nfs/dbraw/zinc/85/28/71/644852871.db2.gz FTRFEIDUPLOPDO-UHFFFAOYSA-N 2 0 238.379 1.199 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCCCC1 ZINC000303972478 644860898 /nfs/dbraw/zinc/86/08/98/644860898.db2.gz FTXSKBKKBDZGEF-LBPRGKRZSA-N 2 0 240.395 1.517 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])N1CCCCC1)C(C)C ZINC000303990429 644864089 /nfs/dbraw/zinc/86/40/89/644864089.db2.gz YOZFRJDXNGPRQK-UHFFFAOYSA-N 2 0 240.395 1.517 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000304753018 644929951 /nfs/dbraw/zinc/92/99/51/644929951.db2.gz KSHVGIWINCEBIK-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000304761894 644930506 /nfs/dbraw/zinc/93/05/06/644930506.db2.gz VBSHCZBOHJYTPY-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCCCC1 ZINC000304763442 644933195 /nfs/dbraw/zinc/93/31/95/644933195.db2.gz WUTFKYGLVYIEFD-UHFFFAOYSA-N 2 0 226.368 1.175 20 30 BDEDRP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847005263 645413123 /nfs/dbraw/zinc/41/31/23/645413123.db2.gz RDTQZZZAFDINMD-UONOGXRCSA-N 2 0 238.375 1.034 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925628634 646373741 /nfs/dbraw/zinc/37/37/41/646373741.db2.gz FKXFBCBCFYPNQQ-SDDRHHMPSA-N 2 0 224.348 1.031 20 30 BDEDRP C=CCC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925785291 646481650 /nfs/dbraw/zinc/48/16/50/646481650.db2.gz VZCLSAPUIATSIQ-RAIGVLPGSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CC[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000715053688 712505000 /nfs/dbraw/zinc/50/50/00/712505000.db2.gz OAHWPBGVHQJECH-LLVKDONJSA-N 2 0 200.326 1.119 20 30 BDEDRP C=C1CCC(C[NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000724440895 711580872 /nfs/dbraw/zinc/58/08/72/711580872.db2.gz MOKUMUVEVGBMBI-NSHDSACASA-N 2 0 208.349 1.930 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000702651728 712058734 /nfs/dbraw/zinc/05/87/34/712058734.db2.gz KHHYPZPCTWVDMW-CYBMUJFWSA-N 2 0 221.348 1.612 20 30 BDEDRP C#CC1(O)CC[NH+](CCCn2ccnc2C)CC1 ZINC000707911670 712173235 /nfs/dbraw/zinc/17/32/35/712173235.db2.gz MIKKKNJGNGDOOO-UHFFFAOYSA-N 2 0 247.342 1.042 20 30 BDEDRP SCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363238 964673520 /nfs/dbraw/zinc/67/35/20/964673520.db2.gz WNLKHECJPBBCSL-UHFFFAOYSA-N 2 0 228.405 1.770 20 30 BDEDRP C=CCCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205665387 967753702 /nfs/dbraw/zinc/75/37/02/967753702.db2.gz QSPRZMXUNBDZFM-AWEZNQCLSA-N 2 0 240.391 1.909 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001208111040 969005860 /nfs/dbraw/zinc/00/58/60/969005860.db2.gz AUCCWJYLXLRAIZ-GFCCVEGCSA-N 2 0 221.348 1.564 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(C)(C)S)C2 ZINC001169107438 969448969 /nfs/dbraw/zinc/44/89/69/969448969.db2.gz GTOJWVCIKXOEQZ-JGPRNRPPSA-N 2 0 228.405 1.910 20 30 BDEDRP CC1(C#N)CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001173591096 975443468 /nfs/dbraw/zinc/44/34/68/975443468.db2.gz SEBVGFQIDIKJCA-UHFFFAOYSA-N 2 0 207.321 1.538 20 30 BDEDRP C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+](C)C ZINC001335955486 977383630 /nfs/dbraw/zinc/38/36/30/977383630.db2.gz VKQGWYRTHLINHQ-RYUDHWBXSA-N 2 0 241.379 1.217 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC001217934155 971535364 /nfs/dbraw/zinc/53/53/64/971535364.db2.gz SWOFKYGZHCFBPR-MGPQQGTHSA-N 2 0 238.375 1.699 20 30 BDEDRP N#Cc1ncc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898170 972053786 /nfs/dbraw/zinc/05/37/86/972053786.db2.gz BWPDFZMXGBFVEE-JTQLQIEISA-N 2 0 239.710 1.042 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345160367 957167113 /nfs/dbraw/zinc/16/71/13/957167113.db2.gz UYDASNOVJFUZPI-KBPBESRZSA-N 2 0 238.375 1.653 20 30 BDEDRP CC(C)C[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000303776992 963081261 /nfs/dbraw/zinc/08/12/61/963081261.db2.gz IGHPODGIPBSTGS-LLVKDONJSA-N 2 0 242.411 1.666 20 30 BDEDRP N#Cc1c(Cl)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159784063 964195359 /nfs/dbraw/zinc/19/53/59/964195359.db2.gz GTMILOZGFUFLKM-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C[NH+](C)C1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001168315729 964419484 /nfs/dbraw/zinc/41/94/84/964419484.db2.gz MDDQISKRVZFTSY-UHFFFAOYSA-N 2 0 221.348 1.705 20 30 BDEDRP C#Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205110467 967361652 /nfs/dbraw/zinc/36/16/52/967361652.db2.gz SUGUWPFBHADVHO-OAHLLOKOSA-N 2 0 228.339 1.981 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205984625 967933039 /nfs/dbraw/zinc/93/30/39/967933039.db2.gz SPSVSIIRVWETNP-OLZOCXBDSA-N 2 0 225.380 1.069 20 30 BDEDRP C=CC[NH2+]CCN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541906 968365582 /nfs/dbraw/zinc/36/55/82/968365582.db2.gz NCULYKHBISNHST-ZDUSSCGKSA-N 2 0 225.380 1.213 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001252604187 968862269 /nfs/dbraw/zinc/86/22/69/968862269.db2.gz OPCCEGZQSGCZGH-IHRRRGAJSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001252614808 968871885 /nfs/dbraw/zinc/87/18/85/968871885.db2.gz PAUQPISCNKQNMC-CQSZACIVSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001253600878 969293336 /nfs/dbraw/zinc/29/33/36/969293336.db2.gz GYDAJYJROKDKLH-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001253606636 969306151 /nfs/dbraw/zinc/30/61/51/969306151.db2.gz LJEITSHENVGEDY-ZDUSSCGKSA-N 2 0 240.391 1.633 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001254641767 969756185 /nfs/dbraw/zinc/75/61/85/969756185.db2.gz ASMZWPTURXGYBK-OLZOCXBDSA-N 2 0 233.359 1.754 20 30 BDEDRP C=CC(NCC12CC[NH+](CC1)CC2)=[NH+]COC ZINC001169794430 969861194 /nfs/dbraw/zinc/86/11/94/969861194.db2.gz MZGLBOHPQWXRIZ-UHFFFAOYSA-N 2 0 237.347 1.250 20 30 BDEDRP CC[C@H](CC#N)N(CC[NH3+])CC[NH+](CC)CC ZINC001255155815 969954693 /nfs/dbraw/zinc/95/46/93/969954693.db2.gz USZIBMDRXCHJHT-CYBMUJFWSA-N 2 0 240.395 1.281 20 30 BDEDRP CC[C@H](CC#N)N(CC[NH+](C)C)CC[NH+](C)C ZINC001255172355 969986234 /nfs/dbraw/zinc/98/62/34/969986234.db2.gz NUQCHRUKCPGIIQ-CYBMUJFWSA-N 2 0 240.395 1.104 20 30 BDEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001255470864 970199815 /nfs/dbraw/zinc/19/98/15/970199815.db2.gz UDSOSSUXAHJXNM-SNVBAGLBSA-N 2 0 236.294 1.020 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001327416176 972569910 /nfs/dbraw/zinc/56/99/10/972569910.db2.gz PNEWPCNZYKDSBO-HZSPNIEDSA-N 2 0 238.375 1.651 20 30 BDEDRP C=C(C)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570750 973858808 /nfs/dbraw/zinc/85/88/08/973858808.db2.gz KVYFLWPMOXJWJR-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171726068 974141582 /nfs/dbraw/zinc/14/15/82/974141582.db2.gz VHKNJHHMDQKQBC-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(C#N)C1)C2 ZINC001172111609 974376393 /nfs/dbraw/zinc/37/63/93/974376393.db2.gz VTSWQBYWOWPGGR-UMHABRDISA-N 2 0 233.359 1.893 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300572 974514727 /nfs/dbraw/zinc/51/47/27/974514727.db2.gz XDVAYZJDAOFZQZ-NEPJUHHUSA-N 2 0 231.343 1.674 20 30 BDEDRP C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC001332009523 974918980 /nfs/dbraw/zinc/91/89/80/974918980.db2.gz HIMKEIPRUVVVNU-GRYCIOLGSA-N 2 0 209.337 1.608 20 30 BDEDRP C=CCOC1CCC([NH2+]CCCC[NH3+])CC1 ZINC001173313440 975223471 /nfs/dbraw/zinc/22/34/71/975223471.db2.gz XFHZAVJXLJBREB-UHFFFAOYSA-N 2 0 226.364 1.829 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000691570680 977159483 /nfs/dbraw/zinc/15/94/83/977159483.db2.gz BFWHEZLTHAGPFO-ZDUSSCGKSA-N 2 0 221.348 1.564 20 30 BDEDRP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC001336753192 977911238 /nfs/dbraw/zinc/91/12/38/977911238.db2.gz CVXXMEJVAOKBEC-NWDGAFQWSA-N 2 0 241.379 1.074 20 30 BDEDRP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC001336753190 977913040 /nfs/dbraw/zinc/91/30/40/977913040.db2.gz CVXXMEJVAOKBEC-NEPJUHHUSA-N 2 0 241.379 1.074 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041435 978958127 /nfs/dbraw/zinc/95/81/27/978958127.db2.gz QEAZXHDDLVOFBF-AWEZNQCLSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001340512769 979031622 /nfs/dbraw/zinc/03/16/22/979031622.db2.gz GCHGEVQTACOJDM-GRYCIOLGSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CCCCCCCCN(CC[NH3+])CC[NH3+] ZINC001235875310 979178742 /nfs/dbraw/zinc/17/87/42/979178742.db2.gz DTBNREYEZDOYCR-UHFFFAOYSA-N 2 0 227.396 1.732 20 30 BDEDRP N#Cc1cc[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321699 979531653 /nfs/dbraw/zinc/53/16/53/979531653.db2.gz LHAIWGDKLDIYGX-BETUJISGSA-N 2 0 244.342 1.318 20 30 BDEDRP C=CC[NH2+]CCN(CC[NH3+])Cc1ccccc1 ZINC001236521433 979615854 /nfs/dbraw/zinc/61/58/54/979615854.db2.gz AWUNBBYQZVFMCQ-UHFFFAOYSA-N 2 0 233.359 1.223 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC001342107632 979661332 /nfs/dbraw/zinc/66/13/32/979661332.db2.gz NIFHRQBEEOJSKN-VXGBXAGGSA-N 2 0 241.379 1.126 20 30 BDEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC001346179120 980776986 /nfs/dbraw/zinc/77/69/86/980776986.db2.gz HBUYZKHLLHRCGB-HNNXBMFYSA-N 2 0 248.370 1.645 20 30 BDEDRP C#CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC001350366015 981941124 /nfs/dbraw/zinc/94/11/24/981941124.db2.gz VXVZRXVKCXQOMD-CQSZACIVSA-N 2 0 238.375 1.033 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001579459518 985955435 /nfs/dbraw/zinc/95/54/35/985955435.db2.gz FUCRQQGROWYPFH-NOOOWODRSA-N 2 0 207.321 1.124 20 30 BDEDRP C=CCC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001258726364 986067544 /nfs/dbraw/zinc/06/75/44/986067544.db2.gz TVJNQSPJSXVQRQ-CQSZACIVSA-N 2 0 239.407 1.520 20 30 BDEDRP C=CCC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001258726360 986067916 /nfs/dbraw/zinc/06/79/16/986067916.db2.gz TVJNQSPJSXVQRQ-AWEZNQCLSA-N 2 0 239.407 1.520 20 30 BDEDRP N#Cc1ccnc(C[NH+]2CCC3(C[NH2+]C3)CC2)c1 ZINC001580080913 986522512 /nfs/dbraw/zinc/52/25/12/986522512.db2.gz LGABNIOMLQITMX-UHFFFAOYSA-N 2 0 242.326 1.139 20 30 BDEDRP N#Cc1ccnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC001580080860 986523806 /nfs/dbraw/zinc/52/38/06/986523806.db2.gz JETNSDAPELCEJI-LLVKDONJSA-N 2 0 230.315 1.124 20 30 BDEDRP C=C[C@@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246030912 987331252 /nfs/dbraw/zinc/33/12/52/987331252.db2.gz FSPCFWUVFUYEOV-KGLIPLIRSA-N 2 0 238.375 1.387 20 30 BDEDRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001246116782 987461108 /nfs/dbraw/zinc/46/11/08/987461108.db2.gz WWOQSYBYQPSEFG-AHPWVWPOSA-N 2 0 235.375 1.904 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC001246216870 987614809 /nfs/dbraw/zinc/61/48/09/987614809.db2.gz RRSIYYNOHNOHFN-SRVKXCTJSA-N 2 0 207.321 1.268 20 30 BDEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246262141 987656202 /nfs/dbraw/zinc/65/62/02/987656202.db2.gz AFEWDURHAHWNPN-IUODEOHRSA-N 2 0 228.339 1.898 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246303303 987702203 /nfs/dbraw/zinc/70/22/03/987702203.db2.gz GOPNQWVPQRGKRI-RYUDHWBXSA-N 2 0 231.343 1.816 20 30 BDEDRP C=CCOC1CCC([NH2+]C[C@@H]([NH3+])CC)CC1 ZINC001246315732 987718886 /nfs/dbraw/zinc/71/88/86/987718886.db2.gz VUOBPZHMAZIKJD-HIFPTAJRSA-N 2 0 226.364 1.827 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCNC1 ZINC001246357205 987762984 /nfs/dbraw/zinc/76/29/84/987762984.db2.gz KRHQPTKKMILUAC-SWLSCSKDSA-N 2 0 243.354 1.831 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001474681770 987797592 /nfs/dbraw/zinc/79/75/92/987797592.db2.gz NFIDJNBPSKLVQK-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP N#CC1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246627539 988296554 /nfs/dbraw/zinc/29/65/54/988296554.db2.gz MPKZRFCYBZORIR-UHFFFAOYSA-N 2 0 239.338 1.832 20 30 BDEDRP N#CC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246636193 988331017 /nfs/dbraw/zinc/33/10/17/988331017.db2.gz FJCHOULXYFAHHQ-FIYWTHMPSA-N 2 0 219.332 1.505 20 30 BDEDRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CC[NH2+]1 ZINC001246796687 988466438 /nfs/dbraw/zinc/46/64/38/988466438.db2.gz KCVDKUJFUMGBAW-FRRDWIJNSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859594 988586395 /nfs/dbraw/zinc/58/63/95/988586395.db2.gz LUAUMTCIJFARMC-ACJTYDJDSA-N 2 0 224.348 1.247 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540115 989736756 /nfs/dbraw/zinc/73/67/56/989736756.db2.gz BYQLNUBLEKRXLN-RYUDHWBXSA-N 2 0 241.379 1.304 20 30 BDEDRP C=C[C@@H](CO)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258902608 991894679 /nfs/dbraw/zinc/89/46/79/991894679.db2.gz XPLIJYJNOSNDJV-STQMWFEESA-N 2 0 228.380 1.633 20 30 BDEDRP C#CC(C)(C)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC001574458451 992863722 /nfs/dbraw/zinc/86/37/22/992863722.db2.gz RFLLYYZLEXFEPY-LBPRGKRZSA-N 2 0 208.349 1.720 20 30 BDEDRP C#C[C@@H]([NH2+]Cc1c(C[NH3+])cnn1C)C(C)(C)C ZINC001574503567 992871180 /nfs/dbraw/zinc/87/11/80/992871180.db2.gz BHDMDLSDRIGUGW-GFCCVEGCSA-N 2 0 234.347 1.016 20 30 BDEDRP C#CCOCC[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574735235 992897078 /nfs/dbraw/zinc/89/70/78/992897078.db2.gz CZFBJAPYSSZQFX-KGLIPLIRSA-N 2 0 236.359 1.087 20 30 BDEDRP C=C(C)[C@H](CO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001574830765 992925046 /nfs/dbraw/zinc/92/50/46/992925046.db2.gz KOBPRFYYFILFKB-MROQNXINSA-N 2 0 238.375 1.290 20 30 BDEDRP C=CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574888561 992936279 /nfs/dbraw/zinc/93/62/79/992936279.db2.gz GNIPUXVQMPDBBS-LBPRGKRZSA-N 2 0 249.358 1.743 20 30 BDEDRP CC(C)(CC#N)C[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001575297509 993005707 /nfs/dbraw/zinc/00/57/07/993005707.db2.gz DJMXDCILAJJWAA-YZRBJQDESA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404542929 398203237 /nfs/dbraw/zinc/20/32/37/398203237.db2.gz HXJOYLYYOQVCPR-JTQLQIEISA-N 2 0 235.306 1.914 20 30 BDEDRP CC1([NH2+]Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC000335538887 398206357 /nfs/dbraw/zinc/20/63/57/398206357.db2.gz OOZNCMVGPFNWKI-UHFFFAOYSA-N 2 0 229.327 1.790 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000335281454 343997787 /nfs/dbraw/zinc/99/77/87/343997787.db2.gz QHZGNWNXCOMWRQ-ZIAGYGMSSA-N 2 0 229.327 1.918 20 30 BDEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602477222 349564202 /nfs/dbraw/zinc/56/42/02/349564202.db2.gz ZHSJRWUQKUNDQW-STQMWFEESA-N 2 0 223.364 1.810 20 30 BDEDRP CC(C)N(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602525689 349577565 /nfs/dbraw/zinc/57/75/65/349577565.db2.gz HLFTYFQGUFTSDR-GFCCVEGCSA-N 2 0 211.353 1.856 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](C)CC1 ZINC000602546868 349590291 /nfs/dbraw/zinc/59/02/91/349590291.db2.gz YTTUCVQMSUMTFB-GFCCVEGCSA-N 2 0 223.364 1.858 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000231930171 342761177 /nfs/dbraw/zinc/76/11/77/342761177.db2.gz GGSHPGMQAUXBMG-MNOVXSKESA-N 2 0 214.378 1.765 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158009118 398340791 /nfs/dbraw/zinc/34/07/91/398340791.db2.gz GHRPZACNHXDBBU-QWHCGFSZSA-N 2 0 221.348 1.897 20 30 BDEDRP C=CCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398160486 343073088 /nfs/dbraw/zinc/07/30/88/343073088.db2.gz IAIDSMMDNOKKCK-KGLIPLIRSA-N 2 0 240.391 1.778 20 30 BDEDRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000600712888 344361676 /nfs/dbraw/zinc/36/16/76/344361676.db2.gz CFFCAVMDKIECCG-WHOHXGKFSA-N 2 0 207.321 1.409 20 30 BDEDRP CC#CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158743057 345369313 /nfs/dbraw/zinc/36/93/13/345369313.db2.gz RJFFRSQSJKTLRN-CHWSQXEVSA-N 2 0 206.333 1.426 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309521022 347092329 /nfs/dbraw/zinc/09/23/29/347092329.db2.gz ANFLLXLCEVTVKR-AGIUHOORSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309818094 347174946 /nfs/dbraw/zinc/17/49/46/347174946.db2.gz VSMRCPBWBJDGQT-AVGNSLFASA-N 2 0 226.364 1.243 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000591578228 347677394 /nfs/dbraw/zinc/67/73/94/347677394.db2.gz BVPUSEHKMVKBTR-UPJWGTAASA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@@H]1CCN(Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495885 347788433 /nfs/dbraw/zinc/78/84/33/347788433.db2.gz UXSJIARWVRSZSE-RISCZKNCSA-N 2 0 244.342 1.370 20 30 BDEDRP C[C@H]1[C@@H]([NH3+])CCN1CCc1ccc(C#N)cc1 ZINC000595894260 348390930 /nfs/dbraw/zinc/39/09/30/348390930.db2.gz WIERQVKKZKLMCA-FZMZJTMJSA-N 2 0 229.327 1.522 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596647770 348604232 /nfs/dbraw/zinc/60/42/32/348604232.db2.gz BFQJONDLTIIQFN-VXGBXAGGSA-N 2 0 221.348 1.930 20 30 BDEDRP C=CCCSCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000596650625 348605831 /nfs/dbraw/zinc/60/58/31/348605831.db2.gz MBLQHBCKZSRDKB-QWRGUYRKSA-N 2 0 214.378 1.765 20 30 BDEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000596652398 348606758 /nfs/dbraw/zinc/60/67/58/348606758.db2.gz TYWKKDCHDACZEJ-NSHDSACASA-N 2 0 229.327 1.298 20 30 BDEDRP CC#CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365405595 350268711 /nfs/dbraw/zinc/26/87/11/350268711.db2.gz SUKCBPCLFAKFFI-ZDUSSCGKSA-N 2 0 208.349 1.816 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423138142 192583182 /nfs/dbraw/zinc/58/31/82/192583182.db2.gz SGEKDYIGSKJOHT-RWMBFGLXSA-N 2 0 240.391 1.931 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000168603875 134231851 /nfs/dbraw/zinc/23/18/51/134231851.db2.gz IAFMTPPPTKVKTH-OLZOCXBDSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132783190 358736175 /nfs/dbraw/zinc/73/61/75/358736175.db2.gz VMWPFNWNYUWDEY-UHFFFAOYSA-N 2 0 238.375 1.607 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578643292 366618347 /nfs/dbraw/zinc/61/83/47/366618347.db2.gz UCGLCQNVXNHGQB-LOWDOPEQSA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398803 361049346 /nfs/dbraw/zinc/04/93/46/361049346.db2.gz HUSZNRALJULENV-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@@H](CCC[NH3+])COC ZINC000629510385 361109015 /nfs/dbraw/zinc/10/90/15/361109015.db2.gz RUAHULQKJAGHDX-LBPRGKRZSA-N 2 0 228.380 1.932 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429680654 201127054 /nfs/dbraw/zinc/12/70/54/201127054.db2.gz IRCZAASWMDXNBE-HZSPNIEDSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550534 361443141 /nfs/dbraw/zinc/44/31/41/361443141.db2.gz OCGIDDPTWVDVIC-STQMWFEESA-N 2 0 236.359 1.405 20 30 BDEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000405241551 369448992 /nfs/dbraw/zinc/44/89/92/369448992.db2.gz BKHOFGZWUQGMPA-STQMWFEESA-N 2 0 229.327 1.774 20 30 BDEDRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1C#N ZINC000600700919 369559282 /nfs/dbraw/zinc/55/92/82/369559282.db2.gz FRIPWJLSXUGEAS-CYBMUJFWSA-N 2 0 229.327 1.647 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(C#N)o1 ZINC000600769578 369563666 /nfs/dbraw/zinc/56/36/66/369563666.db2.gz OVMBNPXYDAHVQC-SKDRFNHKSA-N 2 0 219.288 1.239 20 30 BDEDRP C[C@@H]1CN(Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769687 369564436 /nfs/dbraw/zinc/56/44/36/369564436.db2.gz YBGUUKAQQNUNST-BXKDBHETSA-N 2 0 219.288 1.320 20 30 BDEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251698025 369897012 /nfs/dbraw/zinc/89/70/12/369897012.db2.gz MWRDUAWHYGLODF-UGFHNGPFSA-N 2 0 241.338 1.770 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000424381870 206040192 /nfs/dbraw/zinc/04/01/92/206040192.db2.gz RMBVCTXDNJADIH-RQJABVFESA-N 2 0 238.375 1.555 20 30 BDEDRP C#CC[NH+](C)CCC(C)CC[N@H+](C)CC#C ZINC000298499811 383903200 /nfs/dbraw/zinc/90/32/00/383903200.db2.gz KBDNPABVXGRAFX-UHFFFAOYSA-N 2 0 220.360 1.533 20 30 BDEDRP N#CCC[C@H](C#N)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569568924 384258213 /nfs/dbraw/zinc/25/82/13/384258213.db2.gz SLSDOFFSRIOMHL-MCIONIFRSA-N 2 0 246.358 1.646 20 30 BDEDRP N#CCC[C@H](C#N)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569568925 384258343 /nfs/dbraw/zinc/25/83/43/384258343.db2.gz SLSDOFFSRIOMHL-MGPQQGTHSA-N 2 0 246.358 1.646 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090450826 384821497 /nfs/dbraw/zinc/82/14/97/384821497.db2.gz FPEYFCWGWXUOCT-ZIAGYGMSSA-N 2 0 238.375 1.796 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[NH+](CC)CC ZINC000104167153 384807001 /nfs/dbraw/zinc/80/70/01/384807001.db2.gz UKEIDRCMHNHRRA-NSHDSACASA-N 2 0 226.368 1.197 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309973704 384975586 /nfs/dbraw/zinc/97/55/86/384975586.db2.gz REBCERXJECLDBG-CHWSQXEVSA-N 2 0 219.332 1.530 20 30 BDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414169154 386015839 /nfs/dbraw/zinc/01/58/39/386015839.db2.gz ROGSOVNGSJSGSC-NEPJUHHUSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783574 386505966 /nfs/dbraw/zinc/50/59/66/386505966.db2.gz QUYFLHFWFIOPGH-CYBMUJFWSA-N 2 0 225.380 1.226 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396795 387232795 /nfs/dbraw/zinc/23/27/95/387232795.db2.gz SOROLLRWFRYARA-MROQNXINSA-N 2 0 221.348 1.928 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423408991 387246193 /nfs/dbraw/zinc/24/61/93/387246193.db2.gz YGRWHPJWWHOTNR-XQHKEYJVSA-N 2 0 221.348 1.656 20 30 BDEDRP C=CCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428659 387254323 /nfs/dbraw/zinc/25/43/23/387254323.db2.gz KOQZLTLHEGWECY-NDBYEHHHSA-N 2 0 208.349 1.929 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423522756 387353341 /nfs/dbraw/zinc/35/33/41/387353341.db2.gz YDKLKMDLBPWUBS-FVCCEPFGSA-N 2 0 221.348 1.786 20 30 BDEDRP C=CCN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422859462 387744341 /nfs/dbraw/zinc/74/43/41/387744341.db2.gz KFCNRRIWQCCNSK-CYBMUJFWSA-N 2 0 239.407 1.744 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983488 387794280 /nfs/dbraw/zinc/79/42/80/387794280.db2.gz ZRPVBJJKPPROGP-QWHCGFSZSA-N 2 0 239.407 1.742 20 30 BDEDRP N#CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309471868 387803979 /nfs/dbraw/zinc/80/39/79/387803979.db2.gz ATQNGPWIXXCZRJ-UHFFFAOYSA-N 2 0 221.348 1.754 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423012698 387837173 /nfs/dbraw/zinc/83/71/73/387837173.db2.gz DOTDPDDZMYJNIU-AVGNSLFASA-N 2 0 226.364 1.421 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423016139 387839024 /nfs/dbraw/zinc/83/90/24/387839024.db2.gz LYPSGHUXNBDQIO-AVGNSLFASA-N 2 0 226.364 1.278 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423131127 387907549 /nfs/dbraw/zinc/90/75/49/387907549.db2.gz ZGELFEWDYIJRAZ-UPJWGTAASA-N 2 0 226.364 1.434 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000424368995 387994323 /nfs/dbraw/zinc/99/43/23/387994323.db2.gz BXFKKPQCBHWZJP-AVGNSLFASA-N 2 0 226.364 1.685 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000424387413 388001607 /nfs/dbraw/zinc/00/16/07/388001607.db2.gz YPPJMRPHBUJYAR-USZNOCQGSA-N 2 0 210.321 1.047 20 30 BDEDRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424373346 387996539 /nfs/dbraw/zinc/99/65/39/387996539.db2.gz XRAAHQNISVQELT-ZDEQEGDKSA-N 2 0 221.348 1.799 20 30 BDEDRP C=C(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105957 388144110 /nfs/dbraw/zinc/14/41/10/388144110.db2.gz NJZOTMXEXFXDJW-UHFFFAOYSA-N 2 0 238.375 1.749 20 30 BDEDRP C#CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000490780853 388254518 /nfs/dbraw/zinc/25/45/18/388254518.db2.gz SDOAUZQPUPHKFM-CYBMUJFWSA-N 2 0 206.333 1.283 20 30 BDEDRP C#CC[N@H+](CC)CCCc1cncn1C ZINC000491625915 388305708 /nfs/dbraw/zinc/30/57/08/388305708.db2.gz RZYNHBDQKNUSPN-UHFFFAOYSA-N 2 0 205.305 1.308 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C(C)C)C1CC1 ZINC000393483345 388431531 /nfs/dbraw/zinc/43/15/31/388431531.db2.gz LJZLUXXJNVZFIX-CQSZACIVSA-N 2 0 222.376 1.966 20 30 BDEDRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1C#N ZINC000415025744 388666877 /nfs/dbraw/zinc/66/68/77/388666877.db2.gz RMYKFXSOANRQFR-LLVKDONJSA-N 2 0 247.342 1.784 20 30 BDEDRP C[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)C[NH3+] ZINC000093872926 388746989 /nfs/dbraw/zinc/74/69/89/388746989.db2.gz SZOKBXMVZACCQR-UHFFFAOYSA-N 2 0 231.343 1.975 20 30 BDEDRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)cc1 ZINC000423321708 388691888 /nfs/dbraw/zinc/69/18/88/388691888.db2.gz NODVHFFNNGVOMJ-CQSZACIVSA-N 2 0 229.327 1.818 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172495149 974845920 /nfs/dbraw/zinc/84/59/20/974845920.db2.gz NEFJFUHJAZWLAA-MCIONIFRSA-N 2 0 235.375 1.952 20 30 BDEDRP C=C(C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371296066 134228255 /nfs/dbraw/zinc/22/82/55/134228255.db2.gz WSBHFBKCXDHXCH-MELADBBJSA-N 2 0 238.375 1.746 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000264324777 135137991 /nfs/dbraw/zinc/13/79/91/135137991.db2.gz YMIXBFKNAMQLLG-NSHDSACASA-N 2 0 226.368 1.197 20 30 BDEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCCC[C@H]1C ZINC000262625768 135309802 /nfs/dbraw/zinc/30/98/02/135309802.db2.gz DJXXRDHKSLSYAU-IJLUTSLNSA-N 2 0 238.379 1.187 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000263036228 135328538 /nfs/dbraw/zinc/32/85/38/135328538.db2.gz BVGPUHJSCZKFQG-UHFFFAOYSA-N 2 0 238.379 1.341 20 30 BDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC1 ZINC000263061326 135329508 /nfs/dbraw/zinc/32/95/08/135329508.db2.gz FPJODKODKHUTDF-LBPRGKRZSA-N 2 0 236.363 1.024 20 30 BDEDRP CN(C)C(=[NH+]Cc1ccc2c[nH+]cn2c1)N(C)C ZINC000263214160 135340471 /nfs/dbraw/zinc/34/04/71/135340471.db2.gz ZNZGHZAZAKIRGE-UHFFFAOYSA-N 2 0 245.330 1.314 20 30 BDEDRP C=CCOCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000348035500 136028359 /nfs/dbraw/zinc/02/83/59/136028359.db2.gz OVSTWEURLDGKMX-CQSZACIVSA-N 2 0 240.391 1.853 20 30 BDEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727490 398039581 /nfs/dbraw/zinc/03/95/81/398039581.db2.gz FHFXSBJWWHXPFH-DOMZBBRYSA-N 2 0 243.354 1.792 20 30 BDEDRP C=CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253739 409550738 /nfs/dbraw/zinc/55/07/38/409550738.db2.gz CBIXQJGPDNQFSU-CYBMUJFWSA-N 2 0 236.359 1.405 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000665263013 410736247 /nfs/dbraw/zinc/73/62/47/410736247.db2.gz DRIGJIOEQTYURA-NEPJUHHUSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000665262879 410737121 /nfs/dbraw/zinc/73/71/21/410737121.db2.gz AVMOFENJFPCQLK-CHWSQXEVSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660402504 411580245 /nfs/dbraw/zinc/58/02/45/411580245.db2.gz UZFJWCXMOVVWJO-GFCCVEGCSA-N 2 0 214.353 1.195 20 30 BDEDRP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000661380173 411763182 /nfs/dbraw/zinc/76/31/82/411763182.db2.gz BSHIWLWFFATOPY-KGLIPLIRSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254263 412049150 /nfs/dbraw/zinc/04/91/50/412049150.db2.gz GNFVERNUFDUWCX-GFCCVEGCSA-N 2 0 224.348 1.405 20 30 BDEDRP CC#CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323247 412099661 /nfs/dbraw/zinc/09/96/61/412099661.db2.gz NBPSWTWWXLNGII-CQSZACIVSA-N 2 0 238.375 1.442 20 30 BDEDRP C=C(CC)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325296 412102500 /nfs/dbraw/zinc/10/25/00/412102500.db2.gz LCIHGRLMJHJHEV-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000320598957 323182312 /nfs/dbraw/zinc/18/23/12/323182312.db2.gz DACPASXHWPCRKR-VXGBXAGGSA-N 2 0 214.353 1.421 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341882369 534400845 /nfs/dbraw/zinc/40/08/45/534400845.db2.gz HBGCUVHNWZUFKZ-BFHYXJOUSA-N 2 0 238.375 1.387 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262534346 535476436 /nfs/dbraw/zinc/47/64/36/535476436.db2.gz PCOYJCIZNJMBLG-GFCCVEGCSA-N 2 0 240.395 1.340 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC1(C)C ZINC000261965200 535549101 /nfs/dbraw/zinc/54/91/01/535549101.db2.gz AXPYALNMDPMAFM-MNOVXSKESA-N 2 0 238.379 1.174 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000104152751 583106926 /nfs/dbraw/zinc/10/69/26/583106926.db2.gz VNVYNHROUKFNMQ-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293651 583639869 /nfs/dbraw/zinc/63/98/69/583639869.db2.gz IWBSSOXGGCCHIQ-VXGBXAGGSA-N 2 0 211.353 1.856 20 30 BDEDRP C#CCN1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000896043930 583766755 /nfs/dbraw/zinc/76/67/55/583766755.db2.gz UAAPEVZBZKCERJ-OAHLLOKOSA-N 2 0 249.402 1.015 20 30 BDEDRP C#CCN1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000896043928 583766782 /nfs/dbraw/zinc/76/67/82/583766782.db2.gz UAAPEVZBZKCERJ-HNNXBMFYSA-N 2 0 249.402 1.015 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902484180 584624758 /nfs/dbraw/zinc/62/47/58/584624758.db2.gz FFRLVBPHDAKMBE-WISYIIOYSA-N 2 0 207.321 1.396 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CC2 ZINC000902485469 584625190 /nfs/dbraw/zinc/62/51/90/584625190.db2.gz KVKNXMGHWTVDNO-UXIGCNINSA-N 2 0 241.338 1.872 20 30 BDEDRP C=CCCC[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000903850659 584808143 /nfs/dbraw/zinc/80/81/43/584808143.db2.gz WUPLGTAGDHFFNT-UHFFFAOYSA-N 2 0 225.380 1.180 20 30 BDEDRP C#CCOc1ccc([C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000817971903 584993998 /nfs/dbraw/zinc/99/39/98/584993998.db2.gz RAKZSOAUZCUZSM-NEPJUHHUSA-N 2 0 232.327 1.696 20 30 BDEDRP NC(=[NH2+])N=NC1CCCC[C@H]1[NH+]1CCCCC1 ZINC000748778384 585196001 /nfs/dbraw/zinc/19/60/01/585196001.db2.gz JCRFLTXMVBBHEQ-LLVKDONJSA-N 2 0 237.351 1.254 20 30 BDEDRP C#CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000760861093 585400333 /nfs/dbraw/zinc/40/03/33/585400333.db2.gz APBUKRJRIMDYLK-OLZOCXBDSA-N 2 0 208.349 1.672 20 30 BDEDRP C#Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000809595114 586508617 /nfs/dbraw/zinc/50/86/17/586508617.db2.gz FCHRNNKXYPLTPB-HUUCEWRRSA-N 2 0 226.323 1.319 20 30 BDEDRP C#C[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000809683771 586512223 /nfs/dbraw/zinc/51/22/23/586512223.db2.gz ONEXWBVXXNJFGJ-ZDUSSCGKSA-N 2 0 246.354 1.738 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCCCCCC[NH+](C)C)N1 ZINC000848998329 588429869 /nfs/dbraw/zinc/42/98/69/588429869.db2.gz WAGDQIVYKDDQFP-GFCCVEGCSA-N 2 0 240.395 1.436 20 30 BDEDRP C=C(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849035938 588445017 /nfs/dbraw/zinc/44/50/17/588445017.db2.gz IWBMFDRRWDEXOO-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP CCNC(NCC[N@@H+]1CCCC1(C)C)=[NH+]CC ZINC000849039378 588446887 /nfs/dbraw/zinc/44/68/87/588446887.db2.gz URSRKYIEOMOFGV-UHFFFAOYSA-N 2 0 240.395 1.436 20 30 BDEDRP C=C(Cl)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000852746305 588699178 /nfs/dbraw/zinc/69/91/78/588699178.db2.gz HTHDSIQOTGBFFM-UHFFFAOYSA-N 2 0 214.740 1.814 20 30 BDEDRP C#CCSCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000121080146 589493483 /nfs/dbraw/zinc/49/34/83/589493483.db2.gz YASSXSSIBUISGM-UHFFFAOYSA-N 2 0 240.416 1.817 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000866585721 589501543 /nfs/dbraw/zinc/50/15/43/589501543.db2.gz SVOJRYFLNBOPDO-AAVRWANBSA-N 2 0 233.359 1.705 20 30 BDEDRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000873253082 590009155 /nfs/dbraw/zinc/00/91/55/590009155.db2.gz ZBJHIWDPCMILEW-VHRBIJSZSA-N 2 0 229.327 1.946 20 30 BDEDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000873258257 590013004 /nfs/dbraw/zinc/01/30/04/590013004.db2.gz ZBJHIWDPCMILEW-JKOKRWQUSA-N 2 0 229.327 1.946 20 30 BDEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])C2 ZINC000873274407 590016852 /nfs/dbraw/zinc/01/68/52/590016852.db2.gz DBZVNWLMVUJHRT-RBSFLKMASA-N 2 0 241.338 1.495 20 30 BDEDRP CC#CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883156499 591548322 /nfs/dbraw/zinc/54/83/22/591548322.db2.gz PUYDWMXYEABMPH-STQMWFEESA-N 2 0 238.375 1.223 20 30 BDEDRP CC[C@H](CNC(=[NH2+])N(CC)CC)[NH+]1CCCC1 ZINC000104166839 592602702 /nfs/dbraw/zinc/60/27/02/592602702.db2.gz YXGLVOBEZRFQAY-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925708997 634405731 /nfs/dbraw/zinc/40/57/31/634405731.db2.gz MWCMTXZQVPGABT-CYBMUJFWSA-N 2 0 238.375 1.843 20 30 BDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])NC ZINC000303388050 636308114 /nfs/dbraw/zinc/30/81/14/636308114.db2.gz BREYDLJMBCFBBP-UHFFFAOYSA-N 2 0 214.357 1.033 20 30 BDEDRP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000321071109 636556214 /nfs/dbraw/zinc/55/62/14/636556214.db2.gz ZVOLRYHFNSZVPS-RLAWYHOSSA-N 2 0 238.375 1.528 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911834525 639845276 /nfs/dbraw/zinc/84/52/76/639845276.db2.gz VPQDBZNZNVDRNU-WCQYABFASA-N 2 0 241.379 1.160 20 30 BDEDRP C=C(CC)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737612 640760343 /nfs/dbraw/zinc/76/03/43/640760343.db2.gz SFHCLEIMCCUPCK-QWHCGFSZSA-N 2 0 208.349 1.836 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933739181 640760820 /nfs/dbraw/zinc/76/08/20/640760820.db2.gz DTEACGPCUWMAGH-RDBSUJKOSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000231800438 641205617 /nfs/dbraw/zinc/20/56/17/641205617.db2.gz LHWWSKPEXIXEHD-CHWSQXEVSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000923280821 644315480 /nfs/dbraw/zinc/31/54/80/644315480.db2.gz JOFLOJAXOLLJKV-RWMBFGLXSA-N 2 0 226.364 1.515 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000194684760 644340604 /nfs/dbraw/zinc/34/06/04/644340604.db2.gz OYEZAPLSKHSPCI-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NC1CCCC1 ZINC000081781388 644346203 /nfs/dbraw/zinc/34/62/03/644346203.db2.gz CCXZWCKBIJSQLE-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923331381 644351002 /nfs/dbraw/zinc/35/10/02/644351002.db2.gz GGGGXWKDXTVQFF-XUXIUFHCSA-N 2 0 238.375 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923326166 644351468 /nfs/dbraw/zinc/35/14/68/644351468.db2.gz FSRZEJMYYPBQDJ-ZDUSSCGKSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923375837 644388144 /nfs/dbraw/zinc/38/81/44/644388144.db2.gz GQBUYMBCJGXRTD-LBPRGKRZSA-N 2 0 222.332 1.015 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246205701 644572512 /nfs/dbraw/zinc/57/25/12/644572512.db2.gz DXQCNYYSGKQVIR-OLZOCXBDSA-N 2 0 206.333 1.616 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303257861 644812922 /nfs/dbraw/zinc/81/29/22/644812922.db2.gz JWMASVMAZBEZOL-QWRGUYRKSA-N 2 0 238.379 1.174 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303385367 644819526 /nfs/dbraw/zinc/81/95/26/644819526.db2.gz VNAHSAPNOVPSJG-RYUDHWBXSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303384262 644820909 /nfs/dbraw/zinc/82/09/09/644820909.db2.gz UVHWBIMBNSTMKZ-SNVBAGLBSA-N 2 0 228.384 1.277 20 30 BDEDRP CCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303781533 644847044 /nfs/dbraw/zinc/84/70/44/644847044.db2.gz MJEOYFUQMMBPFC-UHFFFAOYSA-N 2 0 226.368 1.175 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303876315 644852209 /nfs/dbraw/zinc/85/22/09/644852209.db2.gz DWKCUHHTYWPBCE-NWDGAFQWSA-N 2 0 240.395 1.420 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303876829 644852501 /nfs/dbraw/zinc/85/25/01/644852501.db2.gz FBBTYRSNFKWITR-NSHDSACASA-N 2 0 238.379 1.127 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC(C)(C)C ZINC000303879479 644853306 /nfs/dbraw/zinc/85/33/06/644853306.db2.gz GOFDTKHXQWMXHW-SNVBAGLBSA-N 2 0 228.384 1.420 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303988942 644862899 /nfs/dbraw/zinc/86/28/99/644862899.db2.gz XACGSSDLFAKGMN-SNVBAGLBSA-N 2 0 226.368 1.174 20 30 BDEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000304754419 644930596 /nfs/dbraw/zinc/93/05/96/644930596.db2.gz LWJSVCFKTPXJIR-GFCCVEGCSA-N 2 0 238.379 1.129 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925550355 646327172 /nfs/dbraw/zinc/32/71/72/646327172.db2.gz RGMCHZINELQKLY-UONOGXRCSA-N 2 0 249.402 1.496 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925609270 646358354 /nfs/dbraw/zinc/35/83/54/646358354.db2.gz ROSQEGUDKUPTOC-WDEREUQCSA-N 2 0 207.321 1.540 20 30 BDEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840303 711153393 /nfs/dbraw/zinc/15/33/93/711153393.db2.gz YUOJHVUIAOVAFW-LSDHHAIUSA-N 3 0 249.402 1.158 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923480299 712334420 /nfs/dbraw/zinc/33/44/20/712334420.db2.gz WRSAYBKKIZTZIJ-JTQLQIEISA-N 2 0 219.288 1.322 20 30 BDEDRP C=CC[NH2+]CCN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206583715 968399517 /nfs/dbraw/zinc/39/95/17/968399517.db2.gz VQQBYTQWEWIRCY-CQSZACIVSA-N 2 0 239.407 1.615 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252618585 968876599 /nfs/dbraw/zinc/87/65/99/968876599.db2.gz YLTQPWAVQOFWCI-RUXDESIVSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001253601342 969295456 /nfs/dbraw/zinc/29/54/56/969295456.db2.gz PGAMTRNANHTDKB-STQMWFEESA-N 2 0 228.380 1.633 20 30 BDEDRP C=C[C@@H](CO)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173104166 975023633 /nfs/dbraw/zinc/02/36/33/975023633.db2.gz KXYKYJLCTSQKHE-HSBZDZAISA-N 2 0 240.391 1.776 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256966855 971046391 /nfs/dbraw/zinc/04/63/91/971046391.db2.gz PUOMOKUVCZOPIH-FUUBYGMNSA-N 2 0 247.386 1.952 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCc1ccc(C[NH3+])cc1 ZINC001217830944 971423820 /nfs/dbraw/zinc/42/38/20/971423820.db2.gz IJDSXLFIKHDTPU-CQSZACIVSA-N 2 0 232.327 1.580 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC[C@H]1CC[NH2+]C1 ZINC001217933618 971535237 /nfs/dbraw/zinc/53/52/37/971535237.db2.gz NDLUYVWFPTZZLM-MGPQQGTHSA-N 2 0 238.375 1.699 20 30 BDEDRP C=CCCC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156699 974333463 /nfs/dbraw/zinc/33/34/63/974333463.db2.gz SCGYBMNVRSCLTG-MNOVXSKESA-N 2 0 200.301 1.714 20 30 BDEDRP Cc1cc(CC#N)ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170901276 972051693 /nfs/dbraw/zinc/05/16/93/972051693.db2.gz YDVFEWCDHGLCFC-ZDUSSCGKSA-N 2 0 232.331 1.497 20 30 BDEDRP N#CC1(c2ccc(N[C@@H]([NH3+])CCC[NH3+])nc2)CC1 ZINC001170897094 972056231 /nfs/dbraw/zinc/05/62/31/972056231.db2.gz DBGIXFFFIHEKRE-LLVKDONJSA-N 2 0 245.330 1.072 20 30 BDEDRP N#CC1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC001246075604 972132245 /nfs/dbraw/zinc/13/22/45/972132245.db2.gz LRPYCWCYIUQGSG-UHFFFAOYSA-N 2 0 221.348 1.930 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH2+]CC1 ZINC001246080445 972135785 /nfs/dbraw/zinc/13/57/85/972135785.db2.gz RBRNWKRGAQAVDY-LBPRGKRZSA-N 2 0 243.354 1.831 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC001246304459 972265138 /nfs/dbraw/zinc/26/51/38/972265138.db2.gz LQYFVINMBMPMLO-NWDGAFQWSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCOCC[NH+](C)C ZINC000695843728 960509525 /nfs/dbraw/zinc/50/95/25/960509525.db2.gz QPQZKYSVQHSXRU-LBPRGKRZSA-N 2 0 241.379 1.483 20 30 BDEDRP C=C(C)CNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155661174 963145544 /nfs/dbraw/zinc/14/55/44/963145544.db2.gz WFWRVURVEQFSFM-UHFFFAOYSA-N 2 0 246.358 1.997 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]CCCS)CC1 ZINC001168304037 964397837 /nfs/dbraw/zinc/39/78/37/964397837.db2.gz LNBWQQPAESIHIX-UHFFFAOYSA-N 2 0 216.394 1.769 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093855 967338002 /nfs/dbraw/zinc/33/80/02/967338002.db2.gz GRFUMMVWQQAVPR-CQSZACIVSA-N 2 0 229.327 1.871 20 30 BDEDRP C=CCn1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205273302 967468493 /nfs/dbraw/zinc/46/84/93/967468493.db2.gz JYMGYODKTORFGW-AWEZNQCLSA-N 2 0 248.374 1.772 20 30 BDEDRP C=CCc1cccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206058551 968025848 /nfs/dbraw/zinc/02/58/48/968025848.db2.gz DPYMESAGRDOQTH-BXUZGUMPSA-N 2 0 246.354 1.900 20 30 BDEDRP C=C[C@@](C)(O)C[N@H+](CC)CCC[NH+](C)C ZINC001252558024 968802874 /nfs/dbraw/zinc/80/28/74/968802874.db2.gz LNODVDMSDSDXEO-GFCCVEGCSA-N 2 0 214.353 1.197 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001252579602 968833703 /nfs/dbraw/zinc/83/37/03/968833703.db2.gz NAWFWZRPXPLPOY-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001253606317 969303738 /nfs/dbraw/zinc/30/37/38/969303738.db2.gz FYPHCJXHVDPXHN-AWEZNQCLSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001253610524 969312445 /nfs/dbraw/zinc/31/24/45/969312445.db2.gz FRKOVJNSZQWOEX-BPCQOVAHSA-N 2 0 226.364 1.243 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001209268521 969419705 /nfs/dbraw/zinc/41/97/05/969419705.db2.gz KIDBPGIVUZIYBX-BETUJISGSA-N 2 0 206.333 1.283 20 30 BDEDRP C[NH+](C)CCC(C)(C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254643499 969757604 /nfs/dbraw/zinc/75/76/04/969757604.db2.gz LLQXEBXQZRJAAH-VXGBXAGGSA-N 2 0 223.364 1.999 20 30 BDEDRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254676754 969785490 /nfs/dbraw/zinc/78/54/90/969785490.db2.gz NQTBCRZUWPAPGK-KBUPBQIOSA-N 2 0 247.386 1.952 20 30 BDEDRP C=CCO[C@H]1CCN(CCC[NH+](CC)CC)C1 ZINC001255778445 970484573 /nfs/dbraw/zinc/48/45/73/970484573.db2.gz CYPAXTZEJTXEQR-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP N#CCc1cc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171335121 973867270 /nfs/dbraw/zinc/86/72/70/973867270.db2.gz LWSNYMNJUKUEKE-CYBMUJFWSA-N 2 0 230.315 1.124 20 30 BDEDRP C=CC[NH2+]CCN(CCC)C1CC[NH2+]CC1 ZINC001236181404 979440704 /nfs/dbraw/zinc/44/07/04/979440704.db2.gz YYAWYMLENCYPOB-UHFFFAOYSA-N 2 0 225.380 1.226 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001341660560 979516026 /nfs/dbraw/zinc/51/60/26/979516026.db2.gz VULHDBWWPWGITP-TUAOUCFPSA-N 2 0 239.363 1.056 20 30 BDEDRP C#CCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237384823 979882409 /nfs/dbraw/zinc/88/24/09/979882409.db2.gz YVKOWKCKWARSMD-OLZOCXBDSA-N 2 0 206.333 1.474 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001356083541 983572380 /nfs/dbraw/zinc/57/23/80/983572380.db2.gz RWIMOFSWGZPZHA-TUAOUCFPSA-N 2 0 210.321 1.001 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001579453771 985941117 /nfs/dbraw/zinc/94/11/17/985941117.db2.gz KJMXUTBRWXVQEX-IUODEOHRSA-N 2 0 243.354 1.893 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C#N)CC1 ZINC001579454670 985943500 /nfs/dbraw/zinc/94/35/00/985943500.db2.gz UMTJMJRGUNUPON-PWSUYJOCSA-N 2 0 207.321 1.077 20 30 BDEDRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001579598277 986119111 /nfs/dbraw/zinc/11/91/11/986119111.db2.gz MSVGARPCRYMFAC-IUODEOHRSA-N 2 0 243.354 1.893 20 30 BDEDRP C=C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001253588065 986178812 /nfs/dbraw/zinc/17/88/12/986178812.db2.gz RQNZOWBHVWEAEU-CQSZACIVSA-N 2 0 247.342 1.059 20 30 BDEDRP N#CC1(C[NH2+]C2CCC([NH3+])CC2)CCOCC1 ZINC001580038474 986444260 /nfs/dbraw/zinc/44/42/60/986444260.db2.gz NEGHWQXTRYFIAH-UHFFFAOYSA-N 2 0 237.347 1.166 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001580040541 986447059 /nfs/dbraw/zinc/44/70/59/986447059.db2.gz LAXMAYWPJVYDTP-AAVRWANBSA-N 2 0 233.359 1.800 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018332 987303611 /nfs/dbraw/zinc/30/36/11/987303611.db2.gz AVXRTLOKOOMUSP-UONOGXRCSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693749145 987314363 /nfs/dbraw/zinc/31/43/63/987314363.db2.gz AGLBTWOEJIYLLV-TUAOUCFPSA-N 2 0 208.349 1.929 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035133 987336590 /nfs/dbraw/zinc/33/65/90/987336590.db2.gz ZJMWZXCAXUZAPH-CHWSQXEVSA-N 2 0 224.348 1.141 20 30 BDEDRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC001246216116 987613649 /nfs/dbraw/zinc/61/36/49/987613649.db2.gz WMFGGEBGNWDXJY-SECBINFHSA-N 2 0 238.722 1.192 20 30 BDEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246266864 987663101 /nfs/dbraw/zinc/66/31/01/987663101.db2.gz SWAXVOQRSRMDQD-SWLSCSKDSA-N 2 0 228.339 1.898 20 30 BDEDRP C[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270794 987665496 /nfs/dbraw/zinc/66/54/96/987665496.db2.gz MXSNHTBASKDTDZ-ZWNOBZJWSA-N 2 0 247.317 1.927 20 30 BDEDRP C[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270777 987666165 /nfs/dbraw/zinc/66/61/65/987666165.db2.gz MXSNHTBASKDTDZ-GXFFZTMASA-N 2 0 247.317 1.927 20 30 BDEDRP CC(C)(S)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246283215 987677940 /nfs/dbraw/zinc/67/79/40/987677940.db2.gz ALIQFGFTCXNIEZ-ULKQDVFKSA-N 2 0 214.378 1.567 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246546675 987925542 /nfs/dbraw/zinc/92/55/42/987925542.db2.gz NGDONQYGNGXBNI-IJLUTSLNSA-N 2 0 207.321 1.492 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118121867 988028944 /nfs/dbraw/zinc/02/89/44/988028944.db2.gz KECNTIRKBICZHG-LRVUVFPRSA-N 2 0 243.354 1.795 20 30 BDEDRP C=CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001560253880 991444984 /nfs/dbraw/zinc/44/49/84/991444984.db2.gz LRCWAGHHDZIGTO-UHFFFAOYSA-N 2 0 245.370 1.714 20 30 BDEDRP C=CCC1(O)C[NH+](CC2CC[NH+](CC)CC2)C1 ZINC001474752009 992378376 /nfs/dbraw/zinc/37/83/76/992378376.db2.gz UACJQYSNMDXIEI-UHFFFAOYSA-N 2 0 238.375 1.341 20 30 BDEDRP C[C@@H](CCC#N)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001307990876 995521806 /nfs/dbraw/zinc/52/18/06/995521806.db2.gz WRQGYEBVPBHTKK-XQQFMLRXSA-N 2 0 221.348 1.562 20 30 BDEDRP CC#CCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000155608502 136213214 /nfs/dbraw/zinc/21/32/14/136213214.db2.gz IKZDEMMMDFULQK-HNNXBMFYSA-N 2 0 249.402 1.112 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423019714 398161453 /nfs/dbraw/zinc/16/14/53/398161453.db2.gz WVTLAPWSNMQORG-UPJWGTAASA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602477220 349564525 /nfs/dbraw/zinc/56/45/25/349564525.db2.gz ZHSJRWUQKUNDQW-OLZOCXBDSA-N 2 0 223.364 1.810 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](C)CC1 ZINC000602546870 349590502 /nfs/dbraw/zinc/59/05/02/349590502.db2.gz YTTUCVQMSUMTFB-LBPRGKRZSA-N 2 0 223.364 1.858 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000602546495 349589619 /nfs/dbraw/zinc/58/96/19/349589619.db2.gz DJCZJVJYAYGOQT-QWHCGFSZSA-N 2 0 223.364 1.858 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000231930176 342761218 /nfs/dbraw/zinc/76/12/18/342761218.db2.gz GGSHPGMQAUXBMG-QWRGUYRKSA-N 2 0 214.378 1.765 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000309338913 347037570 /nfs/dbraw/zinc/03/75/70/347037570.db2.gz KQELTDMHSSPDTJ-ZDUSSCGKSA-N 2 0 221.348 1.708 20 30 BDEDRP C#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133294239 344317194 /nfs/dbraw/zinc/31/71/94/344317194.db2.gz PHYCVXWBCROYMP-OLZOCXBDSA-N 2 0 206.333 1.426 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000600712053 344361844 /nfs/dbraw/zinc/36/18/44/344361844.db2.gz VXKHTSIENHUNMP-NEPJUHHUSA-N 2 0 225.336 1.024 20 30 BDEDRP CC(C)(C#N)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283394 344516614 /nfs/dbraw/zinc/51/66/14/344516614.db2.gz ZFKSKUMUGZCZIL-RYUDHWBXSA-N 2 0 221.348 1.468 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000591580001 347677639 /nfs/dbraw/zinc/67/76/39/347677639.db2.gz FHGAOFCYOIUALE-JHJVBQTASA-N 2 0 233.359 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000591578225 347677644 /nfs/dbraw/zinc/67/76/44/347677644.db2.gz BVPUSEHKMVKBTR-AGIUHOORSA-N 2 0 221.348 1.800 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470786 347789286 /nfs/dbraw/zinc/78/92/86/347789286.db2.gz HJZKIZYWEPMCHS-RWMBFGLXSA-N 2 0 235.375 1.904 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000594521221 348069672 /nfs/dbraw/zinc/06/96/72/348069672.db2.gz MTNPKIZFFGGHPX-PHIMTYICSA-N 2 0 233.315 1.581 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000594512073 348061143 /nfs/dbraw/zinc/06/11/43/348061143.db2.gz TUCVYVZQXVMLNF-IGQOVBAYSA-N 2 0 235.375 1.999 20 30 BDEDRP N#Cc1ccc(CC[NH+]2CCC([NH3+])CC2)cc1 ZINC000595891597 348390156 /nfs/dbraw/zinc/39/01/56/348390156.db2.gz IGYKXVWMLITUDF-UHFFFAOYSA-N 2 0 229.327 1.524 20 30 BDEDRP C[C@H](C#N)CNCc1ccnn1-c1cc[nH+]cc1 ZINC000597082932 348658913 /nfs/dbraw/zinc/65/89/13/348658913.db2.gz OJLAIDFZDYTCEA-LLVKDONJSA-N 2 0 241.298 1.517 20 30 BDEDRP N#CCC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000260188355 351072801 /nfs/dbraw/zinc/07/28/01/351072801.db2.gz RACBBHAMYAXRTP-UHFFFAOYSA-N 2 0 207.321 1.364 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336740144 352368582 /nfs/dbraw/zinc/36/85/82/352368582.db2.gz LZCWVUGFPBOCBN-AGIUHOORSA-N 2 0 226.364 1.101 20 30 BDEDRP C#CCN(CC#C)CCC[NH+]1CCCCC1 ZINC000161346369 353280766 /nfs/dbraw/zinc/28/07/66/353280766.db2.gz BKTVCCPMXQONNS-UHFFFAOYSA-N 2 0 218.344 1.431 20 30 BDEDRP C=CCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639118563 353753585 /nfs/dbraw/zinc/75/35/85/353753585.db2.gz LFFIYMAHDFEONC-UHFFFAOYSA-N 2 0 240.391 1.778 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1cnccc1C ZINC000294542045 353782244 /nfs/dbraw/zinc/78/22/44/353782244.db2.gz AQUNEIPHHAWZEP-AWEZNQCLSA-N 2 0 245.370 1.996 20 30 BDEDRP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334541162 353975452 /nfs/dbraw/zinc/97/54/52/353975452.db2.gz SVHSRCNZYQJNJW-QWHCGFSZSA-N 2 0 208.349 1.979 20 30 BDEDRP N#Cc1cccc(C[NH2+]CCN2CCCC2)c1 ZINC000020126793 181137756 /nfs/dbraw/zinc/13/77/56/181137756.db2.gz FRVDMOIZVDIRFL-UHFFFAOYSA-N 2 0 229.327 1.744 20 30 BDEDRP C#CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366899937 354660941 /nfs/dbraw/zinc/66/09/41/354660941.db2.gz DKEMSFJIJUJDMA-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000113515297 355252247 /nfs/dbraw/zinc/25/22/47/355252247.db2.gz XRJQVSRNVHRACF-LBPRGKRZSA-N 2 0 209.337 1.564 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CCN(CC2(C#N)CCC2)C1 ZINC000450474959 202174817 /nfs/dbraw/zinc/17/48/17/202174817.db2.gz UIPRDPWWLGHRCX-ZDUSSCGKSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CCN1CC[NH2+]CC1 ZINC000423199605 192623085 /nfs/dbraw/zinc/62/30/85/192623085.db2.gz CECAYARZZXSHFS-CYBMUJFWSA-N 2 0 225.380 1.226 20 30 BDEDRP C[N@@H+]1CC[C@H]2CCN(CCCC#N)[C@H]2C1 ZINC000361107544 134203607 /nfs/dbraw/zinc/20/36/07/134203607.db2.gz QAXBLXHQDSLMTH-RYUDHWBXSA-N 2 0 207.321 1.316 20 30 BDEDRP C=C(C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371296064 134228400 /nfs/dbraw/zinc/22/84/00/134228400.db2.gz WSBHFBKCXDHXCH-BFHYXJOUSA-N 2 0 238.375 1.746 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CCCCC#N)CC1 ZINC000042393711 358522600 /nfs/dbraw/zinc/52/26/00/358522600.db2.gz XHRRCUYFNRUJNV-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090883504 360092885 /nfs/dbraw/zinc/09/28/85/360092885.db2.gz FNCKOOSBOBTMKC-ZIAGYGMSSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090883505 360092983 /nfs/dbraw/zinc/09/29/83/360092983.db2.gz FNCKOOSBOBTMKC-UONOGXRCSA-N 2 0 238.375 1.796 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429680657 201125909 /nfs/dbraw/zinc/12/59/09/201125909.db2.gz IRCZAASWMDXNBE-RDBSUJKOSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000629552018 361444418 /nfs/dbraw/zinc/44/44/18/361444418.db2.gz YWBZPPCOTHAPOD-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP N#Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)o1 ZINC000600769833 369562719 /nfs/dbraw/zinc/56/27/19/369562719.db2.gz SKSGHNLMLMUJDY-SNVBAGLBSA-N 2 0 219.288 1.240 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334903 371485308 /nfs/dbraw/zinc/48/53/08/371485308.db2.gz HVOOBPWQUBVFJC-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000126872578 384181967 /nfs/dbraw/zinc/18/19/67/384181967.db2.gz VXDMVVACLATWQN-FZMZJTMJSA-N 2 0 229.327 1.727 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+](CC)CC ZINC000104153402 384805180 /nfs/dbraw/zinc/80/51/80/384805180.db2.gz MOTHKXZIIAJJHI-UHFFFAOYSA-N 2 0 226.368 1.199 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308839715 385212664 /nfs/dbraw/zinc/21/26/64/385212664.db2.gz JQNGPZJKCQWGQU-WOPDTQHZSA-N 2 0 209.337 1.608 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000295019123 385382340 /nfs/dbraw/zinc/38/23/40/385382340.db2.gz NMJVUNAENMREAL-CYBMUJFWSA-N 2 0 246.354 1.998 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794230 385733639 /nfs/dbraw/zinc/73/36/39/385733639.db2.gz VOBRKQHTCBMFQX-IGQOVBAYSA-N 2 0 238.375 1.149 20 30 BDEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414169158 386017536 /nfs/dbraw/zinc/01/75/36/386017536.db2.gz ROGSOVNGSJSGSC-RYUDHWBXSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CC[C@H](CC)[NH2+][C@@H](CCC[NH3+])COC ZINC000393773159 259711881 /nfs/dbraw/zinc/71/18/81/259711881.db2.gz KRGFNJPUHOSLED-RYUDHWBXSA-N 2 0 214.353 1.685 20 30 BDEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423052676 387859668 /nfs/dbraw/zinc/85/96/68/387859668.db2.gz QHAANOSSZLFVOM-JHJVBQTASA-N 2 0 226.364 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423106552 387890753 /nfs/dbraw/zinc/89/07/53/387890753.db2.gz ZZPFUAGSLHEKJE-DGAVXFQQSA-N 2 0 238.375 1.698 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000328119348 387879302 /nfs/dbraw/zinc/87/93/02/387879302.db2.gz QIXKCFUFGIPKGN-KGLIPLIRSA-N 2 0 249.402 1.156 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423092974 387882330 /nfs/dbraw/zinc/88/23/30/387882330.db2.gz FCDDGXFHXAKNMX-NEPJUHHUSA-N 2 0 221.348 1.787 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000423095871 387884611 /nfs/dbraw/zinc/88/46/11/387884611.db2.gz NHYHVJAWRQDAEQ-RYUDHWBXSA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330545 387975483 /nfs/dbraw/zinc/97/54/83/387975483.db2.gz RALZAIPUQLRRMF-RGDJUOJXSA-N 2 0 235.375 1.997 20 30 BDEDRP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424364031 387990149 /nfs/dbraw/zinc/99/01/49/387990149.db2.gz CSLSRJCBLKJOEA-WUHRBBMRSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424369153 387994878 /nfs/dbraw/zinc/99/48/78/387994878.db2.gz BFKKAZITGIJNSV-RVMXOQNASA-N 2 0 221.348 1.656 20 30 BDEDRP CC#CCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000156483811 387982843 /nfs/dbraw/zinc/98/28/43/387982843.db2.gz RKGWEZNNZAJDEY-UHFFFAOYSA-N 2 0 243.354 1.925 20 30 BDEDRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424373345 387997541 /nfs/dbraw/zinc/99/75/41/387997541.db2.gz XRAAHQNISVQELT-YVECIDJPSA-N 2 0 221.348 1.799 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000424387415 388000848 /nfs/dbraw/zinc/00/08/48/388000848.db2.gz YPPJMRPHBUJYAR-YFKTTZPYSA-N 2 0 210.321 1.047 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000424371711 387996396 /nfs/dbraw/zinc/99/63/96/387996396.db2.gz GHJZLJVRZRMYNV-UCEQBCCISA-N 2 0 219.332 1.551 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423253565 388034809 /nfs/dbraw/zinc/03/48/09/388034809.db2.gz WFGCCXTWUMVSGF-JHJVBQTASA-N 2 0 221.348 1.658 20 30 BDEDRP C#CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000490616538 388243081 /nfs/dbraw/zinc/24/30/81/388243081.db2.gz KWELVUJIUDSBQL-UHFFFAOYSA-N 2 0 208.349 1.672 20 30 BDEDRP C=CC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])COC ZINC000393773152 388441991 /nfs/dbraw/zinc/44/19/91/388441991.db2.gz KRGFNJPUHOSLED-NEPJUHHUSA-N 2 0 214.353 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000516937311 388526727 /nfs/dbraw/zinc/52/67/27/388526727.db2.gz CAVHRFXCMJIKSH-SYQHCUMBSA-N 2 0 238.375 1.827 20 30 BDEDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(C#N)c(F)c1 ZINC000423197002 388688769 /nfs/dbraw/zinc/68/87/69/388688769.db2.gz XFKCKZLNECEORN-VIFPVBQESA-N 2 0 221.279 1.697 20 30 BDEDRP C[NH2+]CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423198339 388688846 /nfs/dbraw/zinc/68/88/46/388688846.db2.gz FIDKXUYUZVQQLW-AWEZNQCLSA-N 2 0 229.327 1.745 20 30 BDEDRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423198340 388688851 /nfs/dbraw/zinc/68/88/51/388688851.db2.gz FIDKXUYUZVQQLW-CQSZACIVSA-N 2 0 229.327 1.745 20 30 BDEDRP C=CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960313 132437614 /nfs/dbraw/zinc/43/76/14/132437614.db2.gz ZNKHUYXTXFJLIA-UHFFFAOYSA-N 2 0 217.316 1.826 20 30 BDEDRP CN(C)C(=[NH+]CC[NH+]1CCCCCC1)N(C)C ZINC000104168399 134159375 /nfs/dbraw/zinc/15/93/75/134159375.db2.gz QYLFSXVLXZFSRG-UHFFFAOYSA-N 2 0 240.395 1.342 20 30 BDEDRP C#CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371185208 134227388 /nfs/dbraw/zinc/22/73/88/134227388.db2.gz QTVSERKVRDLAGI-MELADBBJSA-N 2 0 236.359 1.193 20 30 BDEDRP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000303266726 134233371 /nfs/dbraw/zinc/23/33/71/134233371.db2.gz WHZWFTHOYMXKJG-GFCCVEGCSA-N 2 0 238.379 1.127 20 30 BDEDRP C=CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378245984 134245606 /nfs/dbraw/zinc/24/56/06/134245606.db2.gz FDZVZKJVDVUTGX-BFHYXJOUSA-N 2 0 238.375 1.746 20 30 BDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000264075156 135131969 /nfs/dbraw/zinc/13/19/69/135131969.db2.gz HCBNVCLFADBAGY-UHFFFAOYSA-N 2 0 235.335 1.148 20 30 BDEDRP C=CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261558635 135199875 /nfs/dbraw/zinc/19/98/75/135199875.db2.gz YNZZKLZOWCRKQS-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP CN(C)C(=[NH+]CCC1CC[NH+](C)CC1)N(C)C ZINC000261991550 135269662 /nfs/dbraw/zinc/26/96/62/135269662.db2.gz MERPNLYJHZJNGQ-UHFFFAOYSA-N 2 0 240.395 1.198 20 30 BDEDRP CC(C)(CNC(=[NH2+])NC1CC1)C[NH+]1CCCC1 ZINC000262421599 135296282 /nfs/dbraw/zinc/29/62/82/135296282.db2.gz QOOKIRKQKLUFLR-UHFFFAOYSA-N 2 0 238.379 1.175 20 30 BDEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCCC[C@@H]1C ZINC000262625765 135309692 /nfs/dbraw/zinc/30/96/92/135309692.db2.gz DJXXRDHKSLSYAU-GRYCIOLGSA-N 2 0 238.379 1.187 20 30 BDEDRP C[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCC(C)CC1 ZINC000262683226 135312858 /nfs/dbraw/zinc/31/28/58/135312858.db2.gz XGTIUMLJOQOLLX-NWDGAFQWSA-N 2 0 238.379 1.044 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC[N@H+](C)C2CCCCC2)N1 ZINC000262685689 135313898 /nfs/dbraw/zinc/31/38/98/135313898.db2.gz YHQVQSAAWXIRKU-LLVKDONJSA-N 2 0 238.379 1.188 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC[N@H+](C)C2CCCCC2)N1 ZINC000262685690 135314249 /nfs/dbraw/zinc/31/42/49/135314249.db2.gz YHQVQSAAWXIRKU-NSHDSACASA-N 2 0 238.379 1.188 20 30 BDEDRP C=CCC[NH+](C)CC(O)C[N@H+](C)CCC=C ZINC000278258594 166257864 /nfs/dbraw/zinc/25/78/64/166257864.db2.gz GSVQAIYRPBHLNE-UHFFFAOYSA-N 2 0 226.364 1.363 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658210104 411294474 /nfs/dbraw/zinc/29/44/74/411294474.db2.gz OCZLOMIAJQYUBI-QWHCGFSZSA-N 2 0 226.364 1.651 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000658210578 411295433 /nfs/dbraw/zinc/29/54/33/411295433.db2.gz UQNFTEKTYPPZOY-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658693 411614667 /nfs/dbraw/zinc/61/46/67/411614667.db2.gz GGPIZDNZZYHVGG-KGLIPLIRSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000662299561 412087613 /nfs/dbraw/zinc/08/76/13/412087613.db2.gz ROMXOZKCXFVQHW-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000400470478 226344254 /nfs/dbraw/zinc/34/42/54/226344254.db2.gz XRCLEHQQJQEWFP-FZMZJTMJSA-N 2 0 229.327 1.788 20 30 BDEDRP C=CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361680 487932747 /nfs/dbraw/zinc/93/27/47/487932747.db2.gz MIFSHPYJNVSQIQ-MCIONIFRSA-N 2 0 238.375 1.923 20 30 BDEDRP N#Cc1cccc(CN2CCCO[C@H](C[NH3+])C2)c1 ZINC000313340898 326263479 /nfs/dbraw/zinc/26/34/79/326263479.db2.gz AWPYAWOFYSMVFX-CQSZACIVSA-N 2 0 245.326 1.108 20 30 BDEDRP C=C[C@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668754191 487487087 /nfs/dbraw/zinc/48/70/87/487487087.db2.gz MFQKMJXJJKLUCK-GFCCVEGCSA-N 2 0 247.342 1.187 20 30 BDEDRP C#CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000363466338 491121106 /nfs/dbraw/zinc/12/11/06/491121106.db2.gz FNWFFDPVOUCIDB-AWEZNQCLSA-N 2 0 220.360 1.960 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413671 534778411 /nfs/dbraw/zinc/77/84/11/534778411.db2.gz FNCKOOSBOBTMKC-KGLIPLIRSA-N 2 0 238.375 1.796 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC[C@H]1C ZINC000262632613 535548618 /nfs/dbraw/zinc/54/86/18/535548618.db2.gz GAPZMJGOIJXACE-IJLUTSLNSA-N 2 0 238.379 1.174 20 30 BDEDRP C#CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852104361 583003471 /nfs/dbraw/zinc/00/34/71/583003471.db2.gz ABCPKYJTXLZOFX-ZDUSSCGKSA-N 2 0 206.333 1.427 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000893284438 583085232 /nfs/dbraw/zinc/08/52/32/583085232.db2.gz RUHJRQZVFOXRCP-CYBMUJFWSA-N 2 0 226.364 1.102 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000896035171 583764518 /nfs/dbraw/zinc/76/45/18/583764518.db2.gz OMJHMUIZZNAHHV-CPIKKWJDSA-N 2 0 238.375 1.528 20 30 BDEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(N)n2)CC1 ZINC000730076869 584123524 /nfs/dbraw/zinc/12/35/24/584123524.db2.gz BNBNMUFMWRSWGX-UHFFFAOYSA-N 2 0 247.346 1.430 20 30 BDEDRP CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000902443593 584598187 /nfs/dbraw/zinc/59/81/87/584598187.db2.gz LEZIDQBMTAWKKF-WOPDTQHZSA-N 2 0 221.348 1.656 20 30 BDEDRP C[N@H+](CC1CCC(C#N)CC1)C1CC([NH3+])C1 ZINC000903453711 584772983 /nfs/dbraw/zinc/77/29/83/584772983.db2.gz JCUVTWGHXBJHOV-UHFFFAOYSA-N 2 0 221.348 1.738 20 30 BDEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]CCC[NH3+] ZINC000903988840 584836059 /nfs/dbraw/zinc/83/60/59/584836059.db2.gz YIPUEJZQSYYETA-UHFFFAOYSA-N 2 0 231.343 1.818 20 30 BDEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000904411367 584879804 /nfs/dbraw/zinc/87/98/04/584879804.db2.gz UWFQWRAUCJFMDM-SWLSCSKDSA-N 2 0 243.354 1.975 20 30 BDEDRP C#CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000760842260 585399221 /nfs/dbraw/zinc/39/92/21/585399221.db2.gz FCEIVEHKSNZJBD-CQSZACIVSA-N 2 0 220.360 1.673 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774271309 585655727 /nfs/dbraw/zinc/65/57/27/585655727.db2.gz IQCBGJMMQQGVSJ-RLAWYHOSSA-N 2 0 238.375 1.386 20 30 BDEDRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1C#N ZINC000817916012 586839339 /nfs/dbraw/zinc/83/93/39/586839339.db2.gz UAJHPILKFJMFRF-WDEREUQCSA-N 2 0 247.342 1.782 20 30 BDEDRP C#CC[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000829814817 587519039 /nfs/dbraw/zinc/51/90/39/587519039.db2.gz ACTTWTYGKQSOTE-ZDUSSCGKSA-N 2 0 231.343 1.698 20 30 BDEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)NC1CC1 ZINC000849006175 588432791 /nfs/dbraw/zinc/43/27/91/588432791.db2.gz BHOMWHJXIZSYED-UHFFFAOYSA-N 2 0 238.379 1.188 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048907 588451313 /nfs/dbraw/zinc/45/13/13/588451313.db2.gz MTWMDWXEZLBYQZ-PHIMTYICSA-N 2 0 224.352 1.017 20 30 BDEDRP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000851796398 588629719 /nfs/dbraw/zinc/62/97/19/588629719.db2.gz DBVRWOIKFOZYGN-ZIAGYGMSSA-N 2 0 238.375 1.441 20 30 BDEDRP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000851848216 588634638 /nfs/dbraw/zinc/63/46/38/588634638.db2.gz ZVKWYJIDZQHMIP-KBPBESRZSA-N 2 0 238.375 1.298 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000866585723 589501778 /nfs/dbraw/zinc/50/17/78/589501778.db2.gz SVOJRYFLNBOPDO-REWJHTLYSA-N 2 0 233.359 1.705 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000876938268 590258960 /nfs/dbraw/zinc/25/89/60/590258960.db2.gz XEXGKGUPEWRELL-SNVBAGLBSA-N 2 0 247.770 1.092 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCCC[NH3+] ZINC000876938267 590259074 /nfs/dbraw/zinc/25/90/74/590259074.db2.gz XEXGKGUPEWRELL-JTQLQIEISA-N 2 0 247.770 1.092 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000878109237 590496518 /nfs/dbraw/zinc/49/65/18/590496518.db2.gz OAORWQATLLKVJK-ZDUSSCGKSA-N 2 0 240.391 1.730 20 30 BDEDRP C#CC1([NH2+]Cc2cnc(N(C)C)n2C)CCCC1 ZINC000883362859 591631302 /nfs/dbraw/zinc/63/13/02/591631302.db2.gz PHTKCYIBLQWGFE-UHFFFAOYSA-N 2 0 246.358 1.522 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883393100 591645266 /nfs/dbraw/zinc/64/52/66/591645266.db2.gz VWCCGRWGZMETEB-STQMWFEESA-N 2 0 240.391 1.776 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000104160365 592602781 /nfs/dbraw/zinc/60/27/81/592602781.db2.gz MHMWVOMOYIFHMW-GFCCVEGCSA-N 2 0 242.411 1.667 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCC#N)C[C@@H]2C1 ZINC000309398737 633013346 /nfs/dbraw/zinc/01/33/46/633013346.db2.gz UXRLAKMTCULNQO-OLZOCXBDSA-N 2 0 221.348 1.564 20 30 BDEDRP C#CCN(C)CCC[NH2+]C[C@]1(C)CCCS1 ZINC000328018901 633212639 /nfs/dbraw/zinc/21/26/39/633212639.db2.gz RXJCTZVTVASBLQ-ZDUSSCGKSA-N 2 0 240.416 1.817 20 30 BDEDRP C[C@H](CCC#N)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621815 636827296 /nfs/dbraw/zinc/82/72/96/636827296.db2.gz VKLCWKAUDQRUMJ-HZSPNIEDSA-N 2 0 235.375 1.810 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906519249 638187854 /nfs/dbraw/zinc/18/78/54/638187854.db2.gz WHFYIIVIVOZQPX-HAQNSBGRSA-N 2 0 201.273 1.138 20 30 BDEDRP C[N@@H+]1CC[C@@H]2CN(C[C@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430223 640198574 /nfs/dbraw/zinc/19/85/74/640198574.db2.gz MVHVESIJHHBKGX-MJBXVCDLSA-N 2 0 246.358 1.313 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181098173 642837789 /nfs/dbraw/zinc/83/77/89/642837789.db2.gz UZKLIQCQLBKXIM-RYUDHWBXSA-N 2 0 226.389 1.425 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000320589053 643757526 /nfs/dbraw/zinc/75/75/26/643757526.db2.gz YWIRNAVOPAPJIB-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923296174 644336039 /nfs/dbraw/zinc/33/60/39/644336039.db2.gz OJDHOKRBZQJPQR-VXGBXAGGSA-N 2 0 214.353 1.277 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349165 644362915 /nfs/dbraw/zinc/36/29/15/644362915.db2.gz PHHPWHAOZNJMRH-QWHCGFSZSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923343035 644363427 /nfs/dbraw/zinc/36/34/27/644363427.db2.gz BFMAZFVGGRYVDQ-AVGNSLFASA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422377 644419121 /nfs/dbraw/zinc/41/91/21/644419121.db2.gz QOSFJOQWJAXCMW-AXFHLTTASA-N 2 0 212.337 1.029 20 30 BDEDRP CCC[NH+](CCC)CCCNC(NC)=[NH+]C ZINC000303390807 644820232 /nfs/dbraw/zinc/82/02/32/644820232.db2.gz DLIZZDUZFDSRFI-UHFFFAOYSA-N 2 0 228.384 1.293 20 30 BDEDRP CC(C)NC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303776465 644844497 /nfs/dbraw/zinc/84/44/97/644844497.db2.gz HUQXLVDQWVIQAC-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP CCN(CC)C(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303789738 644846917 /nfs/dbraw/zinc/84/69/17/644846917.db2.gz VRACEQGYAZGGCM-UHFFFAOYSA-N 2 0 226.368 1.129 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303868921 644851114 /nfs/dbraw/zinc/85/11/14/644851114.db2.gz AQHSOOJELSNCSK-LLVKDONJSA-N 2 0 226.368 1.033 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303873634 644852982 /nfs/dbraw/zinc/85/29/82/644852982.db2.gz CQFGANCAYGREMW-LBPRGKRZSA-N 2 0 240.395 1.423 20 30 BDEDRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303909270 644857814 /nfs/dbraw/zinc/85/78/14/644857814.db2.gz YBHRLCBVKLCDIB-GFCCVEGCSA-N 2 0 240.395 1.279 20 30 BDEDRP CC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C(C)C ZINC000303973480 644861281 /nfs/dbraw/zinc/86/12/81/644861281.db2.gz GYFSMXOAJFIMGF-UHFFFAOYSA-N 2 0 228.384 1.196 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC1 ZINC000304736377 644927270 /nfs/dbraw/zinc/92/72/70/644927270.db2.gz ABHHXZMHHPKBDP-LBPRGKRZSA-N 2 0 238.379 1.175 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NC1CCCCC1 ZINC000304763372 644933380 /nfs/dbraw/zinc/93/33/80/644933380.db2.gz WSQKUKSXMGFILV-UHFFFAOYSA-N 2 0 240.395 1.612 20 30 BDEDRP C#CC1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852205065 645472859 /nfs/dbraw/zinc/47/28/59/645472859.db2.gz HUVQCTOPYOFAEU-AWEZNQCLSA-N 2 0 238.375 1.033 20 30 BDEDRP C#CC[NH+](C)CCCC[N@H+](CC#C)C[C@@H]1C[C@H]1C ZINC000859740540 645686208 /nfs/dbraw/zinc/68/62/08/645686208.db2.gz NUPCXZFQHJJWLH-CVEARBPZSA-N 2 0 246.398 1.923 20 30 BDEDRP N#CCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925609269 646358202 /nfs/dbraw/zinc/35/82/02/646358202.db2.gz ROSQEGUDKUPTOC-QWRGUYRKSA-N 2 0 207.321 1.540 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925654677 646393961 /nfs/dbraw/zinc/39/39/61/646393961.db2.gz HHNXRSLDEMXOMV-UPJWGTAASA-N 2 0 238.375 1.698 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925672039 646403125 /nfs/dbraw/zinc/40/31/25/646403125.db2.gz GHXRYYYAGWARGE-QWHCGFSZSA-N 2 0 242.326 1.313 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925680986 646409144 /nfs/dbraw/zinc/40/91/44/646409144.db2.gz LZBLOCXRGBYHIC-NNWKIESISA-N 2 0 245.370 1.655 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925709878 646433943 /nfs/dbraw/zinc/43/39/43/646433943.db2.gz OYJNOLIZDVOJKN-NSHDSACASA-N 2 0 212.337 1.309 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925769854 646471633 /nfs/dbraw/zinc/47/16/33/646471633.db2.gz GCRGFXQDKUAVBG-YNEHKIRRSA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000925803583 646488351 /nfs/dbraw/zinc/48/83/51/646488351.db2.gz RQPWWGRWYBRCFO-AAVRWANBSA-N 2 0 235.375 1.904 20 30 BDEDRP C=CC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385225372 711008661 /nfs/dbraw/zinc/00/86/61/711008661.db2.gz SFTIRJATOGAGDO-JZRPKSSGSA-N 2 0 220.360 1.785 20 30 BDEDRP CCNC(NC[C@H]1CC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000395997472 711218788 /nfs/dbraw/zinc/21/87/88/711218788.db2.gz YHOXFZHZEIVJET-GFCCVEGCSA-N 2 0 240.395 1.292 20 30 BDEDRP C[N@@H+]1C[C@@H]2C[NH+](CCCCC#N)C[C@]2(C)C1 ZINC000702478303 712054257 /nfs/dbraw/zinc/05/42/57/712054257.db2.gz KNDGCDSYGIOJBU-OLZOCXBDSA-N 2 0 221.348 1.564 20 30 BDEDRP C#CCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705105410 712122708 /nfs/dbraw/zinc/12/27/08/712122708.db2.gz CPFYTQQNNFOQGI-CYBMUJFWSA-N 2 0 208.349 1.673 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCCC[C@H]2C)N1 ZINC000383988009 712887932 /nfs/dbraw/zinc/88/79/32/712887932.db2.gz KYXGUVSKFXJYJI-VXGBXAGGSA-N 2 0 238.379 1.188 20 30 BDEDRP C=C[C@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252555051 968795119 /nfs/dbraw/zinc/79/51/19/968795119.db2.gz OFKKJONGCQOFLO-ZDUSSCGKSA-N 2 0 226.364 1.197 20 30 BDEDRP C=C[C@](C)(O)C[N@H+](CC)CCC[NH+](C)C ZINC001252558025 968804664 /nfs/dbraw/zinc/80/46/64/968804664.db2.gz LNODVDMSDSDXEO-LBPRGKRZSA-N 2 0 214.353 1.197 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252588585 968846731 /nfs/dbraw/zinc/84/67/31/968846731.db2.gz DCYKMGPGGGGPBU-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252604400 968864129 /nfs/dbraw/zinc/86/41/29/968864129.db2.gz RQNNZHWPXWLOMH-CQSZACIVSA-N 2 0 242.407 1.977 20 30 BDEDRP C[N@H+](CCC#N)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855813 970999001 /nfs/dbraw/zinc/99/90/01/970999001.db2.gz XASXEKQVVKRFDM-UHFFFAOYSA-N 2 0 244.342 1.896 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405430006 971256594 /nfs/dbraw/zinc/25/65/94/971256594.db2.gz RVSJUGWFHURRQR-NEPJUHHUSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC001217830942 971422646 /nfs/dbraw/zinc/42/26/46/971422646.db2.gz IJDSXLFIKHDTPU-AWEZNQCLSA-N 2 0 232.327 1.580 20 30 BDEDRP C=C1C[C@@H]2CC([NH2+]CCOCC[NH3+])C[C@H](C1)C2 ZINC001257888686 971521877 /nfs/dbraw/zinc/52/18/77/971521877.db2.gz XZBONJIFPWSTJI-PBWFPOADSA-N 2 0 238.375 1.686 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218205827 971627660 /nfs/dbraw/zinc/62/76/60/971627660.db2.gz XTCUJDIOSZGRDD-HNNXBMFYSA-N 2 0 244.338 1.629 20 30 BDEDRP N#Cc1ccc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170895483 972050586 /nfs/dbraw/zinc/05/05/86/972050586.db2.gz TUXIJBJQQACESR-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP N#Cc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1Cl ZINC001170897294 972056389 /nfs/dbraw/zinc/05/63/89/972056389.db2.gz LWTQFYHILQOJTL-MRVPVSSYSA-N 2 0 239.710 1.042 20 30 BDEDRP N#Cc1cc2c(cccc2N[C@H]([NH3+])CCC[NH3+])[nH]1 ZINC001170900140 972064200 /nfs/dbraw/zinc/06/42/00/972064200.db2.gz IVIROKCKEUFSJA-ZDUSSCGKSA-N 2 0 243.314 1.475 20 30 BDEDRP [NH3+]CCC[C@H]([NH3+])Nc1ccccc1CS ZINC001170904252 972078584 /nfs/dbraw/zinc/07/85/84/972078584.db2.gz MNZCHPYQKCIRJD-LLVKDONJSA-N 2 0 225.361 1.552 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000689825930 958339494 /nfs/dbraw/zinc/33/94/94/958339494.db2.gz BENUFGHDEWDLAW-KGLIPLIRSA-N 2 0 238.375 1.346 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000689825935 958342024 /nfs/dbraw/zinc/34/20/24/958342024.db2.gz BENUFGHDEWDLAW-UONOGXRCSA-N 2 0 238.375 1.346 20 30 BDEDRP C#CCCC1(CC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)N=N1 ZINC001246511161 972371455 /nfs/dbraw/zinc/37/14/55/972371455.db2.gz AEZRTMVMFVDFQL-RYUDHWBXSA-N 2 0 234.347 1.682 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303718979 963080342 /nfs/dbraw/zinc/08/03/42/963080342.db2.gz VOCCQINQYCNKKM-UHFFFAOYSA-N 2 0 242.411 1.525 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094155 967338138 /nfs/dbraw/zinc/33/81/38/967338138.db2.gz JETKDHXEGYMPGQ-OAHLLOKOSA-N 2 0 243.354 1.914 20 30 BDEDRP N#Cc1cc(F)cc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000163314523 967632079 /nfs/dbraw/zinc/63/20/79/967632079.db2.gz YIBFAUCYNYRHOA-UHFFFAOYSA-N 2 0 247.317 1.868 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205984617 967932816 /nfs/dbraw/zinc/93/28/16/967932816.db2.gz SNZLTWXLRQFZEV-STQMWFEESA-N 2 0 208.349 1.707 20 30 BDEDRP C#Cc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206188231 968115460 /nfs/dbraw/zinc/11/54/60/968115460.db2.gz UVNYQLRJHINVBW-GJZGRUSLSA-N 2 0 246.329 1.929 20 30 BDEDRP C#Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183076 968116508 /nfs/dbraw/zinc/11/65/08/968116508.db2.gz FIEBSHJYRKDVTH-GJZGRUSLSA-N 2 0 246.329 1.929 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252622667 968883295 /nfs/dbraw/zinc/88/32/95/968883295.db2.gz YLTQPWAVQOFWCI-MGPQQGTHSA-N 2 0 240.391 1.776 20 30 BDEDRP C[NH+]1CCC(C)(C[NH+]2CC(CC#N)C2)CC1 ZINC001208105493 969003987 /nfs/dbraw/zinc/00/39/87/969003987.db2.gz VZJGELYIPLXFED-UHFFFAOYSA-N 2 0 221.348 1.564 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253609565 969310991 /nfs/dbraw/zinc/31/09/91/969310991.db2.gz VOPPQGRASHDIJK-RVMXOQNASA-N 2 0 224.348 1.138 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCS)C2 ZINC001169096488 969388697 /nfs/dbraw/zinc/38/86/97/969388697.db2.gz XKQAEOVIYRKQTR-OWUUHHOZSA-N 2 0 200.351 1.131 20 30 BDEDRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254656191 969765061 /nfs/dbraw/zinc/76/50/61/969765061.db2.gz IXIOYCVQNUJCDJ-GRYCIOLGSA-N 2 0 207.321 1.220 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254674188 969780876 /nfs/dbraw/zinc/78/08/76/969780876.db2.gz VKRBAIQSTXRSBU-OLZOCXBDSA-N 2 0 233.359 1.706 20 30 BDEDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC001254678995 969786212 /nfs/dbraw/zinc/78/62/12/969786212.db2.gz JHOABRATLJUZEM-REWJHTLYSA-N 2 0 233.359 1.562 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001327416178 972571464 /nfs/dbraw/zinc/57/14/64/972571464.db2.gz PNEWPCNZYKDSBO-MGPQQGTHSA-N 2 0 238.375 1.651 20 30 BDEDRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001246550425 972708834 /nfs/dbraw/zinc/70/88/34/972708834.db2.gz JNENWMBHFMQUFB-XQQFMLRXSA-N 2 0 221.348 1.882 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246567396 972817379 /nfs/dbraw/zinc/81/73/79/972817379.db2.gz KSOBIPLQEVTRNU-FRRDWIJNSA-N 2 0 223.364 1.985 20 30 BDEDRP C[N@@H+]1CCC[C@H]1CO[C@H](CC#N)C[N+](C)(C)C ZINC001224817673 973999422 /nfs/dbraw/zinc/99/94/22/973999422.db2.gz XDDWBLWOEXSIEN-QWHCGFSZSA-N 2 0 240.371 1.086 20 30 BDEDRP C=CCCC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156697 974332939 /nfs/dbraw/zinc/33/29/39/974332939.db2.gz SCGYBMNVRSCLTG-GHMZBOCLSA-N 2 0 200.301 1.714 20 30 BDEDRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)CCCC#N)C[C@H]2C1 ZINC001172500896 974853504 /nfs/dbraw/zinc/85/35/04/974853504.db2.gz CCHLSHNGXPIYAT-MGPQQGTHSA-N 2 0 235.375 1.952 20 30 BDEDRP C[C@@H](C[NH3+])C[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173590475 975441612 /nfs/dbraw/zinc/44/16/12/975441612.db2.gz JZJMOXWMASCISF-HIFPTAJRSA-N 2 0 223.364 1.985 20 30 BDEDRP N#Cc1cncc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC000721583036 977496032 /nfs/dbraw/zinc/49/60/32/977496032.db2.gz ZOJRLZUKOWMBAH-LBPRGKRZSA-N 2 0 244.342 1.514 20 30 BDEDRP N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2cncn2C1 ZINC001336726899 977884751 /nfs/dbraw/zinc/88/47/51/977884751.db2.gz FZVZFUBGELMKPC-NEPJUHHUSA-N 2 0 243.314 1.231 20 30 BDEDRP CC(C)[N@@H+]1CC[C@@H](CNC[C@H](C#N)CCC#N)C1 ZINC001336763767 977933200 /nfs/dbraw/zinc/93/32/00/977933200.db2.gz RSTPMRFANYYFGE-KBPBESRZSA-N 2 0 248.374 1.750 20 30 BDEDRP C#CC[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC001337680202 978458474 /nfs/dbraw/zinc/45/84/74/978458474.db2.gz VDTAHERKLYIXNA-UHFFFAOYSA-N 2 0 215.300 1.013 20 30 BDEDRP C[NH2+][C@@]12CC[C@@]([NH2+]CCCC#N)(C1)CCC2 ZINC001277943275 979040059 /nfs/dbraw/zinc/04/00/59/979040059.db2.gz QSSSBJGHYRBXKW-QWHCGFSZSA-N 2 0 221.348 1.945 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001340906410 979151777 /nfs/dbraw/zinc/15/17/77/979151777.db2.gz CBQIMYBEQMSOTH-CYBMUJFWSA-N 2 0 247.342 1.767 20 30 BDEDRP C=CC[NH2+]CCN(C)C1CCC([NH2+]C)CC1 ZINC001236212111 979455778 /nfs/dbraw/zinc/45/57/78/979455778.db2.gz DKMWTIDQFDSGQF-UHFFFAOYSA-N 2 0 225.380 1.224 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC001341673218 979519637 /nfs/dbraw/zinc/51/96/37/979519637.db2.gz ZKWQIEBVMQLGKA-VXGBXAGGSA-N 2 0 241.379 1.126 20 30 BDEDRP C#CCCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314983 979525395 /nfs/dbraw/zinc/52/53/95/979525395.db2.gz UBXKERINJLXENK-BETUJISGSA-N 2 0 206.333 1.331 20 30 BDEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC)CC1 ZINC001201587687 983350084 /nfs/dbraw/zinc/35/00/84/983350084.db2.gz VUITWEFXZQKEMH-UHFFFAOYSA-N 2 0 237.391 1.298 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001252575120 983829505 /nfs/dbraw/zinc/82/95/05/983829505.db2.gz VKAMSEDLWCJPJX-KGLIPLIRSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001253611686 986288772 /nfs/dbraw/zinc/28/87/72/986288772.db2.gz SNEQCVPGUQBBSY-AGIUHOORSA-N 2 0 226.364 1.242 20 30 BDEDRP C#C[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001462216896 986312423 /nfs/dbraw/zinc/31/24/23/986312423.db2.gz FCIZDLROINAMGC-LLVKDONJSA-N 2 0 226.283 1.379 20 30 BDEDRP Cn1ncc(C[NH3+])c1C[NH+]1CCC(CC#N)CC1 ZINC001580002416 986404077 /nfs/dbraw/zinc/40/40/77/986404077.db2.gz RUEGRLBDFZMBNP-UHFFFAOYSA-N 2 0 247.346 1.004 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001580040554 986451654 /nfs/dbraw/zinc/45/16/54/986451654.db2.gz LAXMAYWPJVYDTP-IGQOVBAYSA-N 2 0 233.359 1.800 20 30 BDEDRP N#Cc1ccc(C[NH2+]C2CC(CC[NH3+])C2)s1 ZINC001580065479 986511822 /nfs/dbraw/zinc/51/18/22/986511822.db2.gz JCYIZMGPPCPZAC-UHFFFAOYSA-N 2 0 235.356 1.837 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245973711 987250572 /nfs/dbraw/zinc/25/05/72/987250572.db2.gz KKNVKXQTDSGFCR-AVGNSLFASA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014818 987294763 /nfs/dbraw/zinc/29/47/63/987294763.db2.gz DIBTYUQJOVEFJB-SRVKXCTJSA-N 2 0 212.337 1.125 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018322 987302011 /nfs/dbraw/zinc/30/20/11/987302011.db2.gz AUSIFEIIDPXLSN-STQMWFEESA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021576 987307814 /nfs/dbraw/zinc/30/78/14/987307814.db2.gz KQTOBTUQYMICQC-RDBSUJKOSA-N 2 0 240.391 1.620 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019465 987308162 /nfs/dbraw/zinc/30/81/62/987308162.db2.gz FKOUWPFWEXXWRQ-KGLIPLIRSA-N 2 0 240.391 1.764 20 30 BDEDRP C#CC(CC)(CC)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246070502 987355861 /nfs/dbraw/zinc/35/58/61/987355861.db2.gz BXYJVVRIQWGEQA-NEPJUHHUSA-N 2 0 208.349 1.909 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246102178 987424021 /nfs/dbraw/zinc/42/40/21/987424021.db2.gz RNUWXMZYRGBAFE-RWMBFGLXSA-N 2 0 223.364 1.904 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001246116783 987459024 /nfs/dbraw/zinc/45/90/24/987459024.db2.gz WWOQSYBYQPSEFG-NELGMTEASA-N 2 0 235.375 1.904 20 30 BDEDRP C#Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246267215 987661890 /nfs/dbraw/zinc/66/18/90/987661890.db2.gz RLSIDBPFUYFFOV-UHFFFAOYSA-N 2 0 214.312 1.510 20 30 BDEDRP N#CCC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246442906 987795843 /nfs/dbraw/zinc/79/58/43/987795843.db2.gz FCDSPUIEZIYFKH-MCIGGMRASA-N 2 0 219.332 1.410 20 30 BDEDRP CC[C@H](CC#N)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246555444 987965935 /nfs/dbraw/zinc/96/59/35/987965935.db2.gz FEXHKZXBRXEYMK-RWMBFGLXSA-N 2 0 223.364 1.985 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616720 988253242 /nfs/dbraw/zinc/25/32/42/988253242.db2.gz DAESAMLZGXFIFT-IHRRRGAJSA-N 2 0 237.391 1.367 20 30 BDEDRP C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835936 988535382 /nfs/dbraw/zinc/53/53/82/988535382.db2.gz VXPHVZVIIXKDCZ-YHQUGGNUSA-N 2 0 233.359 1.893 20 30 BDEDRP C#CC1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246880143 988649242 /nfs/dbraw/zinc/64/92/42/988649242.db2.gz HIDCEAMZXHULRZ-YPMHNXCESA-N 2 0 206.333 1.472 20 30 BDEDRP C#CC1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246880139 988649459 /nfs/dbraw/zinc/64/94/59/988649459.db2.gz HIDCEAMZXHULRZ-AAEUAGOBSA-N 2 0 206.333 1.472 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540113 989738676 /nfs/dbraw/zinc/73/86/76/989738676.db2.gz BYQLNUBLEKRXLN-NEPJUHHUSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001258718347 991641462 /nfs/dbraw/zinc/64/14/62/991641462.db2.gz LXWNSFHJTDHBCQ-SNVBAGLBSA-N 2 0 212.341 1.194 20 30 BDEDRP C=CCC[C@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC001258726046 991667922 /nfs/dbraw/zinc/66/79/22/991667922.db2.gz PWEDTXZDZGSVHD-LBPRGKRZSA-N 2 0 240.395 1.797 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH2+]C ZINC001574901211 992941892 /nfs/dbraw/zinc/94/18/92/992941892.db2.gz BYABTVDVPUXVIQ-KGLIPLIRSA-N 2 0 240.391 1.778 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750231 398230246 /nfs/dbraw/zinc/23/02/46/398230246.db2.gz NBSCNIYAHNVEHT-JHJVBQTASA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H](CCC#N)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000602493881 349572819 /nfs/dbraw/zinc/57/28/19/349572819.db2.gz MTMKWHGNXKBTAI-IJLUTSLNSA-N 2 0 207.321 1.077 20 30 BDEDRP C[C@H](CCC#N)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602493883 349572948 /nfs/dbraw/zinc/57/29/48/349572948.db2.gz MTMKWHGNXKBTAI-UTUOFQBUSA-N 2 0 207.321 1.077 20 30 BDEDRP CN1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525690 349577675 /nfs/dbraw/zinc/57/76/75/349577675.db2.gz BRAPFFHXMULVQJ-WXRRBKDZSA-N 2 0 221.348 1.753 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CN1C1CC1 ZINC000349326194 136341889 /nfs/dbraw/zinc/34/18/89/136341889.db2.gz TVVFHYKZIVJVTC-VOAKCMCISA-N 2 0 233.359 1.893 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000580580597 365790043 /nfs/dbraw/zinc/79/00/43/365790043.db2.gz DHEYMDNQVXALJC-RVMXOQNASA-N 2 0 224.348 1.437 20 30 BDEDRP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000625704646 344049816 /nfs/dbraw/zinc/04/98/16/344049816.db2.gz ZFWZVPXBACERIF-OLZOCXBDSA-N 2 0 226.364 1.197 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000600712068 344361517 /nfs/dbraw/zinc/36/15/17/344361517.db2.gz VXKHTSIENHUNMP-RYUDHWBXSA-N 2 0 225.336 1.024 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000600712057 344361637 /nfs/dbraw/zinc/36/16/37/344361637.db2.gz VXKHTSIENHUNMP-NWDGAFQWSA-N 2 0 225.336 1.024 20 30 BDEDRP CC(C)(C#N)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283389 344516323 /nfs/dbraw/zinc/51/63/23/344516323.db2.gz ZFKSKUMUGZCZIL-TXEJJXNPSA-N 2 0 221.348 1.468 20 30 BDEDRP CC#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364514026 347461552 /nfs/dbraw/zinc/46/15/52/347461552.db2.gz OMRMHSJQEPENNG-RBSFLKMASA-N 2 0 232.371 1.816 20 30 BDEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1C[NH2+]C1 ZINC000591570999 347675956 /nfs/dbraw/zinc/67/59/56/347675956.db2.gz RMTOCLIVHQLILN-WDEREUQCSA-N 2 0 229.327 1.817 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000591576920 347676813 /nfs/dbraw/zinc/67/68/13/347676813.db2.gz PQTVUPVGGLHCQB-OLZOCXBDSA-N 2 0 221.348 1.658 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470784 347789364 /nfs/dbraw/zinc/78/93/64/347789364.db2.gz HJZKIZYWEPMCHS-FRRDWIJNSA-N 2 0 235.375 1.904 20 30 BDEDRP C[C@@]1(C#N)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000595888316 348389164 /nfs/dbraw/zinc/38/91/64/348389164.db2.gz XLEKSHTUXVKYMW-LBPRGKRZSA-N 2 0 207.321 1.222 20 30 BDEDRP N#Cc1ccc(CCN2CCC[C@H]([NH3+])C2)cc1 ZINC000595892897 348390989 /nfs/dbraw/zinc/39/09/89/348390989.db2.gz OUFQLNQPFJCMCS-AWEZNQCLSA-N 2 0 229.327 1.524 20 30 BDEDRP C#CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720014 259408506 /nfs/dbraw/zinc/40/85/06/259408506.db2.gz KEWRDKDNNXRDPS-OLZOCXBDSA-N 2 0 220.360 1.862 20 30 BDEDRP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336654285 191124146 /nfs/dbraw/zinc/12/41/46/191124146.db2.gz GNZJEQPRVOCEPG-UPJWGTAASA-N 2 0 223.364 1.997 20 30 BDEDRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336684601 350919821 /nfs/dbraw/zinc/91/98/21/350919821.db2.gz SVAQJNYYWNNJJL-QWHCGFSZSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336740145 352368562 /nfs/dbraw/zinc/36/85/62/352368562.db2.gz LZCWVUGFPBOCBN-AVGNSLFASA-N 2 0 226.364 1.101 20 30 BDEDRP C=CC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638608653 352447746 /nfs/dbraw/zinc/44/77/46/352447746.db2.gz GQTWKALZRLOPDG-GFCCVEGCSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C(C)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129268430 353313883 /nfs/dbraw/zinc/31/38/83/353313883.db2.gz JRZBWAZUOKEVFO-ZDUSSCGKSA-N 2 0 224.348 1.217 20 30 BDEDRP C=CC[C@@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393853468 353851319 /nfs/dbraw/zinc/85/13/19/353851319.db2.gz WVKQOUYSJXPEJQ-CHWSQXEVSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000234799762 363431479 /nfs/dbraw/zinc/43/14/79/363431479.db2.gz HJNWPQSTYBENQI-QWRGUYRKSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765956 356696885 /nfs/dbraw/zinc/69/68/85/356696885.db2.gz KVCMDBBYECNFRW-AWEZNQCLSA-N 2 0 240.391 1.731 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423152070 192591912 /nfs/dbraw/zinc/59/19/12/192591912.db2.gz FJEZTMBCVYVSLC-GMTAPVOTSA-N 2 0 200.326 1.029 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149862 357025559 /nfs/dbraw/zinc/02/55/59/357025559.db2.gz XHBDXWGQYNXCEW-UONOGXRCSA-N 2 0 229.327 1.775 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000360249242 134199341 /nfs/dbraw/zinc/19/93/41/134199341.db2.gz CFBITBDDKISDGH-CYBMUJFWSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCCC[C@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000398193119 357859391 /nfs/dbraw/zinc/85/93/91/357859391.db2.gz SDYPKTSWMQEWGS-JSGCOSHPSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000128873119 358581906 /nfs/dbraw/zinc/58/19/06/358581906.db2.gz AMYRKPKAHHTFOF-CHWSQXEVSA-N 2 0 226.364 1.197 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246410655 359078966 /nfs/dbraw/zinc/07/89/66/359078966.db2.gz MKVMGIKYMDQYPD-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578872961 366662884 /nfs/dbraw/zinc/66/28/84/366662884.db2.gz GOEUFJADQCGZTP-UHFFFAOYSA-N 2 0 238.375 1.389 20 30 BDEDRP C=C(Cl)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000306522407 360363933 /nfs/dbraw/zinc/36/39/33/360363933.db2.gz LTPHLHHCZCREKH-UWVGGRQHSA-N 2 0 200.713 1.423 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429680656 201125317 /nfs/dbraw/zinc/12/53/17/201125317.db2.gz IRCZAASWMDXNBE-MELADBBJSA-N 2 0 235.375 1.952 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429680655 201127962 /nfs/dbraw/zinc/12/79/62/201127962.db2.gz IRCZAASWMDXNBE-IHRRRGAJSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000629546509 361428676 /nfs/dbraw/zinc/42/86/76/361428676.db2.gz CZIBRLXVUTYXQM-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629588767 361478874 /nfs/dbraw/zinc/47/88/74/361478874.db2.gz OECLUHGMGXCPJJ-ZDUSSCGKSA-N 2 0 240.391 1.635 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367592553 367086924 /nfs/dbraw/zinc/08/69/24/367086924.db2.gz DBVLTAPJDFAWGN-MJBXVCDLSA-N 2 0 220.360 1.862 20 30 BDEDRP CC(C)(C)[C@@H](C[NH3+])NCc1ccc(C#N)o1 ZINC000600769306 369563764 /nfs/dbraw/zinc/56/37/64/369563764.db2.gz LZLDCKQSEAHYJR-LLVKDONJSA-N 2 0 221.304 1.614 20 30 BDEDRP C[C@@H]1C[C@H]([NH3+])CN1CCc1ccc(C#N)cc1 ZINC000601329709 369621206 /nfs/dbraw/zinc/62/12/06/369621206.db2.gz MMNBNVOAQKSTGS-RISCZKNCSA-N 2 0 229.327 1.522 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000424377774 206038466 /nfs/dbraw/zinc/03/84/66/206038466.db2.gz MYQOVBGDFXMHSC-RQJABVFESA-N 2 0 238.375 1.685 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000335024879 384009426 /nfs/dbraw/zinc/00/94/26/384009426.db2.gz HNRTTWVAKMXTKH-YGRLFVJLSA-N 2 0 247.317 1.785 20 30 BDEDRP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000423096821 384493541 /nfs/dbraw/zinc/49/35/41/384493541.db2.gz IEBFUTDAXDWQMW-WFASDCNBSA-N 2 0 243.354 1.688 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363710815 384723238 /nfs/dbraw/zinc/72/32/38/384723238.db2.gz FXITYPPRPSJNAE-HZSPNIEDSA-N 2 0 238.375 1.651 20 30 BDEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156557407 384877671 /nfs/dbraw/zinc/87/76/71/384877671.db2.gz GEUWTKGFIZKVNA-CHWSQXEVSA-N 2 0 217.316 1.789 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308839711 385212985 /nfs/dbraw/zinc/21/29/85/385212985.db2.gz JQNGPZJKCQWGQU-IJLUTSLNSA-N 2 0 209.337 1.608 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000309353383 385549536 /nfs/dbraw/zinc/54/95/36/385549536.db2.gz NNRXFYOQYBEZOZ-MNOVXSKESA-N 2 0 217.316 1.804 20 30 BDEDRP C#CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366888313 385987072 /nfs/dbraw/zinc/98/70/72/385987072.db2.gz UTHGKGRGFKSFOK-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000309431746 386374291 /nfs/dbraw/zinc/37/42/91/386374291.db2.gz MNKQIPGSECZGTQ-LLVKDONJSA-N 2 0 217.316 1.775 20 30 BDEDRP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975019 386549362 /nfs/dbraw/zinc/54/93/62/386549362.db2.gz HQHVOXJZQQRIRF-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNc1cc(C)ncc1C#N ZINC000399386090 386785178 /nfs/dbraw/zinc/78/51/78/386785178.db2.gz QKMCXMAPGMPJDA-ZDUSSCGKSA-N 2 0 244.342 1.580 20 30 BDEDRP C=CC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334969107 387053665 /nfs/dbraw/zinc/05/36/65/387053665.db2.gz NUSMDRCKQPLHPJ-STQMWFEESA-N 2 0 224.348 1.391 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357162 387208057 /nfs/dbraw/zinc/20/80/57/387208057.db2.gz HVWCBLIBTKDGQC-JHJVBQTASA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423408987 387246904 /nfs/dbraw/zinc/24/69/04/387246904.db2.gz YGRWHPJWWHOTNR-NDBYEHHHSA-N 2 0 221.348 1.656 20 30 BDEDRP C=CCN(Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000515301008 387361156 /nfs/dbraw/zinc/36/11/56/387361156.db2.gz CRASNPXQKJRHBT-UHFFFAOYSA-N 2 0 236.319 1.414 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423545601 387368286 /nfs/dbraw/zinc/36/82/86/387368286.db2.gz YBQXTYFECBGAKW-ZIAGYGMSSA-N 2 0 233.359 1.968 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422977489 387790160 /nfs/dbraw/zinc/79/01/60/387790160.db2.gz WUYVPDKCGDRMIV-VXGBXAGGSA-N 2 0 209.337 1.930 20 30 BDEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422979763 387790904 /nfs/dbraw/zinc/79/09/04/387790904.db2.gz NSTHVGQKPNMSCL-ZDUSSCGKSA-N 2 0 239.407 1.744 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423014368 387836099 /nfs/dbraw/zinc/83/60/99/387836099.db2.gz IENPUUOMOQUJEW-FRRDWIJNSA-N 2 0 226.364 1.149 20 30 BDEDRP CC1=CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854948 387851124 /nfs/dbraw/zinc/85/11/24/387851124.db2.gz PDPHMQGGYNTVFT-KGLIPLIRSA-N 2 0 233.359 1.920 20 30 BDEDRP CNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165021 387908517 /nfs/dbraw/zinc/90/85/17/387908517.db2.gz YQLXYQUGVDCUJJ-ZDUSSCGKSA-N 2 0 246.358 1.043 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423148985 387927373 /nfs/dbraw/zinc/92/73/73/387927373.db2.gz HCUKHSWUGLZMCW-TUUUFIMRSA-N 2 0 224.348 1.437 20 30 BDEDRP C=CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423201300 387987897 /nfs/dbraw/zinc/98/78/97/387987897.db2.gz IBCDCGFWNAURRE-CQSZACIVSA-N 2 0 237.391 1.226 20 30 BDEDRP C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000424364248 387990038 /nfs/dbraw/zinc/99/00/38/387990038.db2.gz DEZQIGMTQSUJRQ-TUAOUCFPSA-N 2 0 207.321 1.268 20 30 BDEDRP CC[NH+]1CCC(CC[NH2+]CCC#N)CC1 ZINC000517925337 256553767 /nfs/dbraw/zinc/55/37/67/256553767.db2.gz DUIIAEHMYPLNMF-UHFFFAOYSA-N 2 0 209.337 1.612 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449520366 388222563 /nfs/dbraw/zinc/22/25/63/388222563.db2.gz PBKQBXWXFIFZBV-RQJABVFESA-N 2 0 236.359 1.546 20 30 BDEDRP C=CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187011033 388604470 /nfs/dbraw/zinc/60/44/70/388604470.db2.gz HLSNXKBLSOCKJT-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423105537 388687794 /nfs/dbraw/zinc/68/77/94/388687794.db2.gz QRLFVJFXULYWGL-ZIAGYGMSSA-N 2 0 229.327 1.570 20 30 BDEDRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423198377 388688336 /nfs/dbraw/zinc/68/83/36/388688336.db2.gz FOOSBMLJKVOBDN-NSHDSACASA-N 2 0 217.316 1.818 20 30 BDEDRP N#CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960347 132343491 /nfs/dbraw/zinc/34/34/91/132343491.db2.gz LOSWKSOHWALMIU-UHFFFAOYSA-N 2 0 230.315 1.554 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@H](CCC[NH3+])COC ZINC000234738090 135043589 /nfs/dbraw/zinc/04/35/89/135043589.db2.gz HJNWPQSTYBENQI-WDEREUQCSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000339210738 135065906 /nfs/dbraw/zinc/06/59/06/135065906.db2.gz DXDQPVAKTURJOJ-ZDUSSCGKSA-N 2 0 224.348 1.217 20 30 BDEDRP CCCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264071060 135131035 /nfs/dbraw/zinc/13/10/35/135131035.db2.gz DEMQNRYUUHZPHO-UHFFFAOYSA-N 2 0 248.374 1.563 20 30 BDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261587043 135228560 /nfs/dbraw/zinc/22/85/60/135228560.db2.gz UTZUUDUAOVKXTP-SOUVJXGZSA-N 2 0 241.338 1.727 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000341363175 135236951 /nfs/dbraw/zinc/23/69/51/135236951.db2.gz GKYMTCVIPWPTTD-CYBMUJFWSA-N 2 0 240.391 1.633 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC2(C[NH+](C)C)CCCC2)N1 ZINC000262681940 135312934 /nfs/dbraw/zinc/31/29/34/135312934.db2.gz WOGQRLDGFPUHKO-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C[C@H]1C[NH+]=C(NC[C@H]2[N@H+](C)CCCC2(C)C)N1 ZINC000262679971 135313040 /nfs/dbraw/zinc/31/30/40/135313040.db2.gz VPZSPSNPDUCUSB-WDEREUQCSA-N 2 0 238.379 1.044 20 30 BDEDRP CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000265225934 135362365 /nfs/dbraw/zinc/36/23/65/135362365.db2.gz XTXYSJJZLVPCLG-CYBMUJFWSA-N 2 0 246.358 1.185 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000320975281 398034894 /nfs/dbraw/zinc/03/48/94/398034894.db2.gz HCMYQEWNFQDSBW-MJBXVCDLSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CC[C@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000651959237 409729500 /nfs/dbraw/zinc/72/95/00/409729500.db2.gz FFQSXJQZNVRWGG-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000665262880 410736986 /nfs/dbraw/zinc/73/69/86/410736986.db2.gz AVMOFENJFPCQLK-OLZOCXBDSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400930129 411163417 /nfs/dbraw/zinc/16/34/17/411163417.db2.gz OANDUIHKNAKTKU-ZDEQEGDKSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000310183820 411219074 /nfs/dbraw/zinc/21/90/74/411219074.db2.gz UVRRDIKRLGGZDW-MGPQQGTHSA-N 2 0 238.375 1.699 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000665263891 412206962 /nfs/dbraw/zinc/20/69/62/412206962.db2.gz XMQKFDVDZWKGLA-OLZOCXBDSA-N 2 0 226.364 1.829 20 30 BDEDRP C[NH+](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000045598280 172429107 /nfs/dbraw/zinc/42/91/07/172429107.db2.gz JTLTYRAHLKYRSJ-UHFFFAOYSA-N 2 0 231.343 1.990 20 30 BDEDRP C=CCC[C@H](O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000675496593 487741476 /nfs/dbraw/zinc/74/14/76/487741476.db2.gz USXRZUWARJARQZ-KBPBESRZSA-N 2 0 240.391 1.776 20 30 BDEDRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192593094 323228239 /nfs/dbraw/zinc/22/82/39/323228239.db2.gz IDNABUJZYZFTBG-RYUDHWBXSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000341888218 534401536 /nfs/dbraw/zinc/40/15/36/534401536.db2.gz QBHSTLOZGCGRJX-MELADBBJSA-N 2 0 240.391 1.491 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000261685928 534844924 /nfs/dbraw/zinc/84/49/24/534844924.db2.gz AOIIDWAHWYYVDO-GFCCVEGCSA-N 2 0 238.379 1.197 20 30 BDEDRP C#CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773537 526936080 /nfs/dbraw/zinc/93/60/80/526936080.db2.gz VIRQXZWCZAOSOY-UHFFFAOYSA-N 2 0 249.402 1.112 20 30 BDEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000264122841 536028599 /nfs/dbraw/zinc/02/85/99/536028599.db2.gz VHTUZPLYRBGGFP-UHFFFAOYSA-N 2 0 246.358 1.315 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000104166900 583152367 /nfs/dbraw/zinc/15/23/67/583152367.db2.gz CYFHRTRTZZKNCH-LBPRGKRZSA-N 2 0 238.379 1.341 20 30 BDEDRP C#C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000300848633 582610331 /nfs/dbraw/zinc/61/03/31/582610331.db2.gz DYWRAAGNZAJBSG-IHRRRGAJSA-N 2 0 220.360 1.861 20 30 BDEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000203023246 583962289 /nfs/dbraw/zinc/96/22/89/583962289.db2.gz AKIBHFRAORHAEP-NSHDSACASA-N 2 0 240.395 1.420 20 30 BDEDRP CCNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203011767 583962358 /nfs/dbraw/zinc/96/23/58/583962358.db2.gz PCMBKOVEPPNKBI-YPMHNXCESA-N 2 0 240.395 1.421 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902484178 584624935 /nfs/dbraw/zinc/62/49/35/584624935.db2.gz FFRLVBPHDAKMBE-BJDJZHNGSA-N 2 0 207.321 1.396 20 30 BDEDRP N#CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000903033532 584718381 /nfs/dbraw/zinc/71/83/81/584718381.db2.gz WRAFXLCGQFRRFN-CHWSQXEVSA-N 2 0 233.359 1.897 20 30 BDEDRP C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507120 584781681 /nfs/dbraw/zinc/78/16/81/584781681.db2.gz NSFGZDFSEMPGEQ-OKILXGFUSA-N 2 0 235.375 1.073 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903850539 584808019 /nfs/dbraw/zinc/80/80/19/584808019.db2.gz UFUVHWSXZUFZIF-CYBMUJFWSA-N 2 0 238.375 1.653 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@](C)(O)C[NH2+]C ZINC000903850712 584808358 /nfs/dbraw/zinc/80/83/58/584808358.db2.gz XSEDLAWTVJACJX-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C#CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000760861097 585400468 /nfs/dbraw/zinc/40/04/68/585400468.db2.gz APBUKRJRIMDYLK-STQMWFEESA-N 2 0 208.349 1.672 20 30 BDEDRP Cc1cc(C[NH2+][C@H]2CCN(C)C2)ccc1C#N ZINC000767692732 585524815 /nfs/dbraw/zinc/52/48/15/585524815.db2.gz YYHZYCPNSLXIDP-AWEZNQCLSA-N 2 0 229.327 1.660 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817963637 586854264 /nfs/dbraw/zinc/85/42/64/586854264.db2.gz WRACOCUEECHTFC-RYUDHWBXSA-N 2 0 247.342 1.834 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996036 588429156 /nfs/dbraw/zinc/42/91/56/588429156.db2.gz AMYPKYQLWAGSHJ-LLVKDONJSA-N 2 0 224.352 1.017 20 30 BDEDRP CC[NH+]1CCC(CNC(NC2CC2)=[NH+]C)CC1 ZINC000848996077 588429214 /nfs/dbraw/zinc/42/92/14/588429214.db2.gz DRKGEDGTBPZGKX-UHFFFAOYSA-N 2 0 238.379 1.046 20 30 BDEDRP C=CCNC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000848998347 588429849 /nfs/dbraw/zinc/42/98/49/588429849.db2.gz YEYAGJFHOIQEDT-UHFFFAOYSA-N 2 0 240.395 1.798 20 30 BDEDRP CC(C)[NH+](CCCNC1=[NH+]CCN1C)C(C)C ZINC000849010889 588435006 /nfs/dbraw/zinc/43/50/06/588435006.db2.gz RITNIYDHXLFANY-UHFFFAOYSA-N 2 0 240.395 1.386 20 30 BDEDRP CN1CCC[NH+]=C1NCCCC[N@H+](C)C1CC1 ZINC000849039671 588447168 /nfs/dbraw/zinc/44/71/68/588447168.db2.gz MHKOGZSVNJPCAS-UHFFFAOYSA-N 2 0 238.379 1.142 20 30 BDEDRP C[NH+]=C(NCC[C@H]1CCC[N@H+](C)C1)NC1CC1 ZINC000849041047 588448076 /nfs/dbraw/zinc/44/80/76/588448076.db2.gz IQKBMLYJYMDVKN-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C=C(Cl)C[C@H](N)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000871788430 589818383 /nfs/dbraw/zinc/81/83/83/589818383.db2.gz KYGWHECQJWBSOJ-JGVFFNPUSA-N 2 0 242.710 1.637 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000876539627 590212277 /nfs/dbraw/zinc/21/22/77/590212277.db2.gz NNMZKSHNKMTGFE-SECBINFHSA-N 2 0 247.770 1.090 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001054 590673877 /nfs/dbraw/zinc/67/38/77/590673877.db2.gz OEMIARWSXBPHDK-KGLIPLIRSA-N 2 0 240.391 1.994 20 30 BDEDRP C#CCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473966 591054314 /nfs/dbraw/zinc/05/43/14/591054314.db2.gz RLZRSTMYZBYFRR-UHFFFAOYSA-N 2 0 220.360 1.960 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129981441 591426522 /nfs/dbraw/zinc/42/65/22/591426522.db2.gz BNBNARCWVHBWFK-QWHCGFSZSA-N 2 0 238.400 1.569 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000883390561 591642430 /nfs/dbraw/zinc/64/24/30/591642430.db2.gz PDTPMPGBNYMHOA-JSGCOSHPSA-N 2 0 240.391 1.633 20 30 BDEDRP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000886365295 592217257 /nfs/dbraw/zinc/21/72/57/592217257.db2.gz FMPKPWMWTVYCGU-UONOGXRCSA-N 2 0 238.375 1.033 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000104191562 592604674 /nfs/dbraw/zinc/60/46/74/592604674.db2.gz YNRCZLWNKRJHDH-UHFFFAOYSA-N 2 0 228.384 1.373 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925708365 634400191 /nfs/dbraw/zinc/40/01/91/634400191.db2.gz RQCUYTAQGPJVHB-SDDRHHMPSA-N 2 0 224.348 1.308 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303385369 635610397 /nfs/dbraw/zinc/61/03/97/635610397.db2.gz VNAHSAPNOVPSJG-VXGBXAGGSA-N 2 0 240.395 1.421 20 30 BDEDRP CN1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@]2(C)C1 ZINC000933732529 631495031 /nfs/dbraw/zinc/49/50/31/631495031.db2.gz RAHZRJHKRYFSMI-CRWXNKLISA-N 2 0 233.359 1.562 20 30 BDEDRP C[C@H]([NH2+]CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000129184895 632422066 /nfs/dbraw/zinc/42/20/66/632422066.db2.gz CWUBKTZICMUOPA-NSHDSACASA-N 2 0 223.364 1.856 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000258973207 635230691 /nfs/dbraw/zinc/23/06/91/635230691.db2.gz TURNDKCTGJLSNG-UHFFFAOYSA-N 2 0 207.321 1.222 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000303987738 636321524 /nfs/dbraw/zinc/32/15/24/636321524.db2.gz JLGXJUKTEZGXKP-MNOVXSKESA-N 2 0 226.368 1.031 20 30 BDEDRP C[C@H](CCNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000305795818 636333210 /nfs/dbraw/zinc/33/32/10/636333210.db2.gz AGSOXRRLZVLYQE-LLVKDONJSA-N 2 0 226.368 1.127 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902367659 637295202 /nfs/dbraw/zinc/29/52/02/637295202.db2.gz DQZCUQYVLRAJCC-ZDUSSCGKSA-N 2 0 240.391 1.947 20 30 BDEDRP C=C(C)[C@H](CO)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721604 640339346 /nfs/dbraw/zinc/33/93/46/640339346.db2.gz RRSNHHWVOPQJQW-XQQFMLRXSA-N 2 0 224.348 1.092 20 30 BDEDRP C=C(C)[C@@H](CO)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931721605 640341581 /nfs/dbraw/zinc/34/15/81/640341581.db2.gz RRSNHHWVOPQJQW-YNEHKIRRSA-N 2 0 224.348 1.092 20 30 BDEDRP C=C(Cl)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167658582 640736697 /nfs/dbraw/zinc/73/66/97/640736697.db2.gz XMGXVPXJYPFWIP-SCZZXKLOSA-N 2 0 202.729 1.656 20 30 BDEDRP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229547430 640966524 /nfs/dbraw/zinc/96/65/24/640966524.db2.gz UCIWJQDOYKMUTE-FRRDWIJNSA-N 2 0 206.333 1.615 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@H](O)CN(C)CC ZINC000934644583 641227923 /nfs/dbraw/zinc/22/79/23/641227923.db2.gz FYAYRTDVWBJFFF-CYBMUJFWSA-N 2 0 228.380 1.587 20 30 BDEDRP c1nncn1[NH+]=C1CC[NH+](C2CCCC2)CC1 ZINC000917529335 642080948 /nfs/dbraw/zinc/08/09/48/642080948.db2.gz MUCSXMPDBMWMRB-UHFFFAOYSA-N 2 0 233.319 1.521 20 30 BDEDRP c1nncn1[NH+]=C1CC[NH+](C2CCCCC2)CC1 ZINC000920360078 642481847 /nfs/dbraw/zinc/48/18/47/642481847.db2.gz UPDMZGRIANWEHW-UHFFFAOYSA-N 2 0 247.346 1.911 20 30 BDEDRP C[C@@H](CCNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000305795819 642695618 /nfs/dbraw/zinc/69/56/18/642695618.db2.gz AGSOXRRLZVLYQE-NSHDSACASA-N 2 0 226.368 1.127 20 30 BDEDRP CC(C)C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C ZINC000305829379 642703235 /nfs/dbraw/zinc/70/32/35/642703235.db2.gz SOSJGXQPCUTOMO-GFCCVEGCSA-N 2 0 240.395 1.372 20 30 BDEDRP C[C@H](CCNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000181378268 642867594 /nfs/dbraw/zinc/86/75/94/642867594.db2.gz SYALWGPPJRXZEG-LLVKDONJSA-N 2 0 238.379 1.318 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923337000 644357522 /nfs/dbraw/zinc/35/75/22/644357522.db2.gz WGPBVRCGXPMAAM-ZIAGYGMSSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923383594 644396745 /nfs/dbraw/zinc/39/67/45/644396745.db2.gz UMKUGIQANBENNY-XUXIUFHCSA-N 2 0 240.391 1.619 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923391381 644397131 /nfs/dbraw/zinc/39/71/31/644397131.db2.gz DXYBERNFLHZVRR-TUAOUCFPSA-N 2 0 212.337 1.125 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)CC)C1 ZINC000303267154 644813649 /nfs/dbraw/zinc/81/36/49/644813649.db2.gz WVRKBOAISNQEGX-VXGBXAGGSA-N 2 0 240.395 1.421 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)CC)C1 ZINC000303267149 644814109 /nfs/dbraw/zinc/81/41/09/644814109.db2.gz WVRKBOAISNQEGX-NEPJUHHUSA-N 2 0 240.395 1.421 20 30 BDEDRP CCNC(NC[C@H](C)[N@H+](C)C1CC1)=[NH+]CC ZINC000303410188 644822419 /nfs/dbraw/zinc/82/24/19/644822419.db2.gz WAEOUXRAVTYGGR-JTQLQIEISA-N 2 0 226.368 1.044 20 30 BDEDRP CC[NH+](CC)CCC[NH+]=C(N(C)C)N(C)C ZINC000303697182 644839352 /nfs/dbraw/zinc/83/93/52/644839352.db2.gz FNWUARPWMBUTEP-UHFFFAOYSA-N 2 0 228.384 1.198 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303724659 644842526 /nfs/dbraw/zinc/84/25/26/644842526.db2.gz ZVRNVOSDLHXTAK-NSHDSACASA-N 2 0 226.368 1.175 20 30 BDEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@H+](C)C1CC1 ZINC000303968353 644861144 /nfs/dbraw/zinc/86/11/44/644861144.db2.gz APPMLDUBSCZNKB-JTQLQIEISA-N 2 0 238.379 1.174 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925707399 646432857 /nfs/dbraw/zinc/43/28/57/646432857.db2.gz INLKGYTUCLZSFO-LBPRGKRZSA-N 2 0 224.348 1.453 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925769504 646471558 /nfs/dbraw/zinc/47/15/58/646471558.db2.gz FGMLXDGBBIFTFS-GRYCIOLGSA-N 2 0 212.337 1.173 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC#N ZINC000926132764 646582158 /nfs/dbraw/zinc/58/21/58/646582158.db2.gz OAELNIRELYGZJQ-FOSCPWQOSA-N 2 0 207.321 1.220 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cccc(O)c1 ZINC000392765684 711151178 /nfs/dbraw/zinc/15/11/78/711151178.db2.gz OFCZMUDDHWEQRY-UHFFFAOYSA-N 2 0 232.327 1.437 20 30 BDEDRP CCNC(NC[C@@H]1CCC[N@@H+]1CC)=[NH+]CC ZINC000066244972 711779722 /nfs/dbraw/zinc/77/97/22/711779722.db2.gz WGBZLBBUHSJXBK-NSHDSACASA-N 2 0 226.368 1.046 20 30 BDEDRP C=C(Cl)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724339 711893246 /nfs/dbraw/zinc/89/32/46/711893246.db2.gz MFKAXTLPOJXIIQ-JTQLQIEISA-N 2 0 202.729 1.800 20 30 BDEDRP C#CCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709842628 712229230 /nfs/dbraw/zinc/22/92/30/712229230.db2.gz NABBGGJDSILSRY-UHFFFAOYSA-N 2 0 208.349 1.816 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000692596174 960332903 /nfs/dbraw/zinc/33/29/03/960332903.db2.gz VSUMNCXXYBLROW-OLZOCXBDSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252615656 968875296 /nfs/dbraw/zinc/87/52/96/968875296.db2.gz CBAXCDLEPOLJQK-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP CC[NH+]1CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC001208595157 969150547 /nfs/dbraw/zinc/15/05/47/969150547.db2.gz QSXYHTGXLPPVOA-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CCOC1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC001173316966 975305433 /nfs/dbraw/zinc/30/54/33/975305433.db2.gz PZNIZRRXILMNCF-HIFPTAJRSA-N 2 0 226.364 1.685 20 30 BDEDRP C[C@@H](CC#N)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853148 970998575 /nfs/dbraw/zinc/99/85/75/970998575.db2.gz XDPGMTIOIHQOMN-LBPRGKRZSA-N 2 0 244.342 1.942 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405446393 971257932 /nfs/dbraw/zinc/25/79/32/971257932.db2.gz WTCBKSPSBPZGRC-NWDGAFQWSA-N 2 0 224.348 1.439 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405430012 971256191 /nfs/dbraw/zinc/25/61/91/971256191.db2.gz RVSJUGWFHURRQR-VXGBXAGGSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218206418 971626349 /nfs/dbraw/zinc/62/63/49/971626349.db2.gz BJUOATUQXYEBBR-ZDUSSCGKSA-N 2 0 218.300 1.442 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218211218 971631840 /nfs/dbraw/zinc/63/18/40/971631840.db2.gz SWXSMNMKAMYQLT-RRFJBIMHSA-N 2 0 244.338 1.798 20 30 BDEDRP C=C(C)CC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511344 971907150 /nfs/dbraw/zinc/90/71/50/971907150.db2.gz NUXDXPJZYGERJX-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP N#Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170899422 972058840 /nfs/dbraw/zinc/05/88/40/972058840.db2.gz BUZCUMNLGRKQFZ-GFCCVEGCSA-N 2 0 243.314 1.475 20 30 BDEDRP Cc1cc(C)c(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170901337 972062764 /nfs/dbraw/zinc/06/27/64/972062764.db2.gz ZMSWWDXPNUQFAZ-LLVKDONJSA-N 2 0 233.319 1.006 20 30 BDEDRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1CC#N ZINC001170900851 972069852 /nfs/dbraw/zinc/06/98/52/972069852.db2.gz QSCKWCTUJPWOPD-CYBMUJFWSA-N 2 0 232.331 1.497 20 30 BDEDRP C=C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246026645 972120948 /nfs/dbraw/zinc/12/09/48/972120948.db2.gz WPGCNMQCZGZYBP-AGIUHOORSA-N 2 0 226.364 1.230 20 30 BDEDRP C=C(C)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360759 966061995 /nfs/dbraw/zinc/06/19/95/966061995.db2.gz RQEYJOKYKAEDIH-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP Cn1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1C#N ZINC001205263874 967454907 /nfs/dbraw/zinc/45/49/07/967454907.db2.gz DOGIASGFRSGBID-AWEZNQCLSA-N 2 0 246.358 1.600 20 30 BDEDRP C#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206183075 968115201 /nfs/dbraw/zinc/11/52/01/968115201.db2.gz FIEBSHJYRKDVTH-CABCVRRESA-N 2 0 246.329 1.929 20 30 BDEDRP C=C[C@](C)(O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001252557510 968801403 /nfs/dbraw/zinc/80/14/03/968801403.db2.gz MUVXRWLYYHVYFQ-MCIONIFRSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252616935 968874802 /nfs/dbraw/zinc/87/48/02/968874802.db2.gz WERYYSXHPCGGAL-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC001208597759 969151653 /nfs/dbraw/zinc/15/16/53/969151653.db2.gz NHYWNPWHALQUMS-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001209162555 969361147 /nfs/dbraw/zinc/36/11/47/969361147.db2.gz IQWZEYIAHJBRJX-UHFFFAOYSA-N 2 0 225.380 1.132 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC(C#N)C1)C2 ZINC001169119342 969414200 /nfs/dbraw/zinc/41/42/00/969414200.db2.gz RPEYRFGGJFGUPX-SSYPOUIUSA-N 2 0 219.332 1.503 20 30 BDEDRP C#CCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209268950 969419523 /nfs/dbraw/zinc/41/95/23/969419523.db2.gz BVFIJXFMXHVCDC-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+]C2CC(C#N)C2)CC1 ZINC001254513088 969677943 /nfs/dbraw/zinc/67/79/43/969677943.db2.gz WUZWJJNBBUFCCN-CXQJBGSLSA-N 2 0 207.321 1.362 20 30 BDEDRP CCC[N@H+](CCC[NH3+])[C@@H]1CC[C@H](C#N)C1 ZINC001254636382 969752614 /nfs/dbraw/zinc/75/26/14/969752614.db2.gz KSNJZDVHMURSPB-NWDGAFQWSA-N 2 0 209.337 1.739 20 30 BDEDRP C#CC1([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255667808 970447258 /nfs/dbraw/zinc/44/72/58/970447258.db2.gz AHDCPFXDMXLWNF-YHWZYXNKSA-N 2 0 218.344 1.757 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246567410 972818001 /nfs/dbraw/zinc/81/80/01/972818001.db2.gz KSOBIPLQEVTRNU-RWMBFGLXSA-N 2 0 223.364 1.985 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171191841 972838638 /nfs/dbraw/zinc/83/86/38/972838638.db2.gz GQDARHIMQWBZQA-VXGBXAGGSA-N 2 0 231.343 1.674 20 30 BDEDRP C=C(C)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360646 973832587 /nfs/dbraw/zinc/83/25/87/973832587.db2.gz YWDABBWFAGMUKU-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C#C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112083 974374472 /nfs/dbraw/zinc/37/44/72/974374472.db2.gz STXGJKCCSNUGDK-LPWJVIDDSA-N 2 0 206.333 1.613 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172308336 974517062 /nfs/dbraw/zinc/51/70/62/974517062.db2.gz JTQYTEPOHYZNKY-TUKIKUTGSA-N 2 0 243.354 1.959 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC([NH3+])C1 ZINC001172296889 974564528 /nfs/dbraw/zinc/56/45/28/974564528.db2.gz JVEWIWPPOAXBCO-FNBIGBAISA-N 2 0 229.327 1.569 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172478803 974777982 /nfs/dbraw/zinc/77/79/82/974777982.db2.gz DSKDVZASMVYJEY-GRYCIOLGSA-N 2 0 209.337 1.928 20 30 BDEDRP C=CCOC1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173313233 975225536 /nfs/dbraw/zinc/22/55/36/975225536.db2.gz SBGUKPBSXVUPDF-HSBZDZAISA-N 2 0 238.375 1.923 20 30 BDEDRP C=C[C@@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC001334218106 976375938 /nfs/dbraw/zinc/37/59/38/976375938.db2.gz RIIXIVCEIZKNBK-LBPRGKRZSA-N 2 0 212.337 1.119 20 30 BDEDRP C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+](C)C ZINC001335955483 977386610 /nfs/dbraw/zinc/38/66/10/977386610.db2.gz VKQGWYRTHLINHQ-NEPJUHHUSA-N 2 0 241.379 1.217 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001340512771 979032765 /nfs/dbraw/zinc/03/27/65/979032765.db2.gz GCHGEVQTACOJDM-IJLUTSLNSA-N 2 0 239.363 1.056 20 30 BDEDRP N#Cc1ccc(CC2CCN(CC[NH3+])CC2)cc1 ZINC001235787933 979149593 /nfs/dbraw/zinc/14/95/93/979149593.db2.gz ACYGYAXYGZKBMY-UHFFFAOYSA-N 2 0 243.354 1.771 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC001341632986 979498838 /nfs/dbraw/zinc/49/88/38/979498838.db2.gz ZOPUINPFVDYKLM-LBPRGKRZSA-N 2 0 241.379 1.128 20 30 BDEDRP C=CC[NH2+]CCN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604014 981175311 /nfs/dbraw/zinc/17/53/11/981175311.db2.gz UDQBGPRCMQRYJB-OLZOCXBDSA-N 2 0 225.380 1.069 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001252585932 983835485 /nfs/dbraw/zinc/83/54/85/983835485.db2.gz VZJRXQQLAKFKGV-RDBSUJKOSA-N 2 0 240.391 1.632 20 30 BDEDRP C#CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000686675498 985196950 /nfs/dbraw/zinc/19/69/50/985196950.db2.gz VDEOSHKKLYTTOM-BETUJISGSA-N 2 0 206.333 1.331 20 30 BDEDRP C=CCC[C@@H](C)N(CC[NH3+])CC[NH+](CC)CC ZINC001258720195 986049301 /nfs/dbraw/zinc/04/93/01/986049301.db2.gz UGCQWYYTSWMDQK-CQSZACIVSA-N 2 0 241.423 1.944 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001253608262 986271208 /nfs/dbraw/zinc/27/12/08/986271208.db2.gz KWDXDVLKLXPFFB-CQSZACIVSA-N 2 0 238.375 1.530 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC001580056456 986491634 /nfs/dbraw/zinc/49/16/34/986491634.db2.gz RRSIYYNOHNOHFN-QJPTWQEYSA-N 2 0 207.321 1.268 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001462671775 986500395 /nfs/dbraw/zinc/50/03/95/986500395.db2.gz SFOOHNDEIIZNBV-XJFOESAGSA-N 2 0 235.375 1.856 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245993240 987272025 /nfs/dbraw/zinc/27/20/25/987272025.db2.gz NHSNCWJGSSOISB-AGIUHOORSA-N 2 0 226.364 1.149 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245993244 987273729 /nfs/dbraw/zinc/27/37/29/987273729.db2.gz NHSNCWJGSSOISB-UPJWGTAASA-N 2 0 226.364 1.149 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246017904 987299749 /nfs/dbraw/zinc/29/97/49/987299749.db2.gz CQMDQMVGABJSCJ-VXGBXAGGSA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017609 987303818 /nfs/dbraw/zinc/30/38/18/987303818.db2.gz RYCSTMLHJVFSRQ-VXGBXAGGSA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246035180 987335043 /nfs/dbraw/zinc/33/50/43/987335043.db2.gz YQYBLXRNLJQANB-SDDRHHMPSA-N 2 0 230.327 1.075 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246032850 987337156 /nfs/dbraw/zinc/33/71/56/987337156.db2.gz UKDAXYFVAWKICB-IHRRRGAJSA-N 2 0 240.391 1.620 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001246120665 987467627 /nfs/dbraw/zinc/46/76/27/987467627.db2.gz NBRJDJUFQLKIDL-UPJWGTAASA-N 2 0 223.364 1.904 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246130564 987476343 /nfs/dbraw/zinc/47/63/43/987476343.db2.gz HYZLHKALAXQXPL-HTAVTVPLSA-N 2 0 219.332 1.410 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246197994 987591270 /nfs/dbraw/zinc/59/12/70/987591270.db2.gz NCFSMWVAVBYVRV-VXGBXAGGSA-N 2 0 209.337 1.658 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC001246216869 987614606 /nfs/dbraw/zinc/61/46/06/987614606.db2.gz RRSIYYNOHNOHFN-SDDRHHMPSA-N 2 0 207.321 1.268 20 30 BDEDRP C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246267911 987662564 /nfs/dbraw/zinc/66/25/64/987662564.db2.gz SWQHZPDZSRPBOS-ZGVCCVRISA-N 2 0 206.333 1.661 20 30 BDEDRP C(#Cc1ccccc1)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246286310 987678988 /nfs/dbraw/zinc/67/89/88/987678988.db2.gz KUGWYXHJHUSNHG-XYPWUTKMSA-N 2 0 240.350 1.911 20 30 BDEDRP C=CCOC1CCC([N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246527030 987881544 /nfs/dbraw/zinc/88/15/44/987881544.db2.gz DCAQMHJBZMDQES-JXQTWKCFSA-N 2 0 238.375 1.923 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540359 987905048 /nfs/dbraw/zinc/90/50/48/987905048.db2.gz DNLPUGCYCHMQNG-CHWSQXEVSA-N 2 0 239.363 1.244 20 30 BDEDRP N#CC1CCC([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246548125 987936490 /nfs/dbraw/zinc/93/64/90/987936490.db2.gz RALMOEUKGJHFFO-OTTFEQOBSA-N 2 0 221.348 1.882 20 30 BDEDRP CC1(C#N)CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246637000 988329657 /nfs/dbraw/zinc/32/96/57/988329657.db2.gz IIRMIVIOHBUPJZ-CEUNDQEZSA-N 2 0 233.359 1.895 20 30 BDEDRP C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835933 988531736 /nfs/dbraw/zinc/53/17/36/988531736.db2.gz VXPHVZVIIXKDCZ-POQQGIQPSA-N 2 0 233.359 1.893 20 30 BDEDRP N#CCC1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246856400 988578453 /nfs/dbraw/zinc/57/84/53/988578453.db2.gz XAKOJOUFZONXRG-FKZOYECMSA-N 2 0 233.359 1.882 20 30 BDEDRP C=CCCCC[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246868610 988625499 /nfs/dbraw/zinc/62/54/99/988625499.db2.gz BJKPXNPRYLNGQW-ZDUSSCGKSA-N 2 0 237.391 1.369 20 30 BDEDRP N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932064 988764419 /nfs/dbraw/zinc/76/44/19/988764419.db2.gz PEGYSYFXMIJCIZ-FQUUOJAGSA-N 2 0 233.359 1.610 20 30 BDEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)CC3)[C@H]2C1 ZINC001561052653 991704976 /nfs/dbraw/zinc/70/49/76/991704976.db2.gz HLXRLVNBGSIEDB-HAGFKGRBSA-N 2 0 247.386 1.999 20 30 BDEDRP C=CCO[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001261482106 992332563 /nfs/dbraw/zinc/33/25/63/992332563.db2.gz ATITXBWTXGWEES-ZDUSSCGKSA-N 2 0 224.348 1.263 20 30 BDEDRP N#Cc1ccc(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC001574245276 992828272 /nfs/dbraw/zinc/82/82/72/992828272.db2.gz JTRCXORFRSMKJK-UHFFFAOYSA-N 2 0 235.356 1.709 20 30 BDEDRP C=C(C)CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001574834467 992924351 /nfs/dbraw/zinc/92/43/51/992924351.db2.gz CGDOQNDTVBWIRB-KGLIPLIRSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(C)[C@H](CO)[NH2+][C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001574830766 992925806 /nfs/dbraw/zinc/92/58/06/992925806.db2.gz KOBPRFYYFILFKB-WUHRBBMRSA-N 2 0 238.375 1.290 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001574960698 992950102 /nfs/dbraw/zinc/95/01/02/992950102.db2.gz UCOHILFHZXFPSE-GUBZILKMSA-N 2 0 234.290 1.150 20 30 BDEDRP CC1(C)[C@H]([NH2+]CCCC#N)[C@H]2CCC[NH2+][C@H]21 ZINC001576380367 993287413 /nfs/dbraw/zinc/28/74/13/993287413.db2.gz PEENDCLRBNDGOF-IJLUTSLNSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000602546494 349589646 /nfs/dbraw/zinc/58/96/46/349589646.db2.gz DJCZJVJYAYGOQT-OLZOCXBDSA-N 2 0 223.364 1.858 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H](C)CC[NH+](C)C ZINC000602535631 349602899 /nfs/dbraw/zinc/60/28/99/349602899.db2.gz VRIWWFLIQNSJNC-VXGBXAGGSA-N 2 0 211.353 1.856 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000231798702 342693830 /nfs/dbraw/zinc/69/38/30/342693830.db2.gz FFXDUDCHTCLTSS-VXGBXAGGSA-N 2 0 212.337 1.439 20 30 BDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602670617 349665921 /nfs/dbraw/zinc/66/59/21/349665921.db2.gz AFESIRMOVIFWDN-ZIAGYGMSSA-N 2 0 235.375 1.954 20 30 BDEDRP C[NH+](C)C[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602789374 349752277 /nfs/dbraw/zinc/75/22/77/349752277.db2.gz ZUSRETKOOFTUAB-LBPRGKRZSA-N 2 0 221.348 1.564 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000034566754 136302043 /nfs/dbraw/zinc/30/20/43/136302043.db2.gz FUJRFKWLRTXOMB-CQSZACIVSA-N 2 0 229.327 1.729 20 30 BDEDRP C[NH2+]C[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000071145582 343622027 /nfs/dbraw/zinc/62/20/27/343622027.db2.gz NMTDUVBKBXNPHQ-GFCCVEGCSA-N 2 0 229.327 1.600 20 30 BDEDRP C[NH+](C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000258738165 344495458 /nfs/dbraw/zinc/49/54/58/344495458.db2.gz NFEGOWZCVSDMID-UHFFFAOYSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309818096 347175109 /nfs/dbraw/zinc/17/51/09/347175109.db2.gz VSMRCPBWBJDGQT-RWMBFGLXSA-N 2 0 226.364 1.243 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000591570750 347675868 /nfs/dbraw/zinc/67/58/68/347675868.db2.gz IPSZTQRMYVLKNU-RISCZKNCSA-N 2 0 247.317 1.914 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000591580000 347677654 /nfs/dbraw/zinc/67/76/54/347677654.db2.gz FHGAOFCYOIUALE-FRRDWIJNSA-N 2 0 233.359 1.800 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470788 347789323 /nfs/dbraw/zinc/78/93/23/347789323.db2.gz HMIFOPVRNQEOTE-FRRDWIJNSA-N 2 0 221.348 1.658 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470790 347790133 /nfs/dbraw/zinc/79/01/33/347790133.db2.gz HMIFOPVRNQEOTE-RWMBFGLXSA-N 2 0 221.348 1.658 20 30 BDEDRP N#Cc1ccc(C2([NH2+]CCC[NH3+])CCC2)cc1 ZINC000594581074 348076346 /nfs/dbraw/zinc/07/63/46/348076346.db2.gz KBRLGFROOUVVRW-UHFFFAOYSA-N 2 0 229.327 1.876 20 30 BDEDRP N#CCC[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000596066305 348436677 /nfs/dbraw/zinc/43/66/77/348436677.db2.gz CBTZPUHIZCQGMT-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596647767 348604596 /nfs/dbraw/zinc/60/45/96/348604596.db2.gz BFQJONDLTIIQFN-NEPJUHHUSA-N 2 0 221.348 1.930 20 30 BDEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719217 349027081 /nfs/dbraw/zinc/02/70/81/349027081.db2.gz IJXZQBAEYOZDEW-NWDGAFQWSA-N 2 0 241.379 1.217 20 30 BDEDRP CC#CCN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336646692 350415838 /nfs/dbraw/zinc/41/58/38/350415838.db2.gz LCWLUPFKLVYQKP-QWHCGFSZSA-N 2 0 208.349 1.814 20 30 BDEDRP C[C@H](CCC#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000411178386 191167781 /nfs/dbraw/zinc/16/77/81/191167781.db2.gz XTLQQKOQTVSMRZ-GFCCVEGCSA-N 2 0 223.364 1.952 20 30 BDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccn1)C[NH+](C)C ZINC000291811866 352289778 /nfs/dbraw/zinc/28/97/78/352289778.db2.gz BPIHVLXXLPQCAR-JTQLQIEISA-N 2 0 235.335 1.006 20 30 BDEDRP C=C(C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161314557 538111628 /nfs/dbraw/zinc/11/16/28/538111628.db2.gz OJTLUCWLOXRANY-UHFFFAOYSA-N 2 0 217.316 1.780 20 30 BDEDRP C=CCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393854300 353851462 /nfs/dbraw/zinc/85/14/62/353851462.db2.gz QYTUPLAAXAXPMJ-ZDUSSCGKSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334541163 353975508 /nfs/dbraw/zinc/97/55/08/353975508.db2.gz SVHSRCNZYQJNJW-STQMWFEESA-N 2 0 208.349 1.979 20 30 BDEDRP CC#CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877217 354347270 /nfs/dbraw/zinc/34/72/70/354347270.db2.gz AHLTWPFRUHJZOE-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1C#N ZINC000415025745 191656168 /nfs/dbraw/zinc/65/61/68/191656168.db2.gz RMYKFXSOANRQFR-NSHDSACASA-N 2 0 247.342 1.784 20 30 BDEDRP C[N@@H+]1CC[C@H]2CCN(CCCC#N)[C@@H]2C1 ZINC000361107543 134203563 /nfs/dbraw/zinc/20/35/63/134203563.db2.gz QAXBLXHQDSLMTH-NWDGAFQWSA-N 2 0 207.321 1.316 20 30 BDEDRP C#CC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378272139 134245768 /nfs/dbraw/zinc/24/57/68/134245768.db2.gz MQDXNGBVOOIXRZ-UHFFFAOYSA-N 2 0 236.359 1.054 20 30 BDEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c(C)c1 ZINC000292826497 359299086 /nfs/dbraw/zinc/29/90/86/359299086.db2.gz PIRGWAJNGHOUIJ-UHFFFAOYSA-N 2 0 217.316 1.757 20 30 BDEDRP C=CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939562 366560780 /nfs/dbraw/zinc/56/07/80/366560780.db2.gz MYOLNWNUCXIFPK-UHFFFAOYSA-N 2 0 225.380 1.130 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578643291 366617893 /nfs/dbraw/zinc/61/78/93/366617893.db2.gz UCGLCQNVXNHGQB-CYDGBPFRSA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629392868 361042375 /nfs/dbraw/zinc/04/23/75/361042375.db2.gz VNLILKNIELNFDN-LLVKDONJSA-N 2 0 200.326 1.167 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629398802 361048647 /nfs/dbraw/zinc/04/86/47/361048647.db2.gz HUSZNRALJULENV-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@H](CCC[NH3+])COC ZINC000629510384 361108556 /nfs/dbraw/zinc/10/85/56/361108556.db2.gz RUAHULQKJAGHDX-GFCCVEGCSA-N 2 0 228.380 1.932 20 30 BDEDRP C=CCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595114 361482215 /nfs/dbraw/zinc/48/22/15/361482215.db2.gz NOICMYVIZFVFJT-BETUJISGSA-N 2 0 208.349 1.884 20 30 BDEDRP CCC[NH+]1CCC(C[NH2+]CCC#N)CC1 ZINC000574072142 364981411 /nfs/dbraw/zinc/98/14/11/364981411.db2.gz RACQGTINOVJEAO-UHFFFAOYSA-N 2 0 209.337 1.612 20 30 BDEDRP N#Cc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000600769637 369562576 /nfs/dbraw/zinc/56/25/76/369562576.db2.gz QEVQPMPUMWVAOV-CQSZACIVSA-N 2 0 245.326 1.727 20 30 BDEDRP N#Cc1cccc(C[NH2+]CCOCCC[NH3+])c1 ZINC000600771867 369564759 /nfs/dbraw/zinc/56/47/59/369564759.db2.gz BVNFZNSJZZEQGJ-UHFFFAOYSA-N 2 0 233.315 1.013 20 30 BDEDRP N#Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335024795 384011446 /nfs/dbraw/zinc/01/14/46/384011446.db2.gz FETPDNVALSRHTG-STQMWFEESA-N 2 0 233.290 1.667 20 30 BDEDRP C#CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000309583155 384157473 /nfs/dbraw/zinc/15/74/73/384157473.db2.gz UCZJHEUMOPLBKI-UHFFFAOYSA-N 2 0 215.300 1.591 20 30 BDEDRP C#CCC[N@@H+](C)[C@H]1CCC[NH+](CCC#C)CC1 ZINC000362455433 533044625 /nfs/dbraw/zinc/04/46/25/533044625.db2.gz PSVIPUMJOXLPPR-HNNXBMFYSA-N 2 0 232.371 1.819 20 30 BDEDRP C[C@@H](N[C@@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000235094923 384191848 /nfs/dbraw/zinc/19/18/48/384191848.db2.gz HCUXCGXEOZYIJL-VHSXEESVSA-N 2 0 203.289 1.556 20 30 BDEDRP C=C(CC)C[NH2+][C@@H](CCC[NH3+])COC ZINC000313503611 384433468 /nfs/dbraw/zinc/43/34/68/384433468.db2.gz LOEDXADYVUAUSA-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000422962298 384487626 /nfs/dbraw/zinc/48/76/26/384487626.db2.gz FFWBCHGZFYECLT-MNOVXSKESA-N 2 0 217.316 1.774 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000422962299 384488437 /nfs/dbraw/zinc/48/84/37/384488437.db2.gz FFWBCHGZFYECLT-QWRGUYRKSA-N 2 0 217.316 1.774 20 30 BDEDRP C[NH+](C)CCCC[NH2+]Cc1nc(C#N)cs1 ZINC000309978118 384986504 /nfs/dbraw/zinc/98/65/04/384986504.db2.gz UVAOGCURIDXDCW-UHFFFAOYSA-N 2 0 238.360 1.446 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@@H+]1C ZINC000156231118 385442849 /nfs/dbraw/zinc/44/28/49/385442849.db2.gz LIWALUVNSIVAMF-NEPJUHHUSA-N 2 0 209.337 1.753 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000309353381 385549102 /nfs/dbraw/zinc/54/91/02/385549102.db2.gz NNRXFYOQYBEZOZ-GHMZBOCLSA-N 2 0 217.316 1.804 20 30 BDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000603434104 385856537 /nfs/dbraw/zinc/85/65/37/385856537.db2.gz QAXJEQPEDFDAJT-ZIAGYGMSSA-N 2 0 243.354 1.816 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798768 385793868 /nfs/dbraw/zinc/79/38/68/385793868.db2.gz WQGLWOAQLDCUQA-QNSTZXKLSA-N 2 0 236.359 1.308 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520428698 386672361 /nfs/dbraw/zinc/67/23/61/386672361.db2.gz ZUPNRLXVRMCWPK-WDEREUQCSA-N 2 0 207.321 1.540 20 30 BDEDRP C[NH+](C)C[C@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000228726108 387122693 /nfs/dbraw/zinc/12/26/93/387122693.db2.gz FQNNKQVVXOZZAJ-CYBMUJFWSA-N 2 0 241.379 1.219 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000327980309 387601867 /nfs/dbraw/zinc/60/18/67/387601867.db2.gz IODDRLGUTOEXNC-KBPBESRZSA-N 2 0 237.391 1.014 20 30 BDEDRP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422986251 387795746 /nfs/dbraw/zinc/79/57/46/387795746.db2.gz BPXOZMJAAIVZQE-FUNVUKJBSA-N 2 0 224.348 1.452 20 30 BDEDRP C[C@@H]([NH2+]CCCCC#N)[C@H]1CCCC[NH2+]1 ZINC000422967473 387815804 /nfs/dbraw/zinc/81/58/04/387815804.db2.gz BYTCGBZDTQNYIP-VXGBXAGGSA-N 2 0 209.337 1.800 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423138141 387915817 /nfs/dbraw/zinc/91/58/17/387915817.db2.gz SGEKDYIGSKJOHT-JHJVBQTASA-N 2 0 240.391 1.931 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000424299968 387960105 /nfs/dbraw/zinc/96/01/05/387960105.db2.gz WJMDWJIIMLVWDQ-FQUUOJAGSA-N 2 0 238.375 1.507 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000424375973 387998476 /nfs/dbraw/zinc/99/84/76/387998476.db2.gz LBLRJDAXSQOPLL-XUXIUFHCSA-N 2 0 238.375 1.698 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423256170 388036981 /nfs/dbraw/zinc/03/69/81/388036981.db2.gz BJYQFYAIRMECGG-SRVKXCTJSA-N 2 0 209.337 1.514 20 30 BDEDRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423278049 388059983 /nfs/dbraw/zinc/05/99/83/388059983.db2.gz QLDUTHWXAIDACP-GRYCIOLGSA-N 2 0 209.337 1.642 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449520367 388222435 /nfs/dbraw/zinc/22/24/35/388222435.db2.gz PBKQBXWXFIFZBV-SYQHCUMBSA-N 2 0 236.359 1.546 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000451610240 388284050 /nfs/dbraw/zinc/28/40/50/388284050.db2.gz SNJLHYOPFRAYBX-KGLIPLIRSA-N 2 0 238.375 1.796 20 30 BDEDRP C#C[C@H](C)N(C)CC(C)C[N@H+](C)[C@@H](C)C#C ZINC000491565576 388304030 /nfs/dbraw/zinc/30/40/30/388304030.db2.gz AJSQIQBAYBRHSE-KBPBESRZSA-N 2 0 220.360 1.530 20 30 BDEDRP C#C[C@@H](C)[NH+](C)CCCC[N@@H+](C)[C@H](C)C#C ZINC000491699793 388312248 /nfs/dbraw/zinc/31/22/48/388312248.db2.gz JLKGFNWVLPHAIS-ZIAGYGMSSA-N 2 0 220.360 1.674 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000404829844 388636710 /nfs/dbraw/zinc/63/67/10/388636710.db2.gz HYJXTEJLZDERJH-JSGCOSHPSA-N 2 0 247.317 1.914 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423225058 388689857 /nfs/dbraw/zinc/68/98/57/388689857.db2.gz LDHAFGHOHHSZRS-QWRGUYRKSA-N 2 0 217.316 1.946 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH3+])CC2 ZINC000423337362 388691443 /nfs/dbraw/zinc/69/14/43/388691443.db2.gz VJUTVLBYCRCZCH-CQSZACIVSA-N 2 0 229.327 1.874 20 30 BDEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000253237525 135125018 /nfs/dbraw/zinc/12/50/18/135125018.db2.gz FOKZKBBPXHVTEY-NWDGAFQWSA-N 2 0 221.348 1.610 20 30 BDEDRP C=CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000261552511 135191252 /nfs/dbraw/zinc/19/12/52/135191252.db2.gz ROGNZSALZMEBEC-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262004399 135271771 /nfs/dbraw/zinc/27/17/71/135271771.db2.gz QWYKTANTMBDMML-LBPRGKRZSA-N 2 0 238.379 1.033 20 30 BDEDRP C[C@H]1C[NH+]=C(NC[C@@H]2[N@H+](C)CCCC2(C)C)N1 ZINC000262679970 135313387 /nfs/dbraw/zinc/31/33/87/135313387.db2.gz VPZSPSNPDUCUSB-QWRGUYRKSA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262909338 135323248 /nfs/dbraw/zinc/32/32/48/135323248.db2.gz YJCJXVRZMGUWQJ-GFCCVEGCSA-N 2 0 236.363 1.094 20 30 BDEDRP CN1CCC[NH+]=C1NCc1ccc2c[nH+]cn2c1 ZINC000263108511 135333696 /nfs/dbraw/zinc/33/36/96/135333696.db2.gz KVXYEBNXCWRULR-UHFFFAOYSA-N 2 0 243.314 1.115 20 30 BDEDRP CC(C)NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000263178811 135337936 /nfs/dbraw/zinc/33/79/36/135337936.db2.gz TWLKWXJDFGODKW-UHFFFAOYSA-N 2 0 226.368 1.174 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593319760 411139893 /nfs/dbraw/zinc/13/98/93/411139893.db2.gz PEIKYWNJMKNTGD-RYUDHWBXSA-N 2 0 221.348 1.787 20 30 BDEDRP C=C(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400909736 411165589 /nfs/dbraw/zinc/16/55/89/411165589.db2.gz AZAPVUYZOYPDTC-FRRDWIJNSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400986659 411167717 /nfs/dbraw/zinc/16/77/17/411167717.db2.gz ZCRJIVFXBBCEBR-JHJVBQTASA-N 2 0 224.348 1.167 20 30 BDEDRP C=CCOCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000658210070 411294259 /nfs/dbraw/zinc/29/42/59/411294259.db2.gz NTHXSXIMNIGVOJ-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037643912 170008541 /nfs/dbraw/zinc/00/85/41/170008541.db2.gz WWMZEWSZOVWWOB-HNNXBMFYSA-N 2 0 243.354 1.990 20 30 BDEDRP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000661380172 411763252 /nfs/dbraw/zinc/76/32/52/411763252.db2.gz BSHIWLWFFATOPY-KBPBESRZSA-N 2 0 240.391 1.587 20 30 BDEDRP C[NH2+]CCC[NH2+]Cc1cccc(C#N)c1 ZINC000083344058 173349524 /nfs/dbraw/zinc/34/95/24/173349524.db2.gz PSEMKXLUCNFCRX-UHFFFAOYSA-N 2 0 203.289 1.257 20 30 BDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000105480519 176269940 /nfs/dbraw/zinc/26/99/40/176269940.db2.gz FJPSUPASGBRIHC-DOMZBBRYSA-N 2 0 243.354 1.988 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000320214085 488091637 /nfs/dbraw/zinc/09/16/37/488091637.db2.gz FVVQPIFFCVWSBJ-JSGCOSHPSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CCC[C@H](O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496595 487741175 /nfs/dbraw/zinc/74/11/75/487741175.db2.gz USXRZUWARJARQZ-KGLIPLIRSA-N 2 0 240.391 1.776 20 30 BDEDRP C#CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000363466339 491121056 /nfs/dbraw/zinc/12/10/56/491121056.db2.gz FNWFFDPVOUCIDB-CQSZACIVSA-N 2 0 220.360 1.960 20 30 BDEDRP C=C(CC)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352782748 534372730 /nfs/dbraw/zinc/37/27/30/534372730.db2.gz GAIWAQSUDJPCBP-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP C=C(CC)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335699802 534395244 /nfs/dbraw/zinc/39/52/44/534395244.db2.gz JBODUUYJPQDXCO-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000263109842 534661923 /nfs/dbraw/zinc/66/19/23/534661923.db2.gz KXUBFOFCQIHDKG-UHFFFAOYSA-N 2 0 240.395 1.564 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413670 534779584 /nfs/dbraw/zinc/77/95/84/534779584.db2.gz FNCKOOSBOBTMKC-KBPBESRZSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC000393749913 582921714 /nfs/dbraw/zinc/92/17/14/582921714.db2.gz VVHYYCVVGVJVKN-UHFFFAOYSA-N 2 0 212.337 1.263 20 30 BDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262352825 535128349 /nfs/dbraw/zinc/12/83/49/535128349.db2.gz FKMLPPNUSUJWEF-LBPRGKRZSA-N 2 0 240.395 1.277 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC(C)C ZINC000104191488 583163016 /nfs/dbraw/zinc/16/30/16/583163016.db2.gz LKOYMQSZZLTAND-SNVBAGLBSA-N 2 0 214.357 1.029 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104152116 583106121 /nfs/dbraw/zinc/10/61/21/583106121.db2.gz RGLJWAPNYWZRNO-LBPRGKRZSA-N 2 0 240.395 1.375 20 30 BDEDRP CC[NH+](CC)CCCNC(=[NH2+])NCC1CCC1 ZINC000104153394 583111157 /nfs/dbraw/zinc/11/11/57/583111157.db2.gz PJNINNHNEZRSHV-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000893677374 583196326 /nfs/dbraw/zinc/19/63/26/583196326.db2.gz SIYFMXQYRAUEKT-UONOGXRCSA-N 2 0 236.359 1.099 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000895006852 583565696 /nfs/dbraw/zinc/56/56/96/583565696.db2.gz UXYSLGGMJHHIQV-KBPBESRZSA-N 2 0 238.375 1.509 20 30 BDEDRP C#CC[C@@H](CCOC)[NH2+]CC1CC[NH+](C)CC1 ZINC000895670786 583706065 /nfs/dbraw/zinc/70/60/65/583706065.db2.gz FMUCHQCRZABBNX-AWEZNQCLSA-N 2 0 238.375 1.346 20 30 BDEDRP C[N@H+](Cc1ccc(C#N)o1)C1CCC([NH3+])CC1 ZINC000863641816 583994988 /nfs/dbraw/zinc/99/49/88/583994988.db2.gz KXLIORSEVWWXJW-UHFFFAOYSA-N 2 0 233.315 1.853 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902484181 584624807 /nfs/dbraw/zinc/62/48/07/584624807.db2.gz FFRLVBPHDAKMBE-YFKTTZPYSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000902488706 584627583 /nfs/dbraw/zinc/62/75/83/584627583.db2.gz MQCUTQGYCNTTDO-MPKXVKKWSA-N 2 0 229.327 1.946 20 30 BDEDRP C=CC[NH+](CC=C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716848 584791740 /nfs/dbraw/zinc/79/17/40/584791740.db2.gz CRCTUJASVPKPQV-ZIAGYGMSSA-N 2 0 236.359 1.429 20 30 BDEDRP Cc1cc(C[NH2+][C@@H]2CCN(C)C2)ccc1C#N ZINC000767692733 585524818 /nfs/dbraw/zinc/52/48/18/585524818.db2.gz YYHZYCPNSLXIDP-CQSZACIVSA-N 2 0 229.327 1.660 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817963638 586854377 /nfs/dbraw/zinc/85/43/77/586854377.db2.gz WRACOCUEECHTFC-VXGBXAGGSA-N 2 0 247.342 1.834 20 30 BDEDRP C=C(Cl)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629986 587561360 /nfs/dbraw/zinc/56/13/60/587561360.db2.gz CPWCIUITEAARJD-UHFFFAOYSA-N 2 0 244.766 1.536 20 30 BDEDRP CN(C)C(=[NH+]CCC[NH2+]C(C)(C)C)N(C)C ZINC000848993988 588428328 /nfs/dbraw/zinc/42/83/28/588428328.db2.gz CEQSGHBXZBWENE-UHFFFAOYSA-N 2 0 228.384 1.244 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848997503 588429571 /nfs/dbraw/zinc/42/95/71/588429571.db2.gz MONIWLIRDXEPLY-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP CNC(NCC[N@H+]1[C@H](C)CCC[C@@H]1C)=[NH+]C ZINC000849214560 588461860 /nfs/dbraw/zinc/46/18/60/588461860.db2.gz QNSPGSVMGBSLQZ-PHIMTYICSA-N 2 0 226.368 1.044 20 30 BDEDRP C#CCOCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000851733676 588619772 /nfs/dbraw/zinc/61/97/72/588619772.db2.gz CZPPFLHBRPEECH-UHFFFAOYSA-N 2 0 238.375 1.300 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873251698 590009003 /nfs/dbraw/zinc/00/90/03/590009003.db2.gz NNYOSMYNLBSRBK-WISYIIOYSA-N 2 0 207.321 1.396 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CCCC ZINC000876542303 590212577 /nfs/dbraw/zinc/21/25/77/590212577.db2.gz NNFFFKIUAXEZEV-NXEZZACHSA-N 2 0 247.770 1.090 20 30 BDEDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC#N ZINC000887131269 592449416 /nfs/dbraw/zinc/44/94/16/592449416.db2.gz UOTFSMLNLNLYGQ-ZDUSSCGKSA-N 2 0 244.342 1.896 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NCC1CCC1)C(C)C ZINC000104191584 592604851 /nfs/dbraw/zinc/60/48/51/592604851.db2.gz VJCZIHUNFKGNKB-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP CN(C)C(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000178573512 635522674 /nfs/dbraw/zinc/52/26/74/635522674.db2.gz XTVKINSIGAMTIC-UHFFFAOYSA-N 2 0 240.395 1.519 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000925882479 635610315 /nfs/dbraw/zinc/61/03/15/635610315.db2.gz NAFGVROYEJMQQH-WUHRBBMRSA-N 2 0 221.348 1.786 20 30 BDEDRP CCCCCCC[N@H+](C)C[C@@H](O)C[NH3+] ZINC000308668684 631476519 /nfs/dbraw/zinc/47/65/19/631476519.db2.gz UMBRSYXMXFWPJO-NSHDSACASA-N 2 0 202.342 1.208 20 30 BDEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000044515427 632114841 /nfs/dbraw/zinc/11/48/41/632114841.db2.gz KSANEHWNNPTZEY-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP C/[NH+]=C(/N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000429093480 636058967 /nfs/dbraw/zinc/05/89/67/636058967.db2.gz LIWFFJRMGNWZRQ-JOLOJFPGSA-N 2 0 238.379 1.094 20 30 BDEDRP CNC(NCCCCC[NH+]1CCCCC1)=[NH+]C ZINC000304032028 636320512 /nfs/dbraw/zinc/32/05/12/636320512.db2.gz GMGUOQVBAVJATE-UHFFFAOYSA-N 2 0 240.395 1.437 20 30 BDEDRP COc1cc(C[NH2+]C2CC([NH3+])C2)ccc1C#N ZINC000906511471 638186082 /nfs/dbraw/zinc/18/60/82/638186082.db2.gz VLOMTVPLKKTSCE-UHFFFAOYSA-N 2 0 231.299 1.146 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911869184 639853470 /nfs/dbraw/zinc/85/34/70/639853470.db2.gz ZCDSCZLRVUZHBJ-LLVKDONJSA-N 2 0 241.379 1.113 20 30 BDEDRP C[C@@H](CCC#N)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931438311 640201695 /nfs/dbraw/zinc/20/16/95/640201695.db2.gz WRQGYEBVPBHTKK-RWMBFGLXSA-N 2 0 221.348 1.562 20 30 BDEDRP C=C(C)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931436259 640203991 /nfs/dbraw/zinc/20/39/91/640203991.db2.gz LQWSHYXCIBLNSX-OLZOCXBDSA-N 2 0 208.349 1.836 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443103 640207355 /nfs/dbraw/zinc/20/73/55/640207355.db2.gz RLSANHNCNINWBZ-FRRDWIJNSA-N 2 0 208.349 1.835 20 30 BDEDRP C#CCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000224312205 640610052 /nfs/dbraw/zinc/61/00/52/640610052.db2.gz CKWNUCMVSPCWCL-GFCCVEGCSA-N 2 0 208.349 1.720 20 30 BDEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])N(C)C)C1 ZINC000170903793 640935808 /nfs/dbraw/zinc/93/58/08/640935808.db2.gz AINLCQSGUDJBLZ-GFCCVEGCSA-N 2 0 240.395 1.375 20 30 BDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N(C)C ZINC000170909678 640936997 /nfs/dbraw/zinc/93/69/97/640936997.db2.gz JACUPWQEQAUREF-UHFFFAOYSA-N 2 0 228.384 1.375 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N[C@H](C)CC ZINC000173245978 641163602 /nfs/dbraw/zinc/16/36/02/641163602.db2.gz GCHLZZIGOYQUGB-LLVKDONJSA-N 2 0 228.384 1.421 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000231930235 641216176 /nfs/dbraw/zinc/21/61/76/641216176.db2.gz MBXYIGQQKRYQLF-NSHDSACASA-N 2 0 214.378 1.637 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000934645597 641227520 /nfs/dbraw/zinc/22/75/20/641227520.db2.gz VAWQUIDYCSFOEZ-CQSZACIVSA-N 2 0 242.407 1.976 20 30 BDEDRP C=CC[NH+](CC=C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298998 644326338 /nfs/dbraw/zinc/32/63/38/644326338.db2.gz HCOHADYXVHOFBF-GFCCVEGCSA-N 2 0 222.332 1.039 20 30 BDEDRP C=CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923387626 644397757 /nfs/dbraw/zinc/39/77/57/644397757.db2.gz XNHLPEMXQLXBDF-VOAKCMCISA-N 2 0 224.348 1.125 20 30 BDEDRP C=C(Cl)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491959 644468431 /nfs/dbraw/zinc/46/84/31/644468431.db2.gz VJSZYUNUOHOSAA-WCBMZHEXSA-N 2 0 202.729 1.656 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494475 644469795 /nfs/dbraw/zinc/46/97/95/644469795.db2.gz XWDBSRJORVDEJR-AVGNSLFASA-N 2 0 226.364 1.230 20 30 BDEDRP C[NH+]1CCC(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303866027 644850430 /nfs/dbraw/zinc/85/04/30/644850430.db2.gz CDSYKJUQYVBYCE-UHFFFAOYSA-N 2 0 238.379 1.129 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303875790 644852204 /nfs/dbraw/zinc/85/22/04/644852204.db2.gz HTIYLGXHVMTGPW-GFCCVEGCSA-N 2 0 240.395 1.277 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303900884 644854973 /nfs/dbraw/zinc/85/49/73/644854973.db2.gz SKTDZDKMCQIMKL-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@H+](C)C1CC1 ZINC000303968354 644860827 /nfs/dbraw/zinc/86/08/27/644860827.db2.gz APPMLDUBSCZNKB-SNVBAGLBSA-N 2 0 238.379 1.174 20 30 BDEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304740573 644929387 /nfs/dbraw/zinc/92/93/87/644929387.db2.gz BSRFYEWUUKBESX-GFCCVEGCSA-N 2 0 238.379 1.033 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304756871 644930465 /nfs/dbraw/zinc/93/04/65/644930465.db2.gz ODJCVORYWCMPCZ-NSHDSACASA-N 2 0 226.368 1.033 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925550924 646328384 /nfs/dbraw/zinc/32/83/84/646328384.db2.gz UWDJACGYKMJDNO-AWEZNQCLSA-N 2 0 249.402 1.511 20 30 BDEDRP CC1(C)[C@@H]([NH2+]CCCC#N)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925635206 646378503 /nfs/dbraw/zinc/37/85/03/646378503.db2.gz PEENDCLRBNDGOF-SRVKXCTJSA-N 2 0 221.348 1.656 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925710124 646435220 /nfs/dbraw/zinc/43/52/20/646435220.db2.gz VMZQMJZCRXZNTD-SFWGVHFYSA-N 2 0 248.370 1.164 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925769169 646470999 /nfs/dbraw/zinc/47/09/99/646470999.db2.gz BGYGNLVDCXIVQW-JHJVBQTASA-N 2 0 240.391 1.809 20 30 BDEDRP CCCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000309479419 711685077 /nfs/dbraw/zinc/68/50/77/711685077.db2.gz CZLXJZJNVCXDNB-UHFFFAOYSA-N 2 0 214.357 1.079 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923480300 712334572 /nfs/dbraw/zinc/33/45/72/712334572.db2.gz WRSAYBKKIZTZIJ-SNVBAGLBSA-N 2 0 219.288 1.322 20 30 BDEDRP N#CCCN(CCCC[NH3+])Cc1cccnc1 ZINC001205539361 967682104 /nfs/dbraw/zinc/68/21/04/967682104.db2.gz XMEADZKCMVQQCQ-UHFFFAOYSA-N 2 0 232.331 1.536 20 30 BDEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303886670 970538245 /nfs/dbraw/zinc/53/82/45/970538245.db2.gz NVUBCSSMQNXHCV-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+](C)C ZINC001336753193 977909533 /nfs/dbraw/zinc/90/95/33/977909533.db2.gz CVXXMEJVAOKBEC-RYUDHWBXSA-N 2 0 241.379 1.074 20 30 BDEDRP CC(C)[N@@H+]1CC[C@H](CNC[C@H](C#N)CCC#N)C1 ZINC001336763769 977932610 /nfs/dbraw/zinc/93/26/10/977932610.db2.gz RSTPMRFANYYFGE-UONOGXRCSA-N 2 0 248.374 1.750 20 30 BDEDRP CC[NH+]1C[C@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256971318 971052899 /nfs/dbraw/zinc/05/28/99/971052899.db2.gz OJYAXBMNYMPGTF-GQKFXUNGSA-N 2 0 247.386 1.952 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217833274 971425840 /nfs/dbraw/zinc/42/58/40/971425840.db2.gz UCKBSRALSIDHEX-KBPBESRZSA-N 2 0 238.375 1.701 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC1CC[NH2+]CC1 ZINC001217926961 971533015 /nfs/dbraw/zinc/53/30/15/971533015.db2.gz NCVDRQDHTCWSBI-ZIAGYGMSSA-N 2 0 238.375 1.699 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218205548 971627637 /nfs/dbraw/zinc/62/76/37/971627637.db2.gz XLDKGRPEZSIPRW-CQSZACIVSA-N 2 0 232.327 1.485 20 30 BDEDRP C=CCOCc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170902931 972073733 /nfs/dbraw/zinc/07/37/33/972073733.db2.gz HPYOZZVWFVUGKT-CQSZACIVSA-N 2 0 249.358 1.825 20 30 BDEDRP N#Cc1cc2[nH]ccc2c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170903718 972078019 /nfs/dbraw/zinc/07/80/19/972078019.db2.gz KKHGOIKYMDOAHJ-CYBMUJFWSA-N 2 0 243.314 1.475 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246019033 972116112 /nfs/dbraw/zinc/11/61/12/972116112.db2.gz HEOVJTRNAXEQPI-QWHCGFSZSA-N 2 0 244.354 1.466 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246029805 972122634 /nfs/dbraw/zinc/12/26/34/972122634.db2.gz LWVLPFSLWCEFPM-XQQFMLRXSA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001246105764 972169918 /nfs/dbraw/zinc/16/99/18/972169918.db2.gz WXPPQQBRONYGOH-RVMXOQNASA-N 2 0 221.348 1.514 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237392 972413356 /nfs/dbraw/zinc/41/33/56/972413356.db2.gz HRQNYODTDFFCCJ-CYBMUJFWSA-N 2 0 206.333 1.618 20 30 BDEDRP C=CC(NCOC)=[NH+]CCCC[NH+](C)C ZINC001161728545 964716483 /nfs/dbraw/zinc/71/64/83/964716483.db2.gz NTKBEUYIBSLFAY-UHFFFAOYSA-N 2 0 213.325 1.106 20 30 BDEDRP C#Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205046304 967300062 /nfs/dbraw/zinc/30/00/62/967300062.db2.gz CGLISKJMQBZWEE-UHFFFAOYSA-N 2 0 228.339 1.839 20 30 BDEDRP N#Cc1ccnc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205046656 967302941 /nfs/dbraw/zinc/30/29/41/967302941.db2.gz HJTHYGLTDTYHHW-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP C[C@@H]1CN(CCCc2cccc(C#N)c2)C[C@H]1[NH3+] ZINC001206052992 968019379 /nfs/dbraw/zinc/01/93/79/968019379.db2.gz CGWPFLUKBHRKDR-IUODEOHRSA-N 2 0 243.354 1.770 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252581592 968835482 /nfs/dbraw/zinc/83/54/82/968835482.db2.gz IERBPBVCLYCROK-AVGNSLFASA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252620549 968880713 /nfs/dbraw/zinc/88/07/13/968880713.db2.gz WOJZROHMXXVXDI-MCIONIFRSA-N 2 0 240.391 1.776 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001208602525 969159181 /nfs/dbraw/zinc/15/91/81/969159181.db2.gz GXDFNEBUNNRVGC-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC001209162423 969362989 /nfs/dbraw/zinc/36/29/89/969362989.db2.gz YGQZSIREJGBLHN-UHFFFAOYSA-N 2 0 227.396 1.378 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCS)C2 ZINC001169096487 969392952 /nfs/dbraw/zinc/39/29/52/969392952.db2.gz XKQAEOVIYRKQTR-ILWJIGKKSA-N 2 0 200.351 1.131 20 30 BDEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254673732 969780899 /nfs/dbraw/zinc/78/08/99/969780899.db2.gz NWBARHVXAJJCSI-YIYPIFLZSA-N 2 0 233.359 1.562 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246567413 972817000 /nfs/dbraw/zinc/81/70/00/972817000.db2.gz KSOBIPLQEVTRNU-YNEHKIRRSA-N 2 0 223.364 1.985 20 30 BDEDRP N#CCC1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246640949 973060778 /nfs/dbraw/zinc/06/07/78/973060778.db2.gz VNJLHIXHKUKUKU-NWINJMCUSA-N 2 0 233.359 1.895 20 30 BDEDRP C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172104160 974367610 /nfs/dbraw/zinc/36/76/10/974367610.db2.gz AHDCPFXDMXLWNF-XYYAHUGASA-N 2 0 218.344 1.757 20 30 BDEDRP C[NH+]1CCC(NCc2cncc(C#N)c2)CC1 ZINC000721532541 977082675 /nfs/dbraw/zinc/08/26/75/977082675.db2.gz LENQDGJMSWKMSR-UHFFFAOYSA-N 2 0 230.315 1.137 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC001340150543 978982226 /nfs/dbraw/zinc/98/22/26/978982226.db2.gz WGUCEGXNAOJZJA-NEPJUHHUSA-N 2 0 243.395 1.528 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC001341673210 979517074 /nfs/dbraw/zinc/51/70/74/979517074.db2.gz ZKWQIEBVMQLGKA-NWDGAFQWSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001326940110 984829813 /nfs/dbraw/zinc/82/98/13/984829813.db2.gz ADLLBKZUUFHLJJ-NSHDSACASA-N 2 0 224.352 1.018 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(C#N)cs1 ZINC001579453702 985939088 /nfs/dbraw/zinc/93/90/88/985939088.db2.gz IEMSTSSYYNPYKB-ZYHUDNBSSA-N 2 0 249.383 1.955 20 30 BDEDRP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001579474201 985975139 /nfs/dbraw/zinc/97/51/39/985975139.db2.gz ZUCXXEYAQXXANM-NDBYEHHHSA-N 2 0 219.332 1.220 20 30 BDEDRP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001579474200 985979439 /nfs/dbraw/zinc/97/94/39/985979439.db2.gz ZUCXXEYAQXXANM-LPWJVIDDSA-N 2 0 219.332 1.220 20 30 BDEDRP N#CCSCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580052680 986484724 /nfs/dbraw/zinc/48/47/24/986484724.db2.gz RKVZVJVXYUIOCM-NEPJUHHUSA-N 2 0 239.388 1.175 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671661 986721589 /nfs/dbraw/zinc/72/15/89/986721589.db2.gz SQMGMLGRDGVWOS-FVCCEPFGSA-N 2 0 219.332 1.172 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000381761853 986737611 /nfs/dbraw/zinc/73/76/11/986737611.db2.gz UCSFMMVIDDZGNY-FRRDWIJNSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001245982581 987258681 /nfs/dbraw/zinc/25/86/81/987258681.db2.gz KWPGGVQGHXKWDU-AGIUHOORSA-N 2 0 226.364 1.291 20 30 BDEDRP N#CCC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246073365 987360993 /nfs/dbraw/zinc/36/09/93/987360993.db2.gz SNKVPMCOPJCJBR-UHFFFAOYSA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC001246104969 987432648 /nfs/dbraw/zinc/43/26/48/987432648.db2.gz VVJKPPFBEPSXRJ-ZIHBUVQPSA-N 2 0 235.375 1.904 20 30 BDEDRP N#CCC1CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246128799 987477845 /nfs/dbraw/zinc/47/78/45/987477845.db2.gz FIXTWVDCJHSCOU-WXRRBKDZSA-N 2 0 233.359 1.800 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246205292 987603041 /nfs/dbraw/zinc/60/30/41/987603041.db2.gz LIEKZXQVSVGKLW-LPWJVIDDSA-N 2 0 221.348 1.799 20 30 BDEDRP C=CCOC1CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246445266 987804137 /nfs/dbraw/zinc/80/41/37/987804137.db2.gz NJXHTSOGPVGVNP-BPCQOVAHSA-N 2 0 236.359 1.452 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246590895 988167650 /nfs/dbraw/zinc/16/76/50/988167650.db2.gz IKDMRHXWECTMKK-UPJWGTAASA-N 2 0 221.348 1.739 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616723 988249657 /nfs/dbraw/zinc/24/96/57/988249657.db2.gz DAESAMLZGXFIFT-RDBSUJKOSA-N 2 0 237.391 1.367 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246627551 988291295 /nfs/dbraw/zinc/29/12/95/988291295.db2.gz MZLFUEGNKHCQGW-MNOVXSKESA-N 2 0 225.311 1.441 20 30 BDEDRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)CC[NH2+]1 ZINC001246796689 988467547 /nfs/dbraw/zinc/46/75/47/988467547.db2.gz KCVDKUJFUMGBAW-UPJWGTAASA-N 2 0 221.348 1.753 20 30 BDEDRP N#CCC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856404 988575963 /nfs/dbraw/zinc/57/59/63/988575963.db2.gz XAKOJOUFZONXRG-HHTDUIENSA-N 2 0 233.359 1.882 20 30 BDEDRP C=CCCCC[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246868609 988625044 /nfs/dbraw/zinc/62/50/44/988625044.db2.gz BJKPXNPRYLNGQW-CYBMUJFWSA-N 2 0 237.391 1.369 20 30 BDEDRP C=CC[N@H+]([C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246921204 988732847 /nfs/dbraw/zinc/73/28/47/988732847.db2.gz OCSXAVBZKGDSQH-LBPRGKRZSA-N 2 0 237.391 1.367 20 30 BDEDRP CC[C@H](CC#N)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246935675 988767336 /nfs/dbraw/zinc/76/73/36/988767336.db2.gz WDLNUGRIFJUJHC-FRRDWIJNSA-N 2 0 221.348 1.610 20 30 BDEDRP C=CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000083361147 991196404 /nfs/dbraw/zinc/19/64/04/991196404.db2.gz JZEZLSFEPHOUIO-UHFFFAOYSA-N 2 0 234.343 1.903 20 30 BDEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)CC3)[C@H]2C1 ZINC001561052654 991705910 /nfs/dbraw/zinc/70/59/10/991705910.db2.gz HLXRLVNBGSIEDB-NNVWEFMASA-N 2 0 247.386 1.999 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC001320037523 992079120 /nfs/dbraw/zinc/07/91/20/992079120.db2.gz GWMRWMMDZPVUAN-ZDUSSCGKSA-N 2 0 235.331 1.468 20 30 BDEDRP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574835721 992924494 /nfs/dbraw/zinc/92/44/94/992924494.db2.gz FGMLRVIJUVGPLU-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC2(C[C@@H]2[NH3+])C1 ZINC001574961291 992948590 /nfs/dbraw/zinc/94/85/90/992948590.db2.gz XFCWAQZHMURHEE-MFBWYPHWSA-N 2 0 222.332 1.189 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001575941011 993124802 /nfs/dbraw/zinc/12/48/02/993124802.db2.gz GPWANPFSJXIDGX-QWRGUYRKSA-N 2 0 207.321 1.268 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750229 398230223 /nfs/dbraw/zinc/23/02/23/398230223.db2.gz NBSCNIYAHNVEHT-AGIUHOORSA-N 2 0 235.375 1.999 20 30 BDEDRP C=CCOCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000339010292 136280114 /nfs/dbraw/zinc/28/01/14/136280114.db2.gz JJFKOYIOYYKAPH-CQSZACIVSA-N 2 0 240.391 1.853 20 30 BDEDRP C#CC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007670 344766975 /nfs/dbraw/zinc/76/69/75/344766975.db2.gz JOKZKSOBNOTSID-UHFFFAOYSA-N 2 0 238.375 1.442 20 30 BDEDRP C=CCN1CCC([NH2+]Cc2cncn2C)CC1 ZINC000237921831 344934248 /nfs/dbraw/zinc/93/42/48/344934248.db2.gz QZKHKAUDJSGUEJ-UHFFFAOYSA-N 2 0 234.347 1.160 20 30 BDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248164088 345347757 /nfs/dbraw/zinc/34/77/57/345347757.db2.gz SPZGYZBEIGVFSE-QWHCGFSZSA-N 2 0 208.349 1.979 20 30 BDEDRP C#CC[N@@H+](C)CCCN[C@@H](C)c1nccnc1C ZINC000295060231 346352185 /nfs/dbraw/zinc/35/21/85/346352185.db2.gz RCZODHCHKMGHOD-LBPRGKRZSA-N 2 0 246.358 1.391 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309521032 347092245 /nfs/dbraw/zinc/09/22/45/347092245.db2.gz ANFLLXLCEVTVKR-JHJVBQTASA-N 2 0 223.364 1.999 20 30 BDEDRP N#CCCOCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000590159160 346783125 /nfs/dbraw/zinc/78/31/25/346783125.db2.gz XWETUTIMCDZPDF-CYBMUJFWSA-N 2 0 248.330 1.450 20 30 BDEDRP CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000195522069 347457456 /nfs/dbraw/zinc/45/74/56/347457456.db2.gz GZQYWNOUVNLGCY-ZDUSSCGKSA-N 2 0 246.358 1.358 20 30 BDEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH3+] ZINC000591575896 347676548 /nfs/dbraw/zinc/67/65/48/347676548.db2.gz NVEQXZMJBIVOPO-AWEZNQCLSA-N 2 0 229.327 1.874 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000594512231 348061110 /nfs/dbraw/zinc/06/11/10/348061110.db2.gz VLUNSXKGAACBDC-NDBYEHHHSA-N 2 0 221.348 1.608 20 30 BDEDRP N#CC1(CNC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000594611002 348082563 /nfs/dbraw/zinc/08/25/63/348082563.db2.gz BBOBYBPEVVHCBL-ZDUSSCGKSA-N 2 0 249.358 1.133 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491370 362916100 /nfs/dbraw/zinc/91/61/00/362916100.db2.gz RCFAYNYCZPZODY-RYUDHWBXSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491369 362916568 /nfs/dbraw/zinc/91/65/68/362916568.db2.gz RCFAYNYCZPZODY-NWDGAFQWSA-N 2 0 226.364 1.386 20 30 BDEDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595896811 348387234 /nfs/dbraw/zinc/38/72/34/348387234.db2.gz YAIKWCUACZNNNY-SWLSCSKDSA-N 2 0 243.354 1.912 20 30 BDEDRP N#Cc1ccc(CCN2CCC[NH2+]CC2)cc1 ZINC000595891522 348390092 /nfs/dbraw/zinc/39/00/92/348390092.db2.gz HSAHMXOWRRBHSV-UHFFFAOYSA-N 2 0 229.327 1.396 20 30 BDEDRP C[NH2+][C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595894234 348390995 /nfs/dbraw/zinc/39/09/95/348390995.db2.gz SNAGXQWZXHBXQU-HNNXBMFYSA-N 2 0 243.354 1.785 20 30 BDEDRP CC#CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000336647415 350417389 /nfs/dbraw/zinc/41/73/89/350417389.db2.gz MLMYVXJCXPXEEE-UHFFFAOYSA-N 2 0 208.349 1.814 20 30 BDEDRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(C#N)c1 ZINC000131424141 351124877 /nfs/dbraw/zinc/12/48/77/351124877.db2.gz XLIAPJSVDRBIQQ-RISCZKNCSA-N 2 0 229.327 1.870 20 30 BDEDRP C=C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638747724 352682106 /nfs/dbraw/zinc/68/21/06/352682106.db2.gz IGNDTEWZQAMHRA-LLVKDONJSA-N 2 0 226.364 1.386 20 30 BDEDRP CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CC2)[C@H](C)C1 ZINC000343296476 353407189 /nfs/dbraw/zinc/40/71/89/353407189.db2.gz DGJXSAQJMGDJCD-OLZOCXBDSA-N 2 0 235.375 1.952 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000129123661 181137605 /nfs/dbraw/zinc/13/76/05/181137605.db2.gz RFGHDILMTLQARQ-CQSZACIVSA-N 2 0 229.327 1.790 20 30 BDEDRP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320388 192195425 /nfs/dbraw/zinc/19/54/25/192195425.db2.gz BNBJDBMKJPGFLM-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378563 192232695 /nfs/dbraw/zinc/23/26/95/192232695.db2.gz MDZVBPWPZXODQO-KGLIPLIRSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000168609813 134230668 /nfs/dbraw/zinc/23/06/68/134230668.db2.gz GTRFBYALHAPESZ-RYUDHWBXSA-N 2 0 212.337 1.296 20 30 BDEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC#N)CC[C@@H]21 ZINC000129115589 358583758 /nfs/dbraw/zinc/58/37/58/358583758.db2.gz MLXGKGVAULIJDT-STQMWFEESA-N 2 0 221.348 1.706 20 30 BDEDRP NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000057887315 358908380 /nfs/dbraw/zinc/90/83/80/358908380.db2.gz GOGNWXMHUMSWTF-UHFFFAOYSA-N 2 0 246.358 1.446 20 30 BDEDRP C=C(Cl)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000306480750 360150142 /nfs/dbraw/zinc/15/01/42/360150142.db2.gz NJTFPJYTCDIAIF-JTQLQIEISA-N 2 0 200.713 1.424 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404881 361054592 /nfs/dbraw/zinc/05/45/92/361054592.db2.gz SGSDVRWEMMLDPK-NEPJUHHUSA-N 2 0 214.353 1.413 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000629552020 361444575 /nfs/dbraw/zinc/44/45/75/361444575.db2.gz YWBZPPCOTHAPOD-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000629552021 361444700 /nfs/dbraw/zinc/44/47/00/361444700.db2.gz YWBZPPCOTHAPOD-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC(C)(C)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000385229205 367811085 /nfs/dbraw/zinc/81/10/85/367811085.db2.gz SVUDIJPJXNIJTA-GFCCVEGCSA-N 2 0 226.364 1.243 20 30 BDEDRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(C#N)o1 ZINC000600768125 369562692 /nfs/dbraw/zinc/56/26/92/369562692.db2.gz CMXMVROBQUYYSR-UWVGGRQHSA-N 2 0 219.288 1.463 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)o1 ZINC000600770460 369564831 /nfs/dbraw/zinc/56/48/31/369564831.db2.gz ZSWIBJXDOQYJIC-LBPRGKRZSA-N 2 0 231.299 1.383 20 30 BDEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602023562 369736620 /nfs/dbraw/zinc/73/66/20/369736620.db2.gz XRNDDBNHQKNEIS-SMDDNHRTSA-N 2 0 229.327 1.585 20 30 BDEDRP N#Cc1cccc(CNCCC[NH+]2CCCC2)n1 ZINC000602592661 369823165 /nfs/dbraw/zinc/82/31/65/369823165.db2.gz JQIFKIUNIBMFSA-UHFFFAOYSA-N 2 0 244.342 1.529 20 30 BDEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424328771 206036956 /nfs/dbraw/zinc/03/69/56/206036956.db2.gz ONBZZLJUEVUHHJ-RQJABVFESA-N 2 0 235.375 1.999 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000424379800 206039065 /nfs/dbraw/zinc/03/90/65/206039065.db2.gz PBQOKPOQUYOUQT-SRVKXCTJSA-N 2 0 212.337 1.295 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090450827 384822413 /nfs/dbraw/zinc/82/24/13/384822413.db2.gz FPEYFCWGWXUOCT-UONOGXRCSA-N 2 0 238.375 1.796 20 30 BDEDRP C[NH+](C)CCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135483691 384901123 /nfs/dbraw/zinc/90/11/23/384901123.db2.gz ZTRABSHGEOMFDT-UHFFFAOYSA-N 2 0 221.304 1.583 20 30 BDEDRP C#CC[N@H+](C)CCCNc1cc(C)cc[nH+]1 ZINC000292920683 533109837 /nfs/dbraw/zinc/10/98/37/533109837.db2.gz YLNKISUICIMFDO-UHFFFAOYSA-N 2 0 217.316 1.757 20 30 BDEDRP CC#CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000157947355 385317419 /nfs/dbraw/zinc/31/74/19/385317419.db2.gz WJYVEUBSVWQHNJ-UHFFFAOYSA-N 2 0 236.359 1.054 20 30 BDEDRP N#CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000336172915 385492319 /nfs/dbraw/zinc/49/23/19/385492319.db2.gz ARDCBUWDCMJPHT-GXTWGEPZSA-N 2 0 233.359 1.849 20 30 BDEDRP C=CCOc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000414880974 385980076 /nfs/dbraw/zinc/98/00/76/385980076.db2.gz JSPLDOCOEOUVAD-GFCCVEGCSA-N 2 0 234.343 1.936 20 30 BDEDRP CC#CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334421449 386025973 /nfs/dbraw/zinc/02/59/73/386025973.db2.gz UCISTVPKCIRBQA-CYBMUJFWSA-N 2 0 206.333 1.427 20 30 BDEDRP C[N@H+](CCCC[NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000571755857 387160588 /nfs/dbraw/zinc/16/05/88/387160588.db2.gz PWFAEAVMHWXHBZ-CYBMUJFWSA-N 2 0 248.374 1.894 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396796 387233005 /nfs/dbraw/zinc/23/30/05/387233005.db2.gz SOROLLRWFRYARA-NDBYEHHHSA-N 2 0 221.348 1.928 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423561120 387376232 /nfs/dbraw/zinc/37/62/32/387376232.db2.gz PTWUFJSGOKBJII-DGCLKSJQSA-N 2 0 221.348 1.800 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422944268 387786327 /nfs/dbraw/zinc/78/63/27/387786327.db2.gz LFCWRZGWQHVIKB-RYUDHWBXSA-N 2 0 228.405 1.883 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422977488 387789151 /nfs/dbraw/zinc/78/91/51/387789151.db2.gz WUYVPDKCGDRMIV-RYUDHWBXSA-N 2 0 209.337 1.930 20 30 BDEDRP C=C(C)COCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422987861 387798988 /nfs/dbraw/zinc/79/89/88/387798988.db2.gz HOGRWFDDAXLDPW-GHMZBOCLSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCSCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422949815 387807795 /nfs/dbraw/zinc/80/77/95/387807795.db2.gz WPURGPNFPBSPQD-VHSXEESVSA-N 2 0 202.367 1.621 20 30 BDEDRP C=CCOCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000643479534 387849821 /nfs/dbraw/zinc/84/98/21/387849821.db2.gz NLFLXKBLZARQKH-LLVKDONJSA-N 2 0 249.358 1.702 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423106557 387891992 /nfs/dbraw/zinc/89/19/92/387891992.db2.gz ZZPFUAGSLHEKJE-SYQHCUMBSA-N 2 0 238.375 1.698 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000423095870 387885535 /nfs/dbraw/zinc/88/55/35/387885535.db2.gz NHYHVJAWRQDAEQ-NWDGAFQWSA-N 2 0 221.348 1.658 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423155729 387933893 /nfs/dbraw/zinc/93/38/93/387933893.db2.gz LNUCFWPPIVVXJT-GRYCIOLGSA-N 2 0 212.337 1.295 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187598 387971285 /nfs/dbraw/zinc/97/12/85/387971285.db2.gz YGWLPPXQZOPGAQ-KGLIPLIRSA-N 2 0 239.407 1.472 20 30 BDEDRP C#C[C@@H](C)N(C)CC(C)C[N@H+](C)[C@H](C)C#C ZINC000491565577 388304000 /nfs/dbraw/zinc/30/40/00/388304000.db2.gz AJSQIQBAYBRHSE-ZIAGYGMSSA-N 2 0 220.360 1.530 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491209518 388277517 /nfs/dbraw/zinc/27/75/17/388277517.db2.gz IHTAFXLZJTYRIN-DZGCQCFKSA-N 2 0 249.402 1.014 20 30 BDEDRP COc1cc(C[NH2+]CCCC[NH3+])ccc1C#N ZINC000414912482 388665437 /nfs/dbraw/zinc/66/54/37/388665437.db2.gz UUUJUNHVWWUWLH-UHFFFAOYSA-N 2 0 233.315 1.395 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367620904 134215757 /nfs/dbraw/zinc/21/57/57/134215757.db2.gz YYYJFNRCRVKORO-MJBXVCDLSA-N 2 0 238.375 1.651 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168611369 134231673 /nfs/dbraw/zinc/23/16/73/134231673.db2.gz KVSBSWKHDYDUDS-LBPRGKRZSA-N 2 0 212.337 1.311 20 30 BDEDRP C=C(C)COCC[NH2+]Cc1cnccc1N(C)C ZINC000185212600 134374867 /nfs/dbraw/zinc/37/48/67/134374867.db2.gz PRYVYDMBTSPPTA-UHFFFAOYSA-N 2 0 249.358 1.830 20 30 BDEDRP C=CC[N@@H+](CCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234683815 134384732 /nfs/dbraw/zinc/38/47/32/134384732.db2.gz SHBJAAYBJHZGEJ-QWHCGFSZSA-N 2 0 226.364 1.509 20 30 BDEDRP CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261836205 135256286 /nfs/dbraw/zinc/25/62/86/135256286.db2.gz WBVKUJVWBCSXMB-ZYHUDNBSSA-N 2 0 238.379 1.044 20 30 BDEDRP C[NH+](C)CC1(CNC(=[NH2+])N2CCC2)CCCC1 ZINC000263026578 135327490 /nfs/dbraw/zinc/32/74/90/135327490.db2.gz AUBWCOYYLIIZKI-UHFFFAOYSA-N 2 0 238.379 1.129 20 30 BDEDRP CC1(C)CCC[N@H+](CCNC(=[NH2+])N2CCC2)C1 ZINC000263090487 135331625 /nfs/dbraw/zinc/33/16/25/135331625.db2.gz ISSQULLZWCRGKV-UHFFFAOYSA-N 2 0 238.379 1.129 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000184284447 398018121 /nfs/dbraw/zinc/01/81/21/398018121.db2.gz QURUCBUQNFWDIG-CYBMUJFWSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000389321759 398073462 /nfs/dbraw/zinc/07/34/62/398073462.db2.gz HMFCDUBYPXOSJV-NEPJUHHUSA-N 2 0 212.337 1.296 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593319759 411139886 /nfs/dbraw/zinc/13/98/86/411139886.db2.gz PEIKYWNJMKNTGD-NWDGAFQWSA-N 2 0 221.348 1.787 20 30 BDEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)C1 ZINC000651739005 411139897 /nfs/dbraw/zinc/13/98/97/411139897.db2.gz GAFXMVKGBWGJDN-MCIONIFRSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360128 411218182 /nfs/dbraw/zinc/21/81/82/411218182.db2.gz BDEXBCOJNDCVHY-XQQFMLRXSA-N 2 0 224.348 1.533 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657659214 411572298 /nfs/dbraw/zinc/57/22/98/411572298.db2.gz RMQVGXOJFXASKO-KBPBESRZSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CC[NH+](CC=C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249625 412046861 /nfs/dbraw/zinc/04/68/61/412046861.db2.gz QQLZJFSGXZQTBH-GFCCVEGCSA-N 2 0 222.332 1.181 20 30 BDEDRP C=CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291886 412081975 /nfs/dbraw/zinc/08/19/75/412081975.db2.gz AKCNNGVLOQHHAK-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP C=C(C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318159 412098133 /nfs/dbraw/zinc/09/81/33/412098133.db2.gz WOTUXHJALVDZQV-CYBMUJFWSA-N 2 0 226.364 1.605 20 30 BDEDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000310135281 177284662 /nfs/dbraw/zinc/28/46/62/177284662.db2.gz IUNGGIKFAAEXFL-SMDDNHRTSA-N 2 0 229.327 1.646 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758005 323190604 /nfs/dbraw/zinc/19/06/04/323190604.db2.gz OQKFYGUNJWALBI-OLZOCXBDSA-N 2 0 249.358 1.537 20 30 BDEDRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192593076 323228266 /nfs/dbraw/zinc/22/82/66/323228266.db2.gz IDNABUJZYZFTBG-NWDGAFQWSA-N 2 0 209.337 1.610 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000677048312 487959394 /nfs/dbraw/zinc/95/93/94/487959394.db2.gz VFKJNUSEHBONPT-AWEZNQCLSA-N 2 0 240.391 1.587 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566483109 326056415 /nfs/dbraw/zinc/05/64/15/326056415.db2.gz RMWAVTYQQCTXGK-NNYUYHANSA-N 2 0 207.321 1.538 20 30 BDEDRP C=CCC[C@@H](O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000675496598 487741361 /nfs/dbraw/zinc/74/13/61/487741361.db2.gz USXRZUWARJARQZ-ZIAGYGMSSA-N 2 0 240.391 1.776 20 30 BDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262397686 535133134 /nfs/dbraw/zinc/13/31/34/535133134.db2.gz NEOLESDFQXGTOQ-LLVKDONJSA-N 2 0 238.379 1.031 20 30 BDEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@H+](C)C1CC1 ZINC000104193012 583163247 /nfs/dbraw/zinc/16/32/47/583163247.db2.gz LSBOUCKOIPIBJO-LLVKDONJSA-N 2 0 238.379 1.270 20 30 BDEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000893677372 583196048 /nfs/dbraw/zinc/19/60/48/583196048.db2.gz SIYFMXQYRAUEKT-KBPBESRZSA-N 2 0 236.359 1.099 20 30 BDEDRP C#CC[N@@H+](CC1CC[NH+](C)CC1)C1CSC1 ZINC000895813818 583734015 /nfs/dbraw/zinc/73/40/15/583734015.db2.gz IQBIWNTVMVFYRP-UHFFFAOYSA-N 2 0 238.400 1.379 20 30 BDEDRP C#CCC1([NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000897351290 583929445 /nfs/dbraw/zinc/92/94/45/583929445.db2.gz ZRBHFPGJNSAZPW-UHFFFAOYSA-N 2 0 220.360 1.864 20 30 BDEDRP C[C@@H]([NH3+])CN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474895 584776807 /nfs/dbraw/zinc/77/68/07/584776807.db2.gz SSAOOCBQQBGNFK-SECBINFHSA-N 2 0 237.734 1.991 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@@](C)(O)C[NH2+]C ZINC000903850713 584807890 /nfs/dbraw/zinc/80/78/90/584807890.db2.gz XSEDLAWTVJACJX-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903850540 584807943 /nfs/dbraw/zinc/80/79/43/584807943.db2.gz UFUVHWSXZUFZIF-ZDUSSCGKSA-N 2 0 238.375 1.653 20 30 BDEDRP C#CCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000760841757 585398877 /nfs/dbraw/zinc/39/88/77/585398877.db2.gz RXDNXZBFIGQTAT-ZDUSSCGKSA-N 2 0 208.349 1.673 20 30 BDEDRP CC(C[NH+]1CCCCCC1)=Nn1cnnc1 ZINC000777422809 585711753 /nfs/dbraw/zinc/71/17/53/585711753.db2.gz XYSJXUUBYHFQRM-UHFFFAOYSA-N 2 0 221.308 1.378 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000817931902 586842625 /nfs/dbraw/zinc/84/26/25/586842625.db2.gz OOPQVVULLHRPHD-OCCSQVGLSA-N 2 0 244.342 1.560 20 30 BDEDRP C[NH+]=C(NCC[NH+](C(C)C)C(C)C)NC1CC1 ZINC000848980997 588423797 /nfs/dbraw/zinc/42/37/97/588423797.db2.gz UKFQKEGPZAUGDM-UHFFFAOYSA-N 2 0 240.395 1.433 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995623 588428446 /nfs/dbraw/zinc/42/84/46/588428446.db2.gz WZFGYGSNIWNZDQ-GFCCVEGCSA-N 2 0 238.379 1.551 20 30 BDEDRP CC[NH+]1CCC(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000848996322 588429034 /nfs/dbraw/zinc/42/90/34/588429034.db2.gz UACGRSGPJQAZSX-UHFFFAOYSA-N 2 0 240.395 1.198 20 30 BDEDRP CN1CC[NH+]=C1NCCCCCCC[NH+](C)C ZINC000848998176 588429933 /nfs/dbraw/zinc/42/99/33/588429933.db2.gz AMCFCWBBDTYFOT-UHFFFAOYSA-N 2 0 240.395 1.390 20 30 BDEDRP CN1CC[NH+]=C1NCCCCC[NH+]1CCCC1 ZINC000849033143 588443926 /nfs/dbraw/zinc/44/39/26/588443926.db2.gz CXWZXQJDDXQFQS-UHFFFAOYSA-N 2 0 238.379 1.144 20 30 BDEDRP CCNC(NCc1ccc2c[nH+]cn2c1)=[NH+]CC ZINC000849040133 588447274 /nfs/dbraw/zinc/44/72/74/588447274.db2.gz NAYNEHTWZUJECX-UHFFFAOYSA-N 2 0 245.330 1.409 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039731 588447287 /nfs/dbraw/zinc/44/72/87/588447287.db2.gz PIZHMYKAZLDLGA-UHFFFAOYSA-N 2 0 238.379 1.551 20 30 BDEDRP C#CCOCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000851744496 588621681 /nfs/dbraw/zinc/62/16/81/588621681.db2.gz HFFVOYWZRMZKLY-UHFFFAOYSA-N 2 0 238.375 1.441 20 30 BDEDRP C#CCOCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000851797451 588629732 /nfs/dbraw/zinc/62/97/32/588629732.db2.gz QYQDBJIQAUWYGA-UHFFFAOYSA-N 2 0 238.375 1.442 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000119100705 589242299 /nfs/dbraw/zinc/24/22/99/589242299.db2.gz UXOWSGQBGWNRRL-CHWSQXEVSA-N 2 0 240.416 1.673 20 30 BDEDRP C#CCSCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000120031044 589357768 /nfs/dbraw/zinc/35/77/68/589357768.db2.gz YPYMPYKYPNNGIG-RYUDHWBXSA-N 2 0 238.400 1.568 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000866585722 589501970 /nfs/dbraw/zinc/50/19/70/589501970.db2.gz SVOJRYFLNBOPDO-DGAVXFQQSA-N 2 0 233.359 1.705 20 30 BDEDRP C=CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262667 590980397 /nfs/dbraw/zinc/98/03/97/590980397.db2.gz RRDINYCDBFUVDL-LBPRGKRZSA-N 2 0 217.316 1.778 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000883389199 591640220 /nfs/dbraw/zinc/64/02/20/591640220.db2.gz MGKJVURQMXEJHX-CQSZACIVSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000883390271 591641099 /nfs/dbraw/zinc/64/10/99/591641099.db2.gz IRKPUBUKIIWYAA-YRGRVCCFSA-N 2 0 238.375 1.386 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000883390563 591643129 /nfs/dbraw/zinc/64/31/29/591643129.db2.gz PDTPMPGBNYMHOA-TZMCWYRMSA-N 2 0 240.391 1.633 20 30 BDEDRP C[NH+]=C(NCC[NH+]1CCC(C)CC1)NC1CC1 ZINC000103337921 592578655 /nfs/dbraw/zinc/57/86/55/592578655.db2.gz UGWGJVFOOHYBMM-UHFFFAOYSA-N 2 0 238.379 1.046 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153647 592602185 /nfs/dbraw/zinc/60/21/85/592602185.db2.gz HPDPXULDRHLQDI-UHFFFAOYSA-N 2 0 228.384 1.231 20 30 BDEDRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000104172166 634567916 /nfs/dbraw/zinc/56/79/16/634567916.db2.gz HUUNXKKKRWQXRW-LBPRGKRZSA-N 2 0 246.358 1.673 20 30 BDEDRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1C#N ZINC000925837356 635495197 /nfs/dbraw/zinc/49/51/97/635495197.db2.gz GDHOUIFLJOLYMG-TZMCWYRMSA-N 2 0 243.354 1.954 20 30 BDEDRP C[C@@H](C#N)C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892193334 631769668 /nfs/dbraw/zinc/76/96/68/631769668.db2.gz DLPKKTYANBWWOX-LBPRGKRZSA-N 2 0 235.375 1.952 20 30 BDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[NH+]2CCCC2)C1 ZINC000170907827 633175822 /nfs/dbraw/zinc/17/58/22/633175822.db2.gz AYDVTJHFTCIUHU-GFCCVEGCSA-N 2 0 238.379 1.129 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C ZINC000170911000 633177467 /nfs/dbraw/zinc/17/74/67/633177467.db2.gz JORSFLCRDMKEOK-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C#CCN(C)CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000327981312 633198370 /nfs/dbraw/zinc/19/83/70/633198370.db2.gz ACUKYDOBRHQKKX-CQSZACIVSA-N 2 0 220.360 1.887 20 30 BDEDRP C#CC[N@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000328059777 633228475 /nfs/dbraw/zinc/22/84/75/633228475.db2.gz BBKGDCSRGGKDOB-GOOCMWNKSA-N 2 0 249.402 1.156 20 30 BDEDRP N#CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925608749 634143747 /nfs/dbraw/zinc/14/37/47/634143747.db2.gz JALSDSPZKXHGFU-JZRPKSSGSA-N 2 0 219.332 1.266 20 30 BDEDRP CCCNC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000303882877 636315919 /nfs/dbraw/zinc/31/59/19/636315919.db2.gz LYFCAVRVPBTVKU-UHFFFAOYSA-N 2 0 242.411 1.813 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C(C)C ZINC000303981987 636320407 /nfs/dbraw/zinc/32/04/07/636320407.db2.gz PSTMZMGCARRRIC-UHFFFAOYSA-N 2 0 228.384 1.420 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911818836 639835634 /nfs/dbraw/zinc/83/56/34/639835634.db2.gz LWLJCCAYQJOCQK-VXGBXAGGSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000911879111 639865325 /nfs/dbraw/zinc/86/53/25/639865325.db2.gz CRCUVSVBLCJHSA-NWDGAFQWSA-N 2 0 241.379 1.304 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC000931438851 640203288 /nfs/dbraw/zinc/20/32/88/640203288.db2.gz QFUJXSVRHQJVJV-RFQIPJPRSA-N 2 0 233.359 1.562 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000231933194 641217022 /nfs/dbraw/zinc/21/70/22/641217022.db2.gz ANTXPYNDOFXZOA-WDEREUQCSA-N 2 0 214.378 1.623 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336998 644356150 /nfs/dbraw/zinc/35/61/50/644356150.db2.gz WGPBVRCGXPMAAM-KGLIPLIRSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923343038 644363315 /nfs/dbraw/zinc/36/33/15/644363315.db2.gz BFMAZFVGGRYVDQ-RWMBFGLXSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366296 644378138 /nfs/dbraw/zinc/37/81/38/644378138.db2.gz JPKFYIOMRIJGOV-UONOGXRCSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923414207 644416294 /nfs/dbraw/zinc/41/62/94/644416294.db2.gz KUEGWGREBUTUOR-LBPRGKRZSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923422379 644418622 /nfs/dbraw/zinc/41/86/22/644418622.db2.gz QOSFJOQWJAXCMW-GARJFASQSA-N 2 0 212.337 1.029 20 30 BDEDRP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516369 644478898 /nfs/dbraw/zinc/47/88/98/644478898.db2.gz BEHKQGFREGTWQT-LSDHHAIUSA-N 2 0 241.338 1.600 20 30 BDEDRP CCNC(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000303251429 644811311 /nfs/dbraw/zinc/81/13/11/644811311.db2.gz ALWCOLDYPWHCBM-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP CNC(NCCCC[N@@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303267731 644814722 /nfs/dbraw/zinc/81/47/22/644814722.db2.gz XMNBIOPSFSWQIF-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303385364 644819944 /nfs/dbraw/zinc/81/99/44/644819944.db2.gz VNAHSAPNOVPSJG-NEPJUHHUSA-N 2 0 240.395 1.421 20 30 BDEDRP CCCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303777819 644846948 /nfs/dbraw/zinc/84/69/48/644846948.db2.gz IZDPKIZJXTXDML-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303873633 644852914 /nfs/dbraw/zinc/85/29/14/644852914.db2.gz CQFGANCAYGREMW-GFCCVEGCSA-N 2 0 240.395 1.423 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303875791 644853006 /nfs/dbraw/zinc/85/30/06/644853006.db2.gz HTIYLGXHVMTGPW-LBPRGKRZSA-N 2 0 240.395 1.277 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303873279 644853016 /nfs/dbraw/zinc/85/30/16/644853016.db2.gz CKSKQENPHWQLDD-LBPRGKRZSA-N 2 0 238.379 1.129 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303875132 644853239 /nfs/dbraw/zinc/85/32/39/644853239.db2.gz HLXRWSQIAWJSRA-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303885958 644854598 /nfs/dbraw/zinc/85/45/98/644854598.db2.gz NNVPGBBJUVKZMN-LBPRGKRZSA-N 2 0 238.379 1.199 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000303911999 644857356 /nfs/dbraw/zinc/85/73/56/644857356.db2.gz ZZNCUHNXKPDFID-LLVKDONJSA-N 2 0 226.368 1.175 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000303974563 644861560 /nfs/dbraw/zinc/86/15/60/644861560.db2.gz IAGRIVLSTWALOD-UHFFFAOYSA-N 2 0 238.379 1.175 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303982504 644862731 /nfs/dbraw/zinc/86/27/31/644862731.db2.gz QEDVGERKSXDAPD-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000304764628 644933350 /nfs/dbraw/zinc/93/33/50/644933350.db2.gz YGTLVTWQFYVPLP-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925630165 646375640 /nfs/dbraw/zinc/37/56/40/646375640.db2.gz NVGSEAGHQDELDW-XQQFMLRXSA-N 2 0 240.391 1.667 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925630164 646376705 /nfs/dbraw/zinc/37/67/05/646376705.db2.gz NVGSEAGHQDELDW-RWMBFGLXSA-N 2 0 240.391 1.667 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925630222 646376712 /nfs/dbraw/zinc/37/67/12/646376712.db2.gz OLYPMGSZSZETAS-STQMWFEESA-N 2 0 238.375 1.435 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925769170 646470863 /nfs/dbraw/zinc/47/08/63/646470863.db2.gz BGYGNLVDCXIVQW-RWMBFGLXSA-N 2 0 240.391 1.809 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CC#N)CC1 ZINC000926347556 646621811 /nfs/dbraw/zinc/62/18/11/646621811.db2.gz ZVPJFEXRSILALD-FUNVUKJBSA-N 2 0 233.359 1.610 20 30 BDEDRP CCNC(NCC1([NH+](C)C)CCC1)=[NH+]CC ZINC000395659659 711213977 /nfs/dbraw/zinc/21/39/77/711213977.db2.gz CYXXYWRMXRTLLP-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716857790 712579130 /nfs/dbraw/zinc/57/91/30/712579130.db2.gz UUHCVIRXMBVZKN-AWEZNQCLSA-N 2 0 238.375 1.487 20 30 BDEDRP C=CCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205663357 967752323 /nfs/dbraw/zinc/75/23/23/967752323.db2.gz HYQORRPSPAPHGM-LBPRGKRZSA-N 2 0 212.337 1.128 20 30 BDEDRP C=C[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252558930 968804139 /nfs/dbraw/zinc/80/41/39/968804139.db2.gz KLKQHHRRYJKADC-CYBMUJFWSA-N 2 0 238.375 1.341 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252573110 968822045 /nfs/dbraw/zinc/82/20/45/968822045.db2.gz ZAOGPJDZAOAJEU-CYBMUJFWSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252602066 968859070 /nfs/dbraw/zinc/85/90/70/968859070.db2.gz KGIZQUALKWEPOO-CYBMUJFWSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCCCC[N@@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC001253195896 969108103 /nfs/dbraw/zinc/10/81/03/969108103.db2.gz SBNGRIPCKKYJOZ-CQSZACIVSA-N 2 0 242.407 1.977 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405430008 971254620 /nfs/dbraw/zinc/25/46/20/971254620.db2.gz RVSJUGWFHURRQR-NWDGAFQWSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCC1(C)CC[NH2+]CC1 ZINC001217831753 971425332 /nfs/dbraw/zinc/42/53/32/971425332.db2.gz JKDLPSWXERMLQO-GFCCVEGCSA-N 2 0 224.348 1.311 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218205572 971627181 /nfs/dbraw/zinc/62/71/81/971627181.db2.gz GBWRSSZXDUSBDG-CYBMUJFWSA-N 2 0 245.326 1.024 20 30 BDEDRP N#CC1(c2ccnc(N[C@@H]([NH3+])CCC[NH3+])c2)CC1 ZINC001170896274 972048305 /nfs/dbraw/zinc/04/83/05/972048305.db2.gz DQAJEZLTBPQQSE-LLVKDONJSA-N 2 0 245.330 1.072 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC12C[NH2+]C2 ZINC001246443953 972315964 /nfs/dbraw/zinc/31/59/64/972315964.db2.gz IVONBXKJNALUNY-BXUZGUMPSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC001221344985 972323803 /nfs/dbraw/zinc/32/38/03/972323803.db2.gz JNWQERZNQPATBA-LBPRGKRZSA-N 2 0 241.379 1.305 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309779 972438097 /nfs/dbraw/zinc/43/80/97/972438097.db2.gz RRSLDUJZYWRURD-CQSZACIVSA-N 2 0 237.391 1.370 20 30 BDEDRP Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708838016 959862218 /nfs/dbraw/zinc/86/22/18/959862218.db2.gz UGKLALGSCBTMMI-SWLSCSKDSA-N 2 0 243.354 1.893 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000692596176 960333480 /nfs/dbraw/zinc/33/34/80/960333480.db2.gz VSUMNCXXYBLROW-STQMWFEESA-N 2 0 208.349 1.862 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C#N)C[C@@H]2C1 ZINC000310389514 962858924 /nfs/dbraw/zinc/85/89/24/962858924.db2.gz IOTUUZPCHBZYFO-OLZOCXBDSA-N 2 0 235.375 1.810 20 30 BDEDRP CC1(Nc2cc[nH+]c(CC#N)c2)CC[NH2+]CC1 ZINC001168187786 963945031 /nfs/dbraw/zinc/94/50/31/963945031.db2.gz HCOMECDJFLCFTM-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP N#Cc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159779652 964191313 /nfs/dbraw/zinc/19/13/13/964191313.db2.gz GXXDFAMOVRAGHW-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C[Si](C)(C)C#CNC[C@]1(F)CCCC[NH2+]C1 ZINC001162580664 965051763 /nfs/dbraw/zinc/05/17/63/965051763.db2.gz UOOMCUBLZSJZQC-LBPRGKRZSA-N 2 0 242.414 1.896 20 30 BDEDRP C[Si](C)(C)C#CNC[C@@]1(F)CCCC[NH2+]C1 ZINC001162580659 965054747 /nfs/dbraw/zinc/05/47/47/965054747.db2.gz UOOMCUBLZSJZQC-GFCCVEGCSA-N 2 0 242.414 1.896 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205040606 967260037 /nfs/dbraw/zinc/26/00/37/967260037.db2.gz GLORNQDQMJGWPM-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP C=CCC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168762431 968021238 /nfs/dbraw/zinc/02/12/38/968021238.db2.gz BJUKAHQQWDJCON-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C#CCCC[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540186 968367429 /nfs/dbraw/zinc/36/74/29/968367429.db2.gz BBHAJSLHFPHXFK-ZDUSSCGKSA-N 2 0 208.349 1.851 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCC[NH+](CC)CC ZINC001252539223 968771689 /nfs/dbraw/zinc/77/16/89/968771689.db2.gz RANXNXVPRIRMQJ-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001252579567 968831879 /nfs/dbraw/zinc/83/18/79/968831879.db2.gz WTWLBVQHHGJUTL-CQSZACIVSA-N 2 0 240.391 1.779 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001252614806 968872348 /nfs/dbraw/zinc/87/23/48/968872348.db2.gz PAUQPISCNKQNMC-AWEZNQCLSA-N 2 0 240.391 1.778 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001208110811 969007656 /nfs/dbraw/zinc/00/76/56/969007656.db2.gz GTIXVHOKYHAABQ-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C#C[C@@H]1CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394631 969154584 /nfs/dbraw/zinc/15/45/84/969154584.db2.gz OXSMYABGHIFGDU-CHWSQXEVSA-N 2 0 238.375 1.081 20 30 BDEDRP C#C[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208608420 969166385 /nfs/dbraw/zinc/16/63/85/969166385.db2.gz IYXVJWDNVKMOPI-KBPBESRZSA-N 2 0 220.360 1.673 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC#N)C2 ZINC001169100745 969396485 /nfs/dbraw/zinc/39/64/85/969396485.db2.gz MHPQIADTSBEVSN-CNDDSTCGSA-N 2 0 207.321 1.505 20 30 BDEDRP C#CCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001209268523 969419104 /nfs/dbraw/zinc/41/91/04/969419104.db2.gz KIDBPGIVUZIYBX-STQMWFEESA-N 2 0 206.333 1.283 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCS)C2 ZINC001169107631 969450204 /nfs/dbraw/zinc/45/02/04/969450204.db2.gz IMKBORAWDSBDQT-RTCCRHLQSA-N 2 0 214.378 1.521 20 30 BDEDRP C#CC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155407 969470968 /nfs/dbraw/zinc/47/09/68/969470968.db2.gz OVXPFBNDYGKIJM-QDMKHBRRSA-N 2 0 232.371 1.957 20 30 BDEDRP N#CCc1cc(-n2ccc(C[NH3+])c2)cc[nH+]1 ZINC001169725854 969817873 /nfs/dbraw/zinc/81/78/73/969817873.db2.gz PBJMHFRFHSFVNG-UHFFFAOYSA-N 2 0 212.256 1.397 20 30 BDEDRP C=CC[N@@H+](C)CCN(CC)CC[NH+]1CCCC1 ZINC001169843282 969871429 /nfs/dbraw/zinc/87/14/29/969871429.db2.gz BJZCLRDAXGOLAX-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP CC[C@@H](CC#N)NC(=[NH2+])NCC[NH+](CC)CC ZINC001255163408 969974552 /nfs/dbraw/zinc/97/45/52/969974552.db2.gz GEYBJEGIKGPFHQ-NSHDSACASA-N 2 0 239.367 1.134 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC[NH3+] ZINC001171180980 972818089 /nfs/dbraw/zinc/81/80/89/972818089.db2.gz FNJBYJNBDOCTOO-LBPRGKRZSA-N 2 0 231.343 1.818 20 30 BDEDRP CC1(C#N)CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854969 973174545 /nfs/dbraw/zinc/17/45/45/973174545.db2.gz RRAFCPXBAWJHTP-GFJIZPEISA-N 2 0 233.359 1.882 20 30 BDEDRP C=CCCC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156701 974329391 /nfs/dbraw/zinc/32/93/91/974329391.db2.gz SCGYBMNVRSCLTG-QWRGUYRKSA-N 2 0 200.301 1.714 20 30 BDEDRP C#CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172124631 974350050 /nfs/dbraw/zinc/35/00/50/974350050.db2.gz MFAVXHJSCNUYPD-ITGUQSILSA-N 2 0 206.333 1.567 20 30 BDEDRP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2cncn2C1 ZINC001336726902 977886768 /nfs/dbraw/zinc/88/67/68/977886768.db2.gz FZVZFUBGELMKPC-VXGBXAGGSA-N 2 0 243.314 1.231 20 30 BDEDRP CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](C#N)CCC#N)C1 ZINC001336763768 977929358 /nfs/dbraw/zinc/92/93/58/977929358.db2.gz RSTPMRFANYYFGE-KGLIPLIRSA-N 2 0 248.374 1.750 20 30 BDEDRP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)CC1CC1 ZINC001341490152 979434699 /nfs/dbraw/zinc/43/46/99/979434699.db2.gz GODHHEQLNNDOCL-CQSZACIVSA-N 2 0 220.360 1.816 20 30 BDEDRP C#CCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205604815 981180915 /nfs/dbraw/zinc/18/09/15/981180915.db2.gz XSELZHZVYBFBLG-OLZOCXBDSA-N 2 0 208.349 1.707 20 30 BDEDRP C#CCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205604816 981181373 /nfs/dbraw/zinc/18/13/73/981181373.db2.gz XSELZHZVYBFBLG-QWHCGFSZSA-N 2 0 208.349 1.707 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001356083540 983570649 /nfs/dbraw/zinc/57/06/49/983570649.db2.gz RWIMOFSWGZPZHA-GRYCIOLGSA-N 2 0 210.321 1.001 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001253608762 986273959 /nfs/dbraw/zinc/27/39/59/986273959.db2.gz NJOUKCGMWFTZNS-RUXDESIVSA-N 2 0 240.391 1.776 20 30 BDEDRP COC[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001255567714 987019010 /nfs/dbraw/zinc/01/90/10/987019010.db2.gz ILKZQDCRXATBGO-NSHDSACASA-N 2 0 249.358 1.688 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC1([NH3+])CCCC1 ZINC001245973830 987252843 /nfs/dbraw/zinc/25/28/43/987252843.db2.gz IHWLKAYDTGTAAG-NSHDSACASA-N 2 0 212.337 1.175 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245993245 987270356 /nfs/dbraw/zinc/27/03/56/987270356.db2.gz NHSNCWJGSSOISB-XQQFMLRXSA-N 2 0 226.364 1.149 20 30 BDEDRP C=CCOC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246072944 987360672 /nfs/dbraw/zinc/36/06/72/987360672.db2.gz NGTBMOGCYIPUQB-UHFFFAOYSA-N 2 0 238.375 1.842 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001246120662 987468253 /nfs/dbraw/zinc/46/82/53/987468253.db2.gz NBRJDJUFQLKIDL-JHJVBQTASA-N 2 0 223.364 1.904 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001246120667 987469077 /nfs/dbraw/zinc/46/90/77/987469077.db2.gz NBRJDJUFQLKIDL-YNEHKIRRSA-N 2 0 223.364 1.904 20 30 BDEDRP CC[C@H]([NH3+])C[NH2+]C1CCC(CC#N)CC1 ZINC001246312047 987713443 /nfs/dbraw/zinc/71/34/43/987713443.db2.gz FBRBJZJSBINHRJ-CXQJBGSLSA-N 2 0 209.337 1.786 20 30 BDEDRP C#CC[N@@H+](CC1CC[NH+](CC)CC1)C1CC1 ZINC001474531425 987747643 /nfs/dbraw/zinc/74/76/43/987747643.db2.gz ATUXLRUPMJNMHU-UHFFFAOYSA-N 2 0 220.360 1.816 20 30 BDEDRP C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC001246562489 988004488 /nfs/dbraw/zinc/00/44/88/988004488.db2.gz NMQDHNONIAOBSJ-HBIQZDMRSA-N 2 0 207.321 1.348 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246627553 988298911 /nfs/dbraw/zinc/29/89/11/988298911.db2.gz MZLFUEGNKHCQGW-WDEREUQCSA-N 2 0 225.311 1.441 20 30 BDEDRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)CC[NH2+]1 ZINC001246796688 988470626 /nfs/dbraw/zinc/47/06/26/988470626.db2.gz KCVDKUJFUMGBAW-JHJVBQTASA-N 2 0 221.348 1.753 20 30 BDEDRP N#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246831690 988526235 /nfs/dbraw/zinc/52/62/35/988526235.db2.gz KCOCNIIILHYXEF-ICIURTGMSA-N 2 0 233.359 1.895 20 30 BDEDRP C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC[NH2+]1 ZINC001246835935 988534208 /nfs/dbraw/zinc/53/42/08/988534208.db2.gz VXPHVZVIIXKDCZ-XGFWRYKXSA-N 2 0 233.359 1.893 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246855153 988577938 /nfs/dbraw/zinc/57/79/38/988577938.db2.gz SXVROLCPRLUIPN-WOPDTQHZSA-N 2 0 207.321 1.492 20 30 BDEDRP CCC#C[C@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560136918 991392716 /nfs/dbraw/zinc/39/27/16/991392716.db2.gz LQKHDLSEKYEWQN-MELADBBJSA-N 2 0 220.360 1.957 20 30 BDEDRP CC#CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC001560723069 991575569 /nfs/dbraw/zinc/57/55/69/991575569.db2.gz HSUZWNTVTGKXJJ-UHFFFAOYSA-N 2 0 238.375 1.225 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001258720315 991653274 /nfs/dbraw/zinc/65/32/74/991653274.db2.gz YNPVOQUBUNLNIC-ZDUSSCGKSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](C)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001258725994 991667933 /nfs/dbraw/zinc/66/79/33/991667933.db2.gz PFEDHUJHOQZDCX-CQSZACIVSA-N 2 0 239.407 1.698 20 30 BDEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001574835723 992924724 /nfs/dbraw/zinc/92/47/24/992924724.db2.gz FGMLRVIJUVGPLU-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574907516 992940687 /nfs/dbraw/zinc/94/06/87/992940687.db2.gz OOSVNIWWBYWEQV-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[N@@H+](C[C@H](O)CC[NH3+])CC1CCCCC1 ZINC001574927039 992945280 /nfs/dbraw/zinc/94/52/80/992945280.db2.gz BYQIITQDIBKHHN-CQSZACIVSA-N 2 0 240.391 1.764 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC001574961238 992950878 /nfs/dbraw/zinc/95/08/78/992950878.db2.gz WQQJIMRJACPIHO-XQHKEYJVSA-N 2 0 224.348 1.165 20 30 BDEDRP CC(C)(CC#N)C[NH2+]CCC1([NH3+])CCOCC1 ZINC001575297607 993005311 /nfs/dbraw/zinc/00/53/11/993005311.db2.gz FXQKTHMUAWKDCJ-UHFFFAOYSA-N 2 0 239.363 1.414 20 30 BDEDRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001575428715 993041378 /nfs/dbraw/zinc/04/13/78/993041378.db2.gz KIZVTMXIAKADKI-SDDRHHMPSA-N 2 0 209.337 1.499 20 30 BDEDRP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC001308134486 995561788 /nfs/dbraw/zinc/56/17/88/995561788.db2.gz BMOUVWUCLQRSSJ-ZIAGYGMSSA-N 2 0 240.391 1.730 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000424291566 398180490 /nfs/dbraw/zinc/18/04/90/398180490.db2.gz DQJJXTSGISDYNR-RQJABVFESA-N 2 0 238.375 1.650 20 30 BDEDRP C[C@@H](CCC#N)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602493882 349572847 /nfs/dbraw/zinc/57/28/47/349572847.db2.gz MTMKWHGNXKBTAI-SDDRHHMPSA-N 2 0 207.321 1.077 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000231798708 342693923 /nfs/dbraw/zinc/69/39/23/342693923.db2.gz FFXDUDCHTCLTSS-RYUDHWBXSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000231930174 342761202 /nfs/dbraw/zinc/76/12/02/342761202.db2.gz GGSHPGMQAUXBMG-WDEREUQCSA-N 2 0 214.378 1.765 20 30 BDEDRP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000625704648 344049902 /nfs/dbraw/zinc/04/99/02/344049902.db2.gz ZFWZVPXBACERIF-STQMWFEESA-N 2 0 226.364 1.197 20 30 BDEDRP C[NH+](C)C1CCN(CCCCC#N)CC1 ZINC000049579407 344654313 /nfs/dbraw/zinc/65/43/13/344654313.db2.gz BSBZBQMLPPELGH-UHFFFAOYSA-N 2 0 209.337 1.706 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000320264781 323104707 /nfs/dbraw/zinc/10/47/07/323104707.db2.gz KNLNMNFFUWDFIU-AWEZNQCLSA-N 2 0 240.391 1.778 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309955148 347204774 /nfs/dbraw/zinc/20/47/74/347204774.db2.gz HWLCRCVJULLKIU-JHJVBQTASA-N 2 0 221.348 1.610 20 30 BDEDRP C[C@H]1CCN(Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495886 347788550 /nfs/dbraw/zinc/78/85/50/347788550.db2.gz UXSJIARWVRSZSE-SMDDNHRTSA-N 2 0 244.342 1.370 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470787 347789328 /nfs/dbraw/zinc/78/93/28/347789328.db2.gz HJZKIZYWEPMCHS-YNEHKIRRSA-N 2 0 235.375 1.904 20 30 BDEDRP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595887024 348389191 /nfs/dbraw/zinc/38/91/91/348389191.db2.gz BIOBDQVIBWTVNM-WFASDCNBSA-N 2 0 243.354 1.770 20 30 BDEDRP C#CC[NH+](CC)CCCC[N@@H+](CC)CC#C ZINC000267287465 187398946 /nfs/dbraw/zinc/39/89/46/187398946.db2.gz JIOUJGDWRHEZBB-UHFFFAOYSA-N 2 0 220.360 1.677 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000596652417 348607153 /nfs/dbraw/zinc/60/71/53/348607153.db2.gz UEWWAOJFAJAFJN-CABCVRRESA-N 2 0 243.354 1.818 20 30 BDEDRP CC#CCN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336646691 350415340 /nfs/dbraw/zinc/41/53/40/350415340.db2.gz LCWLUPFKLVYQKP-OLZOCXBDSA-N 2 0 208.349 1.814 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000577468508 365960386 /nfs/dbraw/zinc/96/03/86/365960386.db2.gz HCYNTPYDFRAWBO-MCIONIFRSA-N 2 0 238.375 1.794 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539169 362958365 /nfs/dbraw/zinc/95/83/65/362958365.db2.gz CKBFOYWVRIQOIJ-XQQFMLRXSA-N 2 0 238.375 1.792 20 30 BDEDRP CC(C)(C#N)CCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000232532230 353112910 /nfs/dbraw/zinc/11/29/10/353112910.db2.gz HDDNHMZNJIPOOR-CHWSQXEVSA-N 2 0 235.375 1.858 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050245327 181105669 /nfs/dbraw/zinc/10/56/69/181105669.db2.gz ZCNVLBKOXCOUSH-CYBMUJFWSA-N 2 0 215.300 1.339 20 30 BDEDRP C=CCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324225 192227880 /nfs/dbraw/zinc/22/78/80/192227880.db2.gz HDUUYPXJFHLXCC-CYBMUJFWSA-N 2 0 238.375 1.640 20 30 BDEDRP C=C(C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758021 356667174 /nfs/dbraw/zinc/66/71/74/356667174.db2.gz OLCXVDXASKLHTK-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000303266727 134233179 /nfs/dbraw/zinc/23/31/79/134233179.db2.gz WHZWFTHOYMXKJG-LBPRGKRZSA-N 2 0 238.379 1.127 20 30 BDEDRP C=CCN1CCC([NH2+]C2CSC2)CC1 ZINC000308497730 491136639 /nfs/dbraw/zinc/13/66/39/491136639.db2.gz DXQHYSKKRPBSCE-UHFFFAOYSA-N 2 0 212.362 1.342 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000246569179 359147653 /nfs/dbraw/zinc/14/76/53/359147653.db2.gz AMYRKPKAHHTFOF-OLZOCXBDSA-N 2 0 226.364 1.197 20 30 BDEDRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424364033 200922127 /nfs/dbraw/zinc/92/21/27/200922127.db2.gz CSLSRJCBLKJOEA-ZDEQEGDKSA-N 2 0 221.348 1.656 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550529 361442818 /nfs/dbraw/zinc/44/28/18/361442818.db2.gz OCGIDDPTWVDVIC-CHWSQXEVSA-N 2 0 236.359 1.405 20 30 BDEDRP CC#CCCN1CCC([N@H+](C)CCCO)CC1 ZINC000155719435 201347662 /nfs/dbraw/zinc/34/76/62/201347662.db2.gz OIJRVNCTGKEBTP-UHFFFAOYSA-N 2 0 238.375 1.178 20 30 BDEDRP C=C(C)CC[NH2+]Cc1cnc(N(C)C)n1C ZINC000386737021 368014192 /nfs/dbraw/zinc/01/41/92/368014192.db2.gz XBLPHQIOSFEHPL-UHFFFAOYSA-N 2 0 222.336 1.542 20 30 BDEDRP N#Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000600769452 369561176 /nfs/dbraw/zinc/56/11/76/369561176.db2.gz NHURBANLJNRXHU-MFKMUULPSA-N 2 0 231.299 1.335 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000600769755 369562639 /nfs/dbraw/zinc/56/26/39/369562639.db2.gz QHENLDVGXRMYKY-ZWNOBZJWSA-N 2 0 233.315 1.758 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601325511 369621544 /nfs/dbraw/zinc/62/15/44/369621544.db2.gz DMMVHCWDNOKLPQ-BXUZGUMPSA-N 2 0 229.327 1.585 20 30 BDEDRP Cc1ccc(CN2C[C@@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328832 369621756 /nfs/dbraw/zinc/62/17/56/369621756.db2.gz AJWSKUMECAIATM-FZMZJTMJSA-N 2 0 229.327 1.788 20 30 BDEDRP C[C@H]1C[C@@H]([NH3+])CN1CCc1ccc(C#N)cc1 ZINC000601329710 369621865 /nfs/dbraw/zinc/62/18/65/369621865.db2.gz MMNBNVOAQKSTGS-SMDDNHRTSA-N 2 0 229.327 1.522 20 30 BDEDRP Cc1ccc(CN2C[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328831 369621909 /nfs/dbraw/zinc/62/19/09/369621909.db2.gz AJWSKUMECAIATM-BXUZGUMPSA-N 2 0 229.327 1.788 20 30 BDEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000603434100 369966154 /nfs/dbraw/zinc/96/61/54/369966154.db2.gz QAXJEQPEDFDAJT-KBPBESRZSA-N 2 0 243.354 1.816 20 30 BDEDRP CC#CCN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174773597 206006165 /nfs/dbraw/zinc/00/61/65/206006165.db2.gz MBZFUNSLEBLHRZ-OLZOCXBDSA-N 2 0 208.349 1.672 20 30 BDEDRP C[C@H](CNCc1ccc(C#N)o1)C[NH+]1CCCC1 ZINC000135152684 384066068 /nfs/dbraw/zinc/06/60/68/384066068.db2.gz IAAYMDBXGARPER-GFCCVEGCSA-N 2 0 247.342 1.973 20 30 BDEDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000126872367 384182288 /nfs/dbraw/zinc/18/22/88/384182288.db2.gz VXDMVVACLATWQN-BXUZGUMPSA-N 2 0 229.327 1.727 20 30 BDEDRP C#CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000368580568 533055319 /nfs/dbraw/zinc/05/53/19/533055319.db2.gz NTXSXKPQPIAJOA-OAHLLOKOSA-N 2 0 249.402 1.112 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308839709 384343708 /nfs/dbraw/zinc/34/37/08/384343708.db2.gz JQNGPZJKCQWGQU-GRYCIOLGSA-N 2 0 209.337 1.608 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000336660095 384684032 /nfs/dbraw/zinc/68/40/32/384684032.db2.gz BBJJZOXOKTZTCC-QWHCGFSZSA-N 2 0 221.348 1.754 20 30 BDEDRP C[N@@H+]1CCC[C@@H]2CN(CC3(C#N)CC3)CC[C@@H]21 ZINC000334460950 386124057 /nfs/dbraw/zinc/12/40/57/386124057.db2.gz VIRLKAWDWBBJEY-OLZOCXBDSA-N 2 0 233.359 1.706 20 30 BDEDRP C=CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975020 386549052 /nfs/dbraw/zinc/54/90/52/386549052.db2.gz HQHVOXJZQQRIRF-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000228726100 387122520 /nfs/dbraw/zinc/12/25/20/387122520.db2.gz FQNNKQVVXOZZAJ-ZDUSSCGKSA-N 2 0 241.379 1.219 20 30 BDEDRP C[N@H+](CCCC[NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000571755863 387160618 /nfs/dbraw/zinc/16/06/18/387160618.db2.gz PWFAEAVMHWXHBZ-ZDUSSCGKSA-N 2 0 248.374 1.894 20 30 BDEDRP CCN(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192748341 387530979 /nfs/dbraw/zinc/53/09/79/387530979.db2.gz CNRVDVCNTGNKIC-NWDGAFQWSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423014119 387836089 /nfs/dbraw/zinc/83/60/89/387836089.db2.gz OKXZRYGWIYZXGF-OLZOCXBDSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423016140 387838945 /nfs/dbraw/zinc/83/89/45/387838945.db2.gz LYPSGHUXNBDQIO-RWMBFGLXSA-N 2 0 226.364 1.278 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423018857 387841096 /nfs/dbraw/zinc/84/10/96/387841096.db2.gz SCERODALIMKISJ-CPCZMJQVSA-N 2 0 226.364 1.278 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423092328 387883460 /nfs/dbraw/zinc/88/34/60/387883460.db2.gz BJFZLHZFUHJIQP-VXGBXAGGSA-N 2 0 221.348 1.930 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000423095869 387884682 /nfs/dbraw/zinc/88/46/82/387884682.db2.gz NHYHVJAWRQDAEQ-NEPJUHHUSA-N 2 0 221.348 1.658 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423098547 387886340 /nfs/dbraw/zinc/88/63/40/387886340.db2.gz SEFGVMLXGPXLJM-LOWDOPEQSA-N 2 0 226.364 1.683 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000321043330 387935980 /nfs/dbraw/zinc/93/59/80/387935980.db2.gz TXOWWAFQVFJEDC-SWHYSGLUSA-N 2 0 232.327 1.658 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000424369783 387994228 /nfs/dbraw/zinc/99/42/28/387994228.db2.gz RRSIYYNOHNOHFN-UTUOFQBUSA-N 2 0 207.321 1.268 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000424383087 388000781 /nfs/dbraw/zinc/00/07/81/388000781.db2.gz SZEXVTGQEHQDNF-XQHKEYJVSA-N 2 0 224.348 1.295 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000424385518 388001461 /nfs/dbraw/zinc/00/14/61/388001461.db2.gz WGTFAQKAXNWEOQ-WYUUTHIRSA-N 2 0 212.337 1.293 20 30 BDEDRP C=C(C)COCC[NH2+][C@H](C)CCCC[NH3+] ZINC000336659070 388083940 /nfs/dbraw/zinc/08/39/40/388083940.db2.gz BNUUEWCPOXGGDX-GFCCVEGCSA-N 2 0 214.353 1.686 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449521820 388223433 /nfs/dbraw/zinc/22/34/33/388223433.db2.gz SOGCBSADAQJEKI-KGLIPLIRSA-N 2 0 238.375 1.792 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423105535 388688195 /nfs/dbraw/zinc/68/81/95/388688195.db2.gz QRLFVJFXULYWGL-KGLIPLIRSA-N 2 0 229.327 1.570 20 30 BDEDRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1C#N ZINC000423129023 388688371 /nfs/dbraw/zinc/68/83/71/388688371.db2.gz WKLASQHWTWHFRK-MNOVXSKESA-N 2 0 247.342 1.782 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565223780 388928373 /nfs/dbraw/zinc/92/83/73/388928373.db2.gz AMDFXMIWZOFAMU-QCNOEVLYSA-N 2 0 210.321 1.189 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351536784 133973535 /nfs/dbraw/zinc/97/35/35/133973535.db2.gz SCBVHKOISJTOSO-AWEZNQCLSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371087705 134227027 /nfs/dbraw/zinc/22/70/27/134227027.db2.gz MSFLKAPXTDGWEO-UHFFFAOYSA-N 2 0 238.375 1.607 20 30 BDEDRP C#CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371185207 134227563 /nfs/dbraw/zinc/22/75/63/134227563.db2.gz QTVSERKVRDLAGI-HZSPNIEDSA-N 2 0 236.359 1.193 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263122969 135125257 /nfs/dbraw/zinc/12/52/57/135125257.db2.gz MGFPCRSMMTWRLE-LBPRGKRZSA-N 2 0 238.379 1.142 20 30 BDEDRP C=CC[N@@H+](CCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261534642 135167580 /nfs/dbraw/zinc/16/75/80/135167580.db2.gz SHBJAAYBJHZGEJ-CHWSQXEVSA-N 2 0 226.364 1.509 20 30 BDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587044 135228139 /nfs/dbraw/zinc/22/81/39/135228139.db2.gz UTZUUDUAOVKXTP-ZNMIVQPWSA-N 2 0 241.338 1.727 20 30 BDEDRP CC(C)[NH+](CCNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000261589319 135230096 /nfs/dbraw/zinc/23/00/96/135230096.db2.gz TTYHESCCLWPONK-NSHDSACASA-N 2 0 226.368 1.043 20 30 BDEDRP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCC(C)CC1 ZINC000262683227 135313303 /nfs/dbraw/zinc/31/33/03/135313303.db2.gz XGTIUMLJOQOLLX-RYUDHWBXSA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000348039096 136028677 /nfs/dbraw/zinc/02/86/77/136028677.db2.gz UJQSPMUMCPLHPA-ZDUSSCGKSA-N 2 0 226.364 1.463 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400945802 411165756 /nfs/dbraw/zinc/16/57/56/411165756.db2.gz USSAZBGLYFIKKM-XJFOESAGSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CCOCCC[NH2+]Cc1cnc(C)n1C ZINC000657659445 411572694 /nfs/dbraw/zinc/57/26/94/411572694.db2.gz XTQCEQBPYUCLCF-UHFFFAOYSA-N 2 0 223.320 1.411 20 30 BDEDRP C=CC[NH+](CC=C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249626 412046381 /nfs/dbraw/zinc/04/63/81/412046381.db2.gz QQLZJFSGXZQTBH-LBPRGKRZSA-N 2 0 222.332 1.181 20 30 BDEDRP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000662299650 412087316 /nfs/dbraw/zinc/08/73/16/412087316.db2.gz TYTRZGPBBLHYFL-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319753 412101500 /nfs/dbraw/zinc/10/15/00/412101500.db2.gz LVLWXQUAPRLCSS-ZDUSSCGKSA-N 2 0 226.364 1.605 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665263443 412205143 /nfs/dbraw/zinc/20/51/43/412205143.db2.gz MGECXKRCVDMGNP-MELADBBJSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665263145 412206233 /nfs/dbraw/zinc/20/62/33/412206233.db2.gz GTKZVDRVOZARAK-QWRGUYRKSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277660 412221258 /nfs/dbraw/zinc/22/12/58/412221258.db2.gz HOMMQDZJIKVOPO-ZFDZMSFRSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000320598955 323182334 /nfs/dbraw/zinc/18/23/34/323182334.db2.gz DACPASXHWPCRKR-NWDGAFQWSA-N 2 0 214.353 1.421 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000309014129 323189832 /nfs/dbraw/zinc/18/98/32/323189832.db2.gz YQKRVWUZVYYDSW-SNVBAGLBSA-N 2 0 203.289 1.243 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593319758 490136217 /nfs/dbraw/zinc/13/62/17/490136217.db2.gz PEIKYWNJMKNTGD-NEPJUHHUSA-N 2 0 221.348 1.787 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400945796 491069163 /nfs/dbraw/zinc/06/91/63/491069163.db2.gz USSAZBGLYFIKKM-AAVRWANBSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CCNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000262675755 534844259 /nfs/dbraw/zinc/84/42/59/534844259.db2.gz AHQABZZCFGYFEB-UHFFFAOYSA-N 2 0 238.379 1.199 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676684 535169374 /nfs/dbraw/zinc/16/93/74/535169374.db2.gz UFUVNFJDMQQLHO-NWDGAFQWSA-N 2 0 238.379 1.044 20 30 BDEDRP CC[NH+]1CCC(CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262673658 535443720 /nfs/dbraw/zinc/44/37/20/535443720.db2.gz SFOPBYMZPBZRGU-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000893865240 583234535 /nfs/dbraw/zinc/23/45/35/583234535.db2.gz CELKIVYXHJABDZ-UHFFFAOYSA-N 2 0 244.342 1.385 20 30 BDEDRP C#CCN(Cc1cnc2n1CCC2)C(C)C ZINC000897171391 583889257 /nfs/dbraw/zinc/88/92/57/583889257.db2.gz XQVBPKFWNRHCGK-UHFFFAOYSA-N 2 0 217.316 1.673 20 30 BDEDRP CC[C@H](C)CON=C(C)c1c[nH]c(N)[nH+]1 ZINC000901246044 584408146 /nfs/dbraw/zinc/40/81/46/584408146.db2.gz KRRMFBDCVWTIML-ZETCQYMHSA-N 2 0 210.281 1.779 20 30 BDEDRP C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903425012 584765455 /nfs/dbraw/zinc/76/54/55/584765455.db2.gz ORAMIFPIRUQXED-GFJIZPEISA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903447431 584770738 /nfs/dbraw/zinc/77/07/38/584770738.db2.gz RZBMMXSNERRWEF-ABXWRUBCSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@]1(C[NH3+])CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903453071 584772714 /nfs/dbraw/zinc/77/27/14/584772714.db2.gz YEAOUKOJSKOROB-JXQTWKCFSA-N 2 0 235.375 1.987 20 30 BDEDRP C[N@H+](CCCCC1(C#N)CCC1)C[C@@H](O)C[NH3+] ZINC000903752037 584795782 /nfs/dbraw/zinc/79/57/82/584795782.db2.gz PBUBMMZQQRSIBO-LBPRGKRZSA-N 2 0 239.363 1.102 20 30 BDEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000795084137 586068500 /nfs/dbraw/zinc/06/85/00/586068500.db2.gz FKRHHYDTWPHMML-UHFFFAOYSA-N 2 0 229.327 1.535 20 30 BDEDRP C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000801933976 586278832 /nfs/dbraw/zinc/27/88/32/586278832.db2.gz XCZQRGWCZNEUKW-RYUDHWBXSA-N 2 0 248.330 1.518 20 30 BDEDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OCC#N)cc1 ZINC000817953671 586848996 /nfs/dbraw/zinc/84/89/96/586848996.db2.gz SHVUHZKBMFMTBQ-NWDGAFQWSA-N 2 0 247.342 1.977 20 30 BDEDRP C#C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000847021319 588302881 /nfs/dbraw/zinc/30/28/81/588302881.db2.gz JNAZGGLJHLUYEL-KGLIPLIRSA-N 2 0 220.360 1.816 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000848982604 588422844 /nfs/dbraw/zinc/42/28/44/588422844.db2.gz JSJRGXQYAIYPAN-UHFFFAOYSA-N 2 0 238.379 1.552 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849046886 588450411 /nfs/dbraw/zinc/45/04/11/588450411.db2.gz MTWRVXBXHPNOJK-UHFFFAOYSA-N 2 0 240.395 1.654 20 30 BDEDRP CCCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000109350548 588547848 /nfs/dbraw/zinc/54/78/48/588547848.db2.gz IVWUKILUXJDSPL-UHFFFAOYSA-N 2 0 241.423 1.794 20 30 BDEDRP C=CC[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315096 590542293 /nfs/dbraw/zinc/54/22/93/590542293.db2.gz FWEZXWTYNHMERZ-CQSZACIVSA-N 2 0 239.407 1.520 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001056 590674023 /nfs/dbraw/zinc/67/40/23/590674023.db2.gz OEMIARWSXBPHDK-ZIAGYGMSSA-N 2 0 240.391 1.994 20 30 BDEDRP C=C(C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590524 590824477 /nfs/dbraw/zinc/82/44/77/590824477.db2.gz GAMFLJYZBHRFOA-UHFFFAOYSA-N 2 0 237.391 1.274 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000883390295 591641360 /nfs/dbraw/zinc/64/13/60/591641360.db2.gz JBZPZHWTIVTIHO-JHJVBQTASA-N 2 0 238.375 1.528 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000883390269 591641671 /nfs/dbraw/zinc/64/16/71/591641671.db2.gz IRKPUBUKIIWYAA-OUCADQQQSA-N 2 0 238.375 1.386 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000883390201 591641847 /nfs/dbraw/zinc/64/18/47/591641847.db2.gz HYSVQTNBKJHIQW-JHJVBQTASA-N 2 0 226.364 1.386 20 30 BDEDRP C=CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130255 592449291 /nfs/dbraw/zinc/44/92/91/592449291.db2.gz AFICGEXLPDJRQA-GFCCVEGCSA-N 2 0 217.316 1.778 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222109058 592467289 /nfs/dbraw/zinc/46/72/89/592467289.db2.gz UXOWSGQBGWNRRL-STQMWFEESA-N 2 0 240.416 1.673 20 30 BDEDRP CC(C)NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000104168256 592602879 /nfs/dbraw/zinc/60/28/79/592602879.db2.gz VTFPUSYLCNWFAW-NSHDSACASA-N 2 0 226.368 1.031 20 30 BDEDRP CN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732532 631494758 /nfs/dbraw/zinc/49/47/58/631494758.db2.gz RAHZRJHKRYFSMI-SYQHCUMBSA-N 2 0 233.359 1.562 20 30 BDEDRP CCCC[N@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000849005845 631907028 /nfs/dbraw/zinc/90/70/28/631907028.db2.gz WSDRWHNHDWXLDL-UHFFFAOYSA-N 2 0 228.384 1.198 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCC#N ZINC000924942604 635796186 /nfs/dbraw/zinc/79/61/86/635796186.db2.gz OVESQJZAUABWPK-FUNVUKJBSA-N 2 0 221.348 1.610 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682331 634283552 /nfs/dbraw/zinc/28/35/52/634283552.db2.gz AXIQSYQLQBPJQI-XQHKEYJVSA-N 2 0 238.375 1.826 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N(CC)CC ZINC000303979240 636319835 /nfs/dbraw/zinc/31/98/35/636319835.db2.gz MYUVUOCYDZMZTQ-LLVKDONJSA-N 2 0 228.384 1.373 20 30 BDEDRP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252959228 636777874 /nfs/dbraw/zinc/77/78/74/636777874.db2.gz UCIWJQDOYKMUTE-UPJWGTAASA-N 2 0 206.333 1.615 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911799613 639820583 /nfs/dbraw/zinc/82/05/83/639820583.db2.gz IZOXIRMZYWMJLM-NSHDSACASA-N 2 0 239.363 1.058 20 30 BDEDRP C=C(Cl)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167658675 640735991 /nfs/dbraw/zinc/73/59/91/640735991.db2.gz XMGXVPXJYPFWIP-WPRPVWTQSA-N 2 0 202.729 1.656 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933739180 640758355 /nfs/dbraw/zinc/75/83/55/640758355.db2.gz DTEACGPCUWMAGH-MCIONIFRSA-N 2 0 238.375 1.197 20 30 BDEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N(C)C ZINC000170903768 640936321 /nfs/dbraw/zinc/93/63/21/640936321.db2.gz YIABCQPWZTYINT-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP C#CCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247034956 642383785 /nfs/dbraw/zinc/38/37/85/642383785.db2.gz LMDYZYMCBOPNDU-STQMWFEESA-N 2 0 208.349 1.720 20 30 BDEDRP C[NH+]1CCC(NCc2csc(C#N)c2)CC1 ZINC000921498590 642926859 /nfs/dbraw/zinc/92/68/59/642926859.db2.gz JGXWNGCBHAEMOB-UHFFFAOYSA-N 2 0 235.356 1.804 20 30 BDEDRP C=C(Cl)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082474976 643320015 /nfs/dbraw/zinc/32/00/15/643320015.db2.gz GWNBUNKQIBRAEY-VIFPVBQESA-N 2 0 202.729 1.798 20 30 BDEDRP CNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000080624350 644280424 /nfs/dbraw/zinc/28/04/24/644280424.db2.gz ACDYBJRXFSMOKM-UHFFFAOYSA-N 2 0 214.357 1.029 20 30 BDEDRP C=CC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923313903 644340147 /nfs/dbraw/zinc/34/01/47/644340147.db2.gz ZURXBKJCMXQJCV-CYBMUJFWSA-N 2 0 236.359 1.263 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000923329129 644347705 /nfs/dbraw/zinc/34/77/05/644347705.db2.gz YCYLFUKXIAJUCR-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000923327125 644352505 /nfs/dbraw/zinc/35/25/05/644352505.db2.gz NQFZNHARXHTAFZ-AWEZNQCLSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355489 644372835 /nfs/dbraw/zinc/37/28/35/644372835.db2.gz MSWKATMNUCVOCK-ZIAGYGMSSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366295 644377706 /nfs/dbraw/zinc/37/77/06/644377706.db2.gz JPKFYIOMRIJGOV-KGLIPLIRSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923383592 644395757 /nfs/dbraw/zinc/39/57/57/644395757.db2.gz UMKUGIQANBENNY-MQYQWHSLSA-N 2 0 240.391 1.619 20 30 BDEDRP C=CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450120 644439354 /nfs/dbraw/zinc/43/93/54/644439354.db2.gz FKVUJJDRVHTKMO-NSHDSACASA-N 2 0 210.321 1.002 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303260117 644813299 /nfs/dbraw/zinc/81/32/99/644813299.db2.gz MSNKJYBFQHGKMZ-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000303718834 644841124 /nfs/dbraw/zinc/84/11/24/644841124.db2.gz VHKPILGQQGDXSL-UHFFFAOYSA-N 2 0 240.395 1.279 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000304740575 644928643 /nfs/dbraw/zinc/92/86/43/644928643.db2.gz BSRFYEWUUKBESX-LBPRGKRZSA-N 2 0 238.379 1.033 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304751459 644928980 /nfs/dbraw/zinc/92/89/80/644928980.db2.gz JHCRNQJMAMEUDE-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779748 646308101 /nfs/dbraw/zinc/30/81/01/646308101.db2.gz IISMKSXGLPIBMF-YNEHKIRRSA-N 2 0 239.363 1.066 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549975 646327084 /nfs/dbraw/zinc/32/70/84/646327084.db2.gz OKCVQWZIIXRERE-OCCSQVGLSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549976 646327409 /nfs/dbraw/zinc/32/74/09/646327409.db2.gz OKCVQWZIIXRERE-TZMCWYRMSA-N 2 0 237.391 1.367 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925769853 646471532 /nfs/dbraw/zinc/47/15/32/646471532.db2.gz GCRGFXQDKUAVBG-RWMBFGLXSA-N 2 0 226.364 1.291 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925771640 646473635 /nfs/dbraw/zinc/47/36/35/646473635.db2.gz NJGWZVLMCNFHAJ-XJFOESAGSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809059 646489941 /nfs/dbraw/zinc/48/99/41/646489941.db2.gz HQBPYWXKIDBNBH-CQSZACIVSA-N 2 0 239.407 1.744 20 30 BDEDRP N#CCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926132541 646582106 /nfs/dbraw/zinc/58/21/06/646582106.db2.gz MBWGWTOXIWCRAN-STQMWFEESA-N 2 0 221.348 1.897 20 30 BDEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000716857792 712579056 /nfs/dbraw/zinc/57/90/56/712579056.db2.gz UUHCVIRXMBVZKN-CQSZACIVSA-N 2 0 238.375 1.487 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cc[nH]c1 ZINC000381997852 710764680 /nfs/dbraw/zinc/76/46/80/710764680.db2.gz IYPGYZXVYDGNPG-UHFFFAOYSA-N 2 0 205.305 1.059 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000392922878 711154023 /nfs/dbraw/zinc/15/40/23/711154023.db2.gz GGTVRGLXGOYEJP-UHFFFAOYSA-N 2 0 240.350 1.890 20 30 BDEDRP C#CCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000178060077 711674589 /nfs/dbraw/zinc/67/45/89/711674589.db2.gz NOFGQJHSHURCCL-NEPJUHHUSA-N 2 0 206.333 1.615 20 30 BDEDRP C=CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874204 712873361 /nfs/dbraw/zinc/87/33/61/712873361.db2.gz WZSWRBNZSRNHQX-BDAKNGLRSA-N 2 0 222.254 1.632 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206296071 968200492 /nfs/dbraw/zinc/20/04/92/968200492.db2.gz PFIZENOACCBAFU-CYBMUJFWSA-N 2 0 225.380 1.213 20 30 BDEDRP C=CCC[C@H](O)C[N@H+](CC)CCC[NH+](C)C ZINC001252601646 968859254 /nfs/dbraw/zinc/85/92/54/968859254.db2.gz AZCBSUVFOJMFMM-ZDUSSCGKSA-N 2 0 228.380 1.587 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001253607017 969304718 /nfs/dbraw/zinc/30/47/18/969304718.db2.gz QJDQGAHGSXARME-CQSZACIVSA-N 2 0 240.391 1.491 20 30 BDEDRP N#CCC1CCC([NH2+]CCCC[NH3+])CC1 ZINC001173327955 975275891 /nfs/dbraw/zinc/27/58/91/975275891.db2.gz LGXJJACJVQVFBW-UHFFFAOYSA-N 2 0 209.337 1.787 20 30 BDEDRP C=CCOC1CCC([NH2+]C[C@H](C)C[NH3+])CC1 ZINC001173316967 975303734 /nfs/dbraw/zinc/30/37/34/975303734.db2.gz PZNIZRRXILMNCF-PNESKVBLSA-N 2 0 226.364 1.685 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC001333021330 975374567 /nfs/dbraw/zinc/37/45/67/975374567.db2.gz DXYAYRQRTBFMFE-LLVKDONJSA-N 2 0 220.320 1.496 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC001350956100 982139064 /nfs/dbraw/zinc/13/90/64/982139064.db2.gz LYPKQNOLAROBKA-WXRRBKDZSA-N 2 0 226.364 1.421 20 30 BDEDRP C[C@@H](CCCC#N)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172486367 974790675 /nfs/dbraw/zinc/79/06/75/974790675.db2.gz BDXMKIBCHUMTBF-ZDUSSCGKSA-N 2 0 238.379 1.035 20 30 BDEDRP C#CCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686622 970920243 /nfs/dbraw/zinc/92/02/43/970920243.db2.gz RFXDNLOGKDIGQH-UHFFFAOYSA-N 2 0 236.359 1.243 20 30 BDEDRP C=CCSCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405294618 971233476 /nfs/dbraw/zinc/23/34/76/971233476.db2.gz GAAXJQRSTVHKAS-MNOVXSKESA-N 2 0 226.389 1.765 20 30 BDEDRP C[Si](C)(C)C#C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001170620678 971367927 /nfs/dbraw/zinc/36/79/27/971367927.db2.gz WENPNDHJADKHEM-WDEREUQCSA-N 2 0 210.397 1.684 20 30 BDEDRP C=CCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171769629 974154665 /nfs/dbraw/zinc/15/46/65/974154665.db2.gz AZYRGOSQOJQFNY-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300574 974512947 /nfs/dbraw/zinc/51/29/47/974512947.db2.gz XDVAYZJDAOFZQZ-RYUDHWBXSA-N 2 0 231.343 1.674 20 30 BDEDRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(CC#N)c1 ZINC000309835244 971852708 /nfs/dbraw/zinc/85/27/08/971852708.db2.gz ASBQFJNJSPQLJV-JTQLQIEISA-N 2 0 218.304 1.510 20 30 BDEDRP N#CCc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1F ZINC001170898482 972053394 /nfs/dbraw/zinc/05/33/94/972053394.db2.gz CNPURCZGCGOWKI-LLVKDONJSA-N 2 0 236.294 1.327 20 30 BDEDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccccc1CS ZINC001170904254 972077406 /nfs/dbraw/zinc/07/74/06/972077406.db2.gz MNZCHPYQKCIRJD-NSHDSACASA-N 2 0 225.361 1.552 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090875 972146065 /nfs/dbraw/zinc/14/60/65/972146065.db2.gz MIYZFLXBSRMUAT-RYUDHWBXSA-N 2 0 209.337 1.800 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443954 972316112 /nfs/dbraw/zinc/31/61/12/972316112.db2.gz IVONBXKJNALUNY-FZMZJTMJSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085556 972361013 /nfs/dbraw/zinc/36/10/13/972361013.db2.gz CBDIEFATZUVWTB-UHFFFAOYSA-N 2 0 237.391 1.370 20 30 BDEDRP C#CCCC1(CC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)N=N1 ZINC001246511152 972369117 /nfs/dbraw/zinc/36/91/17/972369117.db2.gz AEZRTMVMFVDFQL-NWDGAFQWSA-N 2 0 234.347 1.682 20 30 BDEDRP C[Si](C)(C)C#CNC(=[NH2+])SCC[NH3+] ZINC001167914358 961177878 /nfs/dbraw/zinc/17/78/78/961177878.db2.gz LBUHSBBREMHNFV-UHFFFAOYSA-N 2 0 215.398 1.041 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CNc1cccc(N)[nH+]1 ZINC001160953216 964454815 /nfs/dbraw/zinc/45/48/15/964454815.db2.gz XEHVXZSCEMHPLT-NSHDSACASA-N 2 0 232.331 1.726 20 30 BDEDRP N#CCc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc[nH+]1 ZINC001162988296 965220216 /nfs/dbraw/zinc/22/02/16/965220216.db2.gz UUUFWURIFFYBSC-UONOGXRCSA-N 2 0 242.326 1.266 20 30 BDEDRP C=CCCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781267 966160334 /nfs/dbraw/zinc/16/03/34/966160334.db2.gz NKNUVWATXNSAHX-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001207486236 968798679 /nfs/dbraw/zinc/79/86/79/968798679.db2.gz DTFQNWKAGFJBKD-ZDUSSCGKSA-N 2 0 221.348 1.564 20 30 BDEDRP C[NH+]1CCC(CC[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001207488060 968802502 /nfs/dbraw/zinc/80/25/02/968802502.db2.gz DSFZOSLIWWHXJJ-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252586360 968839470 /nfs/dbraw/zinc/83/94/70/968839470.db2.gz ZOSREIDEFLVDCC-JXQTWKCFSA-N 2 0 240.391 1.633 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252585181 968840182 /nfs/dbraw/zinc/84/01/82/968840182.db2.gz LFDHIDKMPORDFD-XQQFMLRXSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252613998 968869355 /nfs/dbraw/zinc/86/93/55/968869355.db2.gz FATQMFKCWVBBLY-KBPBESRZSA-N 2 0 240.391 1.635 20 30 BDEDRP C#CCCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253410187 969162268 /nfs/dbraw/zinc/16/22/68/969162268.db2.gz COCNOJVXCMGHKQ-LBPRGKRZSA-N 2 0 226.364 1.129 20 30 BDEDRP C=CCCC[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001209162782 969364155 /nfs/dbraw/zinc/36/41/55/969364155.db2.gz MXJRJKXUJXCCEF-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209163763 969366883 /nfs/dbraw/zinc/36/68/83/969366883.db2.gz KTKMSRUAOQTTMN-OLZOCXBDSA-N 2 0 208.349 1.979 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC#N)C2 ZINC001169097874 969389167 /nfs/dbraw/zinc/38/91/67/969389167.db2.gz DGFBHQDPTFTJJZ-XYYAHUGASA-N 2 0 221.348 1.895 20 30 BDEDRP C=CCN1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001169256018 969544418 /nfs/dbraw/zinc/54/44/18/969544418.db2.gz XUHCJEVKRWEUIA-UHFFFAOYSA-N 2 0 237.391 1.274 20 30 BDEDRP C#C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526619 969716759 /nfs/dbraw/zinc/71/67/59/969716759.db2.gz RYABGCDAYLVLON-UONOGXRCSA-N 2 0 220.360 1.816 20 30 BDEDRP CC[N@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254676848 969785623 /nfs/dbraw/zinc/78/56/23/969785623.db2.gz OJTNEVQKVBGESK-OLZOCXBDSA-N 2 0 223.364 1.952 20 30 BDEDRP CC[C@H](CC#N)N(CCC[NH3+])CCC[NH+](C)C ZINC001255157878 969965071 /nfs/dbraw/zinc/96/50/71/969965071.db2.gz YDPPQDSVSXKJDH-CYBMUJFWSA-N 2 0 240.395 1.281 20 30 BDEDRP CC[C@H](CC#N)NC(=[NH2+])NCC[NH+](CC)CC ZINC001255163405 969974331 /nfs/dbraw/zinc/97/43/31/969974331.db2.gz GEYBJEGIKGPFHQ-LLVKDONJSA-N 2 0 239.367 1.134 20 30 BDEDRP C=C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668852 970447521 /nfs/dbraw/zinc/44/75/21/970447521.db2.gz OCIWZGARDQYHGQ-WODVXLOZSA-N 2 0 224.348 1.138 20 30 BDEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1cc[nH+]c(N)c1 ZINC001226657900 975005459 /nfs/dbraw/zinc/00/54/59/975005459.db2.gz SZPMKKDMCAFRMW-LLVKDONJSA-N 2 0 235.311 1.031 20 30 BDEDRP N#CCC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001173327471 975276645 /nfs/dbraw/zinc/27/66/45/975276645.db2.gz CMLBRCZQZODNRU-UHFFFAOYSA-N 2 0 225.336 1.024 20 30 BDEDRP COCCN(CCC#N)CC1CC[NH+](C)CC1 ZINC000691576359 977226235 /nfs/dbraw/zinc/22/62/35/977226235.db2.gz IGSLKAGSITVION-UHFFFAOYSA-N 2 0 239.363 1.190 20 30 BDEDRP C=CC[NH2+]CCN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170980 978987634 /nfs/dbraw/zinc/98/76/34/978987634.db2.gz IEMDQXRJJZXHKK-AWEZNQCLSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CC[NH2+]CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235882092 979177225 /nfs/dbraw/zinc/17/72/25/979177225.db2.gz JPHJPKZEQMCDLL-CQSZACIVSA-N 2 0 237.391 1.226 20 30 BDEDRP C=CC[NH2+]CCN(CCC)C[C@H]1CC[NH2+]C1 ZINC001236831311 979744323 /nfs/dbraw/zinc/74/43/23/979744323.db2.gz PXKNGBXFWIDCPW-ZDUSSCGKSA-N 2 0 225.380 1.084 20 30 BDEDRP C=CC[NH2+]CCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019724 979804206 /nfs/dbraw/zinc/80/42/06/979804206.db2.gz LGUQARZYXWDCEF-HNNXBMFYSA-N 2 0 245.370 1.148 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237217537 979849150 /nfs/dbraw/zinc/84/91/50/979849150.db2.gz ATRMJELDACLYSL-ZDUSSCGKSA-N 2 0 221.348 1.104 20 30 BDEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC001345793351 980688293 /nfs/dbraw/zinc/68/82/93/980688293.db2.gz VBZATLTZXKPQJY-LBPRGKRZSA-N 2 0 246.314 1.105 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252573532 983829452 /nfs/dbraw/zinc/82/94/52/983829452.db2.gz FTOYLRBHPKIIAP-CQSZACIVSA-N 2 0 240.391 1.633 20 30 BDEDRP COCC[C@@H]([NH3+])C[NH2+]CC(C)(C)CCC#N ZINC001579001408 984249146 /nfs/dbraw/zinc/24/91/46/984249146.db2.gz IQMGAAWEWZNHTB-LLVKDONJSA-N 2 0 227.352 1.270 20 30 BDEDRP C[C@H](C#N)OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000685997264 985030943 /nfs/dbraw/zinc/03/09/43/985030943.db2.gz CGTVRNQKAHAJRE-OLZOCXBDSA-N 2 0 239.363 1.189 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001253597940 986221493 /nfs/dbraw/zinc/22/14/93/986221493.db2.gz LGFFEKWEYBVUII-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001253598393 986228015 /nfs/dbraw/zinc/22/80/15/986228015.db2.gz SHXPICQIRUMZTA-MJBXVCDLSA-N 2 0 240.391 1.491 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040615 986450224 /nfs/dbraw/zinc/45/02/24/986450224.db2.gz LTLBNNIUYNLYFA-NDBYEHHHSA-N 2 0 219.332 1.220 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001462671780 986508773 /nfs/dbraw/zinc/50/87/73/986508773.db2.gz SFOOHNDEIIZNBV-YIYPIFLZSA-N 2 0 235.375 1.856 20 30 BDEDRP N#Cc1ccc(C[NH2+]C2CC3(C[NH2+]C3)C2)s1 ZINC001580065448 986509333 /nfs/dbraw/zinc/50/93/33/986509333.db2.gz IACWFPTYGQYYJV-UHFFFAOYSA-N 2 0 233.340 1.461 20 30 BDEDRP C=C[C@@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246030919 987329571 /nfs/dbraw/zinc/32/95/71/987329571.db2.gz FSPCFWUVFUYEOV-ZIAGYGMSSA-N 2 0 238.375 1.387 20 30 BDEDRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001246116784 987459060 /nfs/dbraw/zinc/45/90/60/987459060.db2.gz WWOQSYBYQPSEFG-RJZJGCCBSA-N 2 0 235.375 1.904 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246205291 987602105 /nfs/dbraw/zinc/60/21/05/987602105.db2.gz LIEKZXQVSVGKLW-FVCCEPFGSA-N 2 0 221.348 1.799 20 30 BDEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246262142 987656912 /nfs/dbraw/zinc/65/69/12/987656912.db2.gz AFEWDURHAHWNPN-SWLSCSKDSA-N 2 0 228.339 1.898 20 30 BDEDRP N#Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC001246309746 987708720 /nfs/dbraw/zinc/70/87/20/987708720.db2.gz WWXJNTYXXNQOSP-OAHLLOKOSA-N 2 0 241.338 1.887 20 30 BDEDRP N#Cc1cccc(OCC[NH2+]C2CC[NH2+]CC2)c1 ZINC001246325826 987731380 /nfs/dbraw/zinc/73/13/80/987731380.db2.gz JTMTXPLAAQHLNX-UHFFFAOYSA-N 2 0 245.326 1.279 20 30 BDEDRP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246553996 987957778 /nfs/dbraw/zinc/95/77/78/987957778.db2.gz AOKYNAWMJVCJCH-AAVRWANBSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564153 988004210 /nfs/dbraw/zinc/00/42/10/988004210.db2.gz WBWHLAIZEPGEMH-CHWSQXEVSA-N 2 0 239.363 1.244 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564155 988009405 /nfs/dbraw/zinc/00/94/05/988009405.db2.gz WBWHLAIZEPGEMH-QWHCGFSZSA-N 2 0 239.363 1.244 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565618 988014484 /nfs/dbraw/zinc/01/44/84/988014484.db2.gz ZCYCLBRYZZFRFV-QWHCGFSZSA-N 2 0 226.364 1.517 20 30 BDEDRP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246576480 988082709 /nfs/dbraw/zinc/08/27/09/988082709.db2.gz GMWGAQMFZOIAKK-HZSPNIEDSA-N 2 0 242.407 1.987 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC001122067422 990218801 /nfs/dbraw/zinc/21/88/01/990218801.db2.gz FKYNBDUSAUNESW-GFCCVEGCSA-N 2 0 243.395 1.481 20 30 BDEDRP C#CCC1([NH2+]CCC2CC[NH2+]CC2)CCC1 ZINC001574544301 992875087 /nfs/dbraw/zinc/87/50/87/992875087.db2.gz AOUFYKJNLDGEDM-UHFFFAOYSA-N 2 0 220.360 1.912 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001575941012 993124390 /nfs/dbraw/zinc/12/43/90/993124390.db2.gz GPWANPFSJXIDGX-WDEREUQCSA-N 2 0 207.321 1.268 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575940986 993133357 /nfs/dbraw/zinc/13/33/57/993133357.db2.gz GFDARABJAOMGHU-SDDRHHMPSA-N 2 0 209.337 1.643 20 30 BDEDRP CC1(C)[C@H]([NH2+]CCCC#N)[C@@H]2CCC[NH2+][C@H]21 ZINC001576380368 993286072 /nfs/dbraw/zinc/28/60/72/993286072.db2.gz PEENDCLRBNDGOF-QJPTWQEYSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001576807804 993429154 /nfs/dbraw/zinc/42/91/54/993429154.db2.gz VSCNKQGCWFPJAM-YPMHNXCESA-N 2 0 244.342 1.370 20 30 BDEDRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000390475628 993791816 /nfs/dbraw/zinc/79/18/16/993791816.db2.gz KOACOTRDBIQDTC-VXGBXAGGSA-N 2 0 223.364 1.856 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000649353849 398165782 /nfs/dbraw/zinc/16/57/82/398165782.db2.gz XHTDQAIWBGAJMJ-IHRRRGAJSA-N 2 0 238.375 1.340 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C ZINC000336731339 136218385 /nfs/dbraw/zinc/21/83/85/136218385.db2.gz FFGWMNFMJTXGCY-YVECIDJPSA-N 2 0 221.348 1.751 20 30 BDEDRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602534726 349602464 /nfs/dbraw/zinc/60/24/64/349602464.db2.gz QCRPRKJEJFMRDT-HIFPTAJRSA-N 2 0 223.364 1.999 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000602582137 349609963 /nfs/dbraw/zinc/60/99/63/349609963.db2.gz OFAJOWRLJHDRTH-LBPRGKRZSA-N 2 0 221.348 1.778 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000381439954 539000668 /nfs/dbraw/zinc/00/06/68/539000668.db2.gz DTQRUWRAPFUQLQ-AAEUAGOBSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000168600426 343210583 /nfs/dbraw/zinc/21/05/83/343210583.db2.gz CRKCFUCQRRVOMV-VXGBXAGGSA-N 2 0 212.337 1.439 20 30 BDEDRP N#Cc1cccc(C2CCN(CC[NH3+])CC2)c1 ZINC000616619838 343523180 /nfs/dbraw/zinc/52/31/80/343523180.db2.gz ROUXGHRCQGOTEG-UHFFFAOYSA-N 2 0 229.327 1.696 20 30 BDEDRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000600727931 344364294 /nfs/dbraw/zinc/36/42/94/344364294.db2.gz NQMDEVPHNCXXEK-UHFFFAOYSA-N 2 0 247.342 1.226 20 30 BDEDRP C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376647 344852270 /nfs/dbraw/zinc/85/22/70/344852270.db2.gz YQHNLSOJJRTIIG-AGIUHOORSA-N 2 0 234.347 1.502 20 30 BDEDRP CNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000081795448 345492718 /nfs/dbraw/zinc/49/27/18/345492718.db2.gz REUJBSNRXGLGRK-LBPRGKRZSA-N 2 0 248.374 1.431 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309599684 347114116 /nfs/dbraw/zinc/11/41/16/347114116.db2.gz XIGSACDMVPFRPK-GFCCVEGCSA-N 2 0 226.364 1.387 20 30 BDEDRP C[C@@H]1CCN(Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000592495883 347788291 /nfs/dbraw/zinc/78/82/91/347788291.db2.gz UXSJIARWVRSZSE-BXUZGUMPSA-N 2 0 244.342 1.370 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470675 347789450 /nfs/dbraw/zinc/78/94/50/347789450.db2.gz COZBYNNLIYVIHW-QJPTWQEYSA-N 2 0 207.321 1.268 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491368 362915841 /nfs/dbraw/zinc/91/58/41/362915841.db2.gz RCFAYNYCZPZODY-NEPJUHHUSA-N 2 0 226.364 1.386 20 30 BDEDRP C[NH2+][C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595894238 348390879 /nfs/dbraw/zinc/39/08/79/348390879.db2.gz SNAGXQWZXHBXQU-OAHLLOKOSA-N 2 0 243.354 1.785 20 30 BDEDRP C[N@H+](CCc1ccc(C#N)cc1)C1CC([NH3+])C1 ZINC000595895627 348391672 /nfs/dbraw/zinc/39/16/72/348391672.db2.gz QVXUKEJRSHYWDY-UHFFFAOYSA-N 2 0 229.327 1.522 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000596649894 348604996 /nfs/dbraw/zinc/60/49/96/348604996.db2.gz HDGXWORDMHEPHF-HUUCEWRRSA-N 2 0 243.354 1.960 20 30 BDEDRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336654283 191123988 /nfs/dbraw/zinc/12/39/88/191123988.db2.gz GNZJEQPRVOCEPG-FRRDWIJNSA-N 2 0 223.364 1.997 20 30 BDEDRP C[C@@H](C#N)CN(C)C/C=C\CN(C)C[C@H](C)C#N ZINC000340152672 351949924 /nfs/dbraw/zinc/94/99/24/351949924.db2.gz OCWHUVGUIZYQGE-YOQOKRQFSA-N 2 0 248.374 1.726 20 30 BDEDRP C=CC[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344157734 354157637 /nfs/dbraw/zinc/15/76/37/354157637.db2.gz WLDJRQYQDWVPGI-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP C=CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378564 192233008 /nfs/dbraw/zinc/23/30/08/192233008.db2.gz MDZVBPWPZXODQO-UONOGXRCSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(Cl)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000167716839 134153790 /nfs/dbraw/zinc/15/37/90/134153790.db2.gz WEFWXJAZUQRYAX-ZJUUUORDSA-N 2 0 202.729 1.846 20 30 BDEDRP C[NH+]=C(NC1CC1)NC1CC[NH+](C(C)C)CC1 ZINC000114089117 134161691 /nfs/dbraw/zinc/16/16/91/134161691.db2.gz PBWCBYMRFNAHHK-UHFFFAOYSA-N 2 0 238.379 1.187 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090450859 360073387 /nfs/dbraw/zinc/07/33/87/360073387.db2.gz MKVMGIKYMDQYPD-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387974 361040060 /nfs/dbraw/zinc/04/00/60/361040060.db2.gz OOIPRKAYKRHVFP-LLVKDONJSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CCCC[N@@H+](C)CCOCC[NH2+]C ZINC000629569047 361460740 /nfs/dbraw/zinc/46/07/40/361460740.db2.gz NVPAAQIFYXQMMJ-UHFFFAOYSA-N 2 0 200.326 1.120 20 30 BDEDRP C=CC[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000629650122 361546579 /nfs/dbraw/zinc/54/65/79/361546579.db2.gz OKHNSIHAKJQJBZ-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP N#CCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161356226 368137422 /nfs/dbraw/zinc/13/74/22/368137422.db2.gz LHAJIRKBXFPLIE-UHFFFAOYSA-N 2 0 244.342 1.897 20 30 BDEDRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600710526 369560946 /nfs/dbraw/zinc/56/09/46/369560946.db2.gz OCPLYQDYKUHXHA-LBPRGKRZSA-N 2 0 247.342 1.574 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000600770199 369564603 /nfs/dbraw/zinc/56/46/03/369564603.db2.gz WMFGLMJPVVRXQH-NXEZZACHSA-N 2 0 219.288 1.368 20 30 BDEDRP CC[NH+]1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602498373 369796122 /nfs/dbraw/zinc/79/61/22/369796122.db2.gz JKUAXRXMZJFJSE-UHFFFAOYSA-N 2 0 244.342 1.527 20 30 BDEDRP C#CCC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274820833 533055208 /nfs/dbraw/zinc/05/52/08/533055208.db2.gz PJYURAVQYSBYRR-UHFFFAOYSA-N 2 0 229.327 1.535 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000247647067 385361275 /nfs/dbraw/zinc/36/12/75/385361275.db2.gz WFGZFNKEIFGANT-RDBSUJKOSA-N 2 0 240.391 1.728 20 30 BDEDRP C[C@H](CCC#N)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000591016775 385548662 /nfs/dbraw/zinc/54/86/62/385548662.db2.gz XRXPZJOUAVZFKW-CYBMUJFWSA-N 2 0 244.342 1.896 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414973708 385995839 /nfs/dbraw/zinc/99/58/39/385995839.db2.gz LKYBZBKIFQAMKT-CYBMUJFWSA-N 2 0 240.391 1.947 20 30 BDEDRP C#CCN(CC#CC[N@H+](CC#C)C1CC1)C1CC1 ZINC000284155013 386443700 /nfs/dbraw/zinc/44/37/00/386443700.db2.gz PRHLHFGOUMZQPQ-UHFFFAOYSA-N 2 0 240.350 1.185 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187123 386851068 /nfs/dbraw/zinc/85/10/68/386851068.db2.gz XVKBGQKZFIJPNI-ZIAGYGMSSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423519619 387352868 /nfs/dbraw/zinc/35/28/68/387352868.db2.gz PLQFJRIVHWDUBE-OLZOCXBDSA-N 2 0 226.364 1.699 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396853421 387503407 /nfs/dbraw/zinc/50/34/07/387503407.db2.gz NQPLQUBSIZSPQF-GFCCVEGCSA-N 2 0 224.348 1.099 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396853422 387504152 /nfs/dbraw/zinc/50/41/52/387504152.db2.gz NQPLQUBSIZSPQF-LBPRGKRZSA-N 2 0 224.348 1.099 20 30 BDEDRP C#CC[NH+](C)Cc1ccccc1C[N@H+](C)CC#C ZINC000276906411 387525517 /nfs/dbraw/zinc/52/55/17/387525517.db2.gz FAVDCYQRVPLGKN-UHFFFAOYSA-N 2 0 240.350 1.817 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983487 387794014 /nfs/dbraw/zinc/79/40/14/387794014.db2.gz ZRPVBJJKPPROGP-OLZOCXBDSA-N 2 0 239.407 1.742 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423014121 387836720 /nfs/dbraw/zinc/83/67/20/387836720.db2.gz OKXZRYGWIYZXGF-STQMWFEESA-N 2 0 226.364 1.557 20 30 BDEDRP C=CCOCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000643479535 387850568 /nfs/dbraw/zinc/85/05/68/387850568.db2.gz NLFLXKBLZARQKH-NSHDSACASA-N 2 0 249.358 1.702 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423098549 387887413 /nfs/dbraw/zinc/88/74/13/387887413.db2.gz SEFGVMLXGPXLJM-RVMXOQNASA-N 2 0 226.364 1.683 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423151356 387930121 /nfs/dbraw/zinc/93/01/21/387930121.db2.gz JYLDQMCCSJOGSC-YFKTTZPYSA-N 2 0 212.337 1.435 20 30 BDEDRP C=CCCC[NH2+][C@@H](CCC[NH3+])COC ZINC000336698737 134905835 /nfs/dbraw/zinc/90/58/35/134905835.db2.gz VQRYYSOGUCZJSC-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423152071 387928981 /nfs/dbraw/zinc/92/89/81/387928981.db2.gz FJEZTMBCVYVSLC-HBNTYKKESA-N 2 0 200.326 1.029 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423170192 387955113 /nfs/dbraw/zinc/95/51/13/387955113.db2.gz LGCICEKXDOQEBX-GHMZBOCLSA-N 2 0 209.337 1.643 20 30 BDEDRP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCC[NH2+]1 ZINC000423164544 387948858 /nfs/dbraw/zinc/94/88/58/387948858.db2.gz WVUWWQFDUYZRKJ-ZDEQEGDKSA-N 2 0 221.348 1.799 20 30 BDEDRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424367144 387992421 /nfs/dbraw/zinc/99/24/21/387992421.db2.gz KPEDDWRYXFZKTK-QJPTWQEYSA-N 2 0 209.337 1.642 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423299272 388690927 /nfs/dbraw/zinc/69/09/27/388690927.db2.gz BOHAJRYJVAPWSR-GHMZBOCLSA-N 2 0 217.316 1.804 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C#N)c(F)c1 ZINC000423306815 388691181 /nfs/dbraw/zinc/69/11/81/388691181.db2.gz MAMFRXAXHZDIMZ-VHSXEESVSA-N 2 0 235.306 1.943 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(C#N)c1 ZINC000423299275 388691316 /nfs/dbraw/zinc/69/13/16/388691316.db2.gz BOHAJRYJVAPWSR-WDEREUQCSA-N 2 0 217.316 1.804 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423313678 388691764 /nfs/dbraw/zinc/69/17/64/388691764.db2.gz XFASFGQWHBGKEE-NXEZZACHSA-N 2 0 235.306 1.943 20 30 BDEDRP C#CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371185209 134227508 /nfs/dbraw/zinc/22/75/08/134227508.db2.gz QTVSERKVRDLAGI-MGPQQGTHSA-N 2 0 236.359 1.193 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000305082835 134239570 /nfs/dbraw/zinc/23/95/70/134239570.db2.gz MXJGEXBPJLYTAP-ZIAGYGMSSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378245985 134245558 /nfs/dbraw/zinc/24/55/58/134245558.db2.gz FDZVZKJVDVUTGX-HZSPNIEDSA-N 2 0 238.375 1.746 20 30 BDEDRP C=CCOCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337283690 135011039 /nfs/dbraw/zinc/01/10/39/135011039.db2.gz YEFLMWAZUIIUJT-UHFFFAOYSA-N 2 0 240.391 1.997 20 30 BDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587042 135228367 /nfs/dbraw/zinc/22/83/67/135228367.db2.gz UTZUUDUAOVKXTP-RRFJBIMHSA-N 2 0 241.338 1.727 20 30 BDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262004397 135271778 /nfs/dbraw/zinc/27/17/78/135271778.db2.gz QWYKTANTMBDMML-GFCCVEGCSA-N 2 0 238.379 1.033 20 30 BDEDRP CN(C)C(=[NH+]CC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000263145380 135335438 /nfs/dbraw/zinc/33/54/38/135335438.db2.gz OTULLSMKKNRGCS-GFCCVEGCSA-N 2 0 240.395 1.198 20 30 BDEDRP C[N@H+]1CC=C(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000263166194 135336501 /nfs/dbraw/zinc/33/65/01/135336501.db2.gz QDUURDARWWUXTO-UHFFFAOYSA-N 2 0 236.363 1.095 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000643479647 398106786 /nfs/dbraw/zinc/10/67/86/398106786.db2.gz XWSZGNWPPGBKAN-VXGBXAGGSA-N 2 0 212.337 1.167 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422940548 411235389 /nfs/dbraw/zinc/23/53/89/411235389.db2.gz GZFBFYQLCZGASL-NXEZZACHSA-N 2 0 200.351 1.375 20 30 BDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000037643898 170007745 /nfs/dbraw/zinc/00/77/45/170007745.db2.gz MYZCOVOGOMSUDL-HNNXBMFYSA-N 2 0 243.354 1.990 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658697 411614134 /nfs/dbraw/zinc/61/41/34/411614134.db2.gz GGPIZDNZZYHVGG-ZIAGYGMSSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000661380174 411762120 /nfs/dbraw/zinc/76/21/20/411762120.db2.gz BSHIWLWFFATOPY-UONOGXRCSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCCC1 ZINC000661851478 411903151 /nfs/dbraw/zinc/90/31/51/411903151.db2.gz VPFSRFDDEXAGKX-ZDUSSCGKSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662147851 412009000 /nfs/dbraw/zinc/00/90/00/412009000.db2.gz HDWGWQCHZVTUDU-ZDUSSCGKSA-N 2 0 224.348 1.094 20 30 BDEDRP C=CCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662159003 412013032 /nfs/dbraw/zinc/01/30/32/412013032.db2.gz WHJSDYCAYOFXPI-AWEZNQCLSA-N 2 0 238.375 1.484 20 30 BDEDRP C=CC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000662299563 412086608 /nfs/dbraw/zinc/08/66/08/412086608.db2.gz ROMXOZKCXFVQHW-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000665263213 412205056 /nfs/dbraw/zinc/20/50/56/412205056.db2.gz IMIOYECZWBDUNS-STQMWFEESA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCOCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000303550935 490168054 /nfs/dbraw/zinc/16/80/54/490168054.db2.gz NMBFELJMTGOUCG-LBPRGKRZSA-N 2 0 226.364 1.509 20 30 BDEDRP CC(C)CNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000263146357 535065248 /nfs/dbraw/zinc/06/52/48/535065248.db2.gz OXEVRQXEAIPGIP-UHFFFAOYSA-N 2 0 245.330 1.395 20 30 BDEDRP CC[NH+](CC#CC[N@@H+](CC)C1CC1)C1CC1 ZINC000341846237 535766699 /nfs/dbraw/zinc/76/66/99/535766699.db2.gz GKYIAPRONLEMDO-UHFFFAOYSA-N 2 0 220.360 1.958 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000852743893 583016360 /nfs/dbraw/zinc/01/63/60/583016360.db2.gz NFSHRFNCWGPPFP-OAHLLOKOSA-N 2 0 243.354 1.771 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902364064 584573435 /nfs/dbraw/zinc/57/34/35/584573435.db2.gz YRVLIFJLXOXVLN-CYBMUJFWSA-N 2 0 240.391 1.947 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401981 584587331 /nfs/dbraw/zinc/58/73/31/584587331.db2.gz GWTDOOFPQZWGHO-OLZOCXBDSA-N 2 0 240.391 1.681 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902470254 584616558 /nfs/dbraw/zinc/61/65/58/584616558.db2.gz VLHSLGSSKGOIHR-XLICRZQSSA-N 2 0 233.359 1.941 20 30 BDEDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903447434 584770795 /nfs/dbraw/zinc/77/07/95/584770795.db2.gz RZBMMXSNERRWEF-RYSNWHEDSA-N 2 0 235.375 1.985 20 30 BDEDRP C=CCCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815718 584800828 /nfs/dbraw/zinc/80/08/28/584800828.db2.gz QQEGLQCNTCSAJO-UHFFFAOYSA-N 2 0 238.375 1.797 20 30 BDEDRP NC(=[NH2+])N=NC1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000748778392 585195881 /nfs/dbraw/zinc/19/58/81/585195881.db2.gz JCRFLTXMVBBHEQ-NSHDSACASA-N 2 0 237.351 1.254 20 30 BDEDRP C[NH+](C)CCCCCCCNC1=[NH+]CCCN1 ZINC000750544666 585217224 /nfs/dbraw/zinc/21/72/24/585217224.db2.gz QBTXLBBSTLIEFE-UHFFFAOYSA-N 2 0 240.395 1.437 20 30 BDEDRP C#CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000760842305 585399240 /nfs/dbraw/zinc/39/92/40/585399240.db2.gz GEZSKXZGAOPGCC-QWHCGFSZSA-N 2 0 208.349 1.814 20 30 BDEDRP C[C@H](C#N)OCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000801933974 586278491 /nfs/dbraw/zinc/27/84/91/586278491.db2.gz XCZQRGWCZNEUKW-NEPJUHHUSA-N 2 0 248.330 1.518 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817953672 586849232 /nfs/dbraw/zinc/84/92/32/586849232.db2.gz SHVUHZKBMFMTBQ-RYUDHWBXSA-N 2 0 247.342 1.977 20 30 BDEDRP C#C[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000847021732 588302532 /nfs/dbraw/zinc/30/25/32/588302532.db2.gz OGNLROKGDJHGSM-LBPRGKRZSA-N 2 0 203.289 1.228 20 30 BDEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCCCCC2)N1 ZINC000848981516 588423584 /nfs/dbraw/zinc/42/35/84/588423584.db2.gz KRSWMDXVYIZSIE-LBPRGKRZSA-N 2 0 238.379 1.190 20 30 BDEDRP C[NH+]=C(NC[C@H](C)C[NH+]1CCCC1)NC1CC1 ZINC000848994652 588428694 /nfs/dbraw/zinc/42/86/94/588428694.db2.gz SZQFEEKDHFEHNQ-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000848995486 588428848 /nfs/dbraw/zinc/42/88/48/588428848.db2.gz LYPCLROPZBQSRA-GFCCVEGCSA-N 2 0 240.395 1.340 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848997502 588429705 /nfs/dbraw/zinc/42/97/05/588429705.db2.gz MONIWLIRDXEPLY-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)CCCC ZINC000849005785 588432707 /nfs/dbraw/zinc/43/27/07/588432707.db2.gz QVQJHTSHQWYKDH-UHFFFAOYSA-N 2 0 226.368 1.408 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1CNC(NCC)=[NH+]CC ZINC000849027897 588441391 /nfs/dbraw/zinc/44/13/91/588441391.db2.gz PKSHSSZOURGAHY-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852104813 588663820 /nfs/dbraw/zinc/66/38/20/588663820.db2.gz GAWWGMVZUHBQCG-CQSZACIVSA-N 2 0 220.360 1.818 20 30 BDEDRP N#Cc1ccc(CCN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000852750298 588700248 /nfs/dbraw/zinc/70/02/48/588700248.db2.gz ZEMFKRZQTBMTLE-CABCVRRESA-N 2 0 241.338 1.394 20 30 BDEDRP C#CCSCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000130013588 591429533 /nfs/dbraw/zinc/42/95/33/591429533.db2.gz UFWUJPPJPVOIMH-LBPRGKRZSA-N 2 0 240.416 1.673 20 30 BDEDRP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000886365294 592217376 /nfs/dbraw/zinc/21/73/76/592217376.db2.gz FMPKPWMWTVYCGU-KGLIPLIRSA-N 2 0 238.375 1.033 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000104168229 592602467 /nfs/dbraw/zinc/60/24/67/592602467.db2.gz DQGJTPGWIAYCBC-NSHDSACASA-N 2 0 226.368 1.033 20 30 BDEDRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1)[NH2+]2 ZINC000925702774 634377880 /nfs/dbraw/zinc/37/78/80/634377880.db2.gz DLAULJDVDXZAQB-WZBKEBKWSA-N 2 0 233.359 1.797 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000104168123 634529901 /nfs/dbraw/zinc/52/99/01/634529901.db2.gz XWLKYONSTQZKJP-NSHDSACASA-N 2 0 226.368 1.175 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCCCC1 ZINC000083052970 631417118 /nfs/dbraw/zinc/41/71/18/631417118.db2.gz LYBZXPLXHJUGKK-UHFFFAOYSA-N 2 0 240.395 1.519 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000178055199 632935319 /nfs/dbraw/zinc/93/53/19/632935319.db2.gz LMDYZYMCBOPNDU-CHWSQXEVSA-N 2 0 208.349 1.720 20 30 BDEDRP C#CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309585310 633208106 /nfs/dbraw/zinc/20/81/06/633208106.db2.gz VCVRCHOSDKAJTI-UHFFFAOYSA-N 2 0 220.360 1.864 20 30 BDEDRP C=CC[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893560268 635159838 /nfs/dbraw/zinc/15/98/38/635159838.db2.gz YSYVUARGFPQFSU-UHFFFAOYSA-N 2 0 208.349 1.979 20 30 BDEDRP N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925815098 635381987 /nfs/dbraw/zinc/38/19/87/635381987.db2.gz SZBKBYCCTRBPLP-FZMZJTMJSA-N 2 0 247.317 1.914 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892964 635618028 /nfs/dbraw/zinc/61/80/28/635618028.db2.gz IOBACZFGXWZINX-MNOVXSKESA-N 2 0 247.346 1.081 20 30 BDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)[NH+](C)C)C1 ZINC000303779348 636313681 /nfs/dbraw/zinc/31/36/81/636313681.db2.gz KJTKYWNPTVFZPE-LLVKDONJSA-N 2 0 240.395 1.373 20 30 BDEDRP N#CC1CCC(C[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000903463572 637364345 /nfs/dbraw/zinc/36/43/45/637364345.db2.gz FHPUCINNFZLHRT-UHFFFAOYSA-N 2 0 233.359 1.739 20 30 BDEDRP C[C@@H]([NH2+]CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000129185129 638704135 /nfs/dbraw/zinc/70/41/35/638704135.db2.gz CWUBKTZICMUOPA-LLVKDONJSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911818833 639836612 /nfs/dbraw/zinc/83/66/12/639836612.db2.gz LWLJCCAYQJOCQK-NEPJUHHUSA-N 2 0 241.379 1.160 20 30 BDEDRP CC[C@@H](CC#N)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518178 640399922 /nfs/dbraw/zinc/39/99/22/640399922.db2.gz HHVUWHIBYOTHNG-LBPRGKRZSA-N 2 0 209.337 1.610 20 30 BDEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N(C)C ZINC000170903770 640935813 /nfs/dbraw/zinc/93/58/13/640935813.db2.gz YIABCQPWZTYINT-LBPRGKRZSA-N 2 0 240.395 1.517 20 30 BDEDRP C=C(Cl)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166068 641141364 /nfs/dbraw/zinc/14/13/64/641141364.db2.gz USKZGUNOTCMQHB-UHFFFAOYSA-N 2 0 202.729 1.670 20 30 BDEDRP CCCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305842629 642709872 /nfs/dbraw/zinc/70/98/72/642709872.db2.gz ZYHZWLXZYLVLNU-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C#CCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181305247 642861017 /nfs/dbraw/zinc/86/10/17/642861017.db2.gz YBHPAMSOFYONND-OLZOCXBDSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284484 644309680 /nfs/dbraw/zinc/30/96/80/644309680.db2.gz NSGAFCSHHWKZNV-WCQYABFASA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000923280818 644313763 /nfs/dbraw/zinc/31/37/63/644313763.db2.gz JOFLOJAXOLLJKV-AGIUHOORSA-N 2 0 226.364 1.515 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281573 644314841 /nfs/dbraw/zinc/31/48/41/644314841.db2.gz NDWJPPOZOZWRPH-CQSZACIVSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923376545 644390765 /nfs/dbraw/zinc/39/07/65/644390765.db2.gz YRFCJQCAPANVOE-AVGNSLFASA-N 2 0 226.364 1.230 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397747 644404271 /nfs/dbraw/zinc/40/42/71/644404271.db2.gz GKENZRMSHFFOQU-QWHCGFSZSA-N 2 0 236.359 1.263 20 30 BDEDRP C#CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246205711 644572919 /nfs/dbraw/zinc/57/29/19/644572919.db2.gz DXQCNYYSGKQVIR-STQMWFEESA-N 2 0 206.333 1.616 20 30 BDEDRP C#C[C@H](C)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)C#C ZINC000769963567 644682961 /nfs/dbraw/zinc/68/29/61/644682961.db2.gz WARNIEGWYSMJLH-YHFBFXLGSA-N 2 0 218.344 1.450 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303789725 644846696 /nfs/dbraw/zinc/84/66/96/644846696.db2.gz VQGZSKYDHZXTOA-LBPRGKRZSA-N 2 0 242.411 1.619 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303869620 644850416 /nfs/dbraw/zinc/85/04/16/644850416.db2.gz FAHWOKNFLKFBKG-LLVKDONJSA-N 2 0 226.368 1.031 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000303885497 644853983 /nfs/dbraw/zinc/85/39/83/644853983.db2.gz NFRHTSSORRBOHZ-LLVKDONJSA-N 2 0 226.368 1.031 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303896005 644855593 /nfs/dbraw/zinc/85/55/93/644855593.db2.gz PUFJHWQFHWXANA-LLVKDONJSA-N 2 0 238.379 1.175 20 30 BDEDRP CC[C@H](C)[N@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303978554 644862501 /nfs/dbraw/zinc/86/25/01/644862501.db2.gz MKBPHDLXWMQNBG-NSHDSACASA-N 2 0 228.384 1.196 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304753089 644928533 /nfs/dbraw/zinc/92/85/33/644928533.db2.gz KVTZPLMOYUXFRX-LBPRGKRZSA-N 2 0 240.395 1.279 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000304764629 644932426 /nfs/dbraw/zinc/93/24/26/644932426.db2.gz YGTLVTWQFYVPLP-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925681305 646409506 /nfs/dbraw/zinc/40/95/06/646409506.db2.gz NNYLCSVWFBWUGY-AVGNSLFASA-N 2 0 233.359 1.943 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000925787587 646482707 /nfs/dbraw/zinc/48/27/07/646482707.db2.gz YBESYNATTKNZNV-CQLXCSJHSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000925803586 646488640 /nfs/dbraw/zinc/48/86/40/646488640.db2.gz RQPWWGRWYBRCFO-XJFOESAGSA-N 2 0 235.375 1.904 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809999 646490727 /nfs/dbraw/zinc/49/07/27/646490727.db2.gz MMEQZYSEHWHHHY-CHWSQXEVSA-N 2 0 239.407 1.600 20 30 BDEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000702308968 712044204 /nfs/dbraw/zinc/04/42/04/712044204.db2.gz ZLKZNVQCIHPSQN-ZDUSSCGKSA-N 2 0 222.376 1.966 20 30 BDEDRP C=CC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703701266 712084213 /nfs/dbraw/zinc/08/42/13/712084213.db2.gz NTFSRYVFNFLPEO-UPJWGTAASA-N 2 0 208.349 1.740 20 30 BDEDRP C=C(Cl)CN1CCC2(CC[NH2+]2)CC1 ZINC000852752474 712612881 /nfs/dbraw/zinc/61/28/81/712612881.db2.gz ZWHFPCYWGJHTOP-UHFFFAOYSA-N 2 0 200.713 1.567 20 30 BDEDRP C=CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000715003958 712503950 /nfs/dbraw/zinc/50/39/50/712503950.db2.gz YFOSENQRYXBJAT-QJPTWQEYSA-N 2 0 212.337 1.247 20 30 BDEDRP C[NH+]1CCC(NCc2cc(C#N)ccc2F)CC1 ZINC000037253347 712558636 /nfs/dbraw/zinc/55/86/36/712558636.db2.gz NWLXDNNZJRBYKO-UHFFFAOYSA-N 2 0 247.317 1.881 20 30 BDEDRP C=CCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001209200470 969385592 /nfs/dbraw/zinc/38/55/92/969385592.db2.gz DWSYMCYQVKNGKA-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP C=C(C)C(=O)OCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254502318 969666991 /nfs/dbraw/zinc/66/69/91/969666991.db2.gz DCXCEAOVBXQFOD-GFCCVEGCSA-N 2 0 240.347 1.180 20 30 BDEDRP CC[N@@H+]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC001329225190 973578405 /nfs/dbraw/zinc/57/84/05/973578405.db2.gz GCSNWSCQQKTNNQ-LBPRGKRZSA-N 2 0 240.395 1.198 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256973097 971050148 /nfs/dbraw/zinc/05/01/48/971050148.db2.gz LJHSTSJMHCYZOW-AKJUYKBHSA-N 2 0 233.359 1.562 20 30 BDEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256971921 971050648 /nfs/dbraw/zinc/05/06/48/971050648.db2.gz OVCODLPIKHXANG-HXSCFSKGSA-N 2 0 247.386 1.952 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405446387 971258375 /nfs/dbraw/zinc/25/83/75/971258375.db2.gz WTCBKSPSBPZGRC-NEPJUHHUSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCCCCCCC[NH3+] ZINC001217831261 971424224 /nfs/dbraw/zinc/42/42/24/971424224.db2.gz FUTVXSNIZQRNBJ-CYBMUJFWSA-N 2 0 226.364 1.830 20 30 BDEDRP CCCCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001258041844 971565243 /nfs/dbraw/zinc/56/52/43/971565243.db2.gz AZMJFSLADTYBIL-RYUDHWBXSA-N 2 0 216.369 1.645 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC001218211111 971631889 /nfs/dbraw/zinc/63/18/89/971631889.db2.gz QUBMVKCTRHJFGG-ZDUSSCGKSA-N 2 0 218.300 1.442 20 30 BDEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(C[NH3+])c1 ZINC001218292656 971689525 /nfs/dbraw/zinc/68/95/25/971689525.db2.gz ZOGLZWJPDVFXGS-CQSZACIVSA-N 2 0 248.350 1.513 20 30 BDEDRP Cc1cc(CC#N)ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170901275 972050705 /nfs/dbraw/zinc/05/07/05/972050705.db2.gz YDVFEWCDHGLCFC-CYBMUJFWSA-N 2 0 232.331 1.497 20 30 BDEDRP N#Cc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1Cl ZINC001170897295 972054921 /nfs/dbraw/zinc/05/49/21/972054921.db2.gz LWTQFYHILQOJTL-QMMMGPOBSA-N 2 0 239.710 1.042 20 30 BDEDRP N#Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c(Cl)c1 ZINC001159780408 972109596 /nfs/dbraw/zinc/10/95/96/972109596.db2.gz ZXBWLQCJPJPMHJ-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH2+]CC1 ZINC001246077195 972132145 /nfs/dbraw/zinc/13/21/45/972132145.db2.gz IGXAOUFQOXGFSO-LBPRGKRZSA-N 2 0 243.354 1.831 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246090872 972146046 /nfs/dbraw/zinc/14/60/46/972146046.db2.gz MIYZFLXBSRMUAT-NEPJUHHUSA-N 2 0 209.337 1.800 20 30 BDEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000300854628 958769774 /nfs/dbraw/zinc/76/97/74/958769774.db2.gz FRLVDIGEBVAUDI-ZDUSSCGKSA-N 2 0 208.349 1.576 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237393 972416057 /nfs/dbraw/zinc/41/60/57/972416057.db2.gz HRQNYODTDFFCCJ-ZDUSSCGKSA-N 2 0 206.333 1.618 20 30 BDEDRP C[NH+](C)CCCCNc1cc[nH+]c(CC#N)c1 ZINC001161730830 964719873 /nfs/dbraw/zinc/71/98/73/964719873.db2.gz RXELGMSSFYXAAS-UHFFFAOYSA-N 2 0 232.331 1.323 20 30 BDEDRP C[NH+](C)CCCC[NH2+]C#C[Si](C)(C)C ZINC001161731096 964720463 /nfs/dbraw/zinc/72/04/63/964720463.db2.gz OOQQHFAOTGOWJG-UHFFFAOYSA-N 2 0 212.413 1.756 20 30 BDEDRP N#Cc1cccnc1NCCC[NH2+]CCCC[NH3+] ZINC001162289030 964913569 /nfs/dbraw/zinc/91/35/69/964913569.db2.gz DTFYDHYQIHLJGR-UHFFFAOYSA-N 2 0 247.346 1.084 20 30 BDEDRP N#CCC[N@@H+](CCCC[NH3+])C1CCCC1 ZINC001235663855 966096575 /nfs/dbraw/zinc/09/65/75/966096575.db2.gz MKRMIJDURWMCCO-UHFFFAOYSA-N 2 0 209.337 1.884 20 30 BDEDRP C[C@@H](CC#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715500856 966938767 /nfs/dbraw/zinc/93/87/67/966938767.db2.gz LPNJXHXBDWOCRY-UNXYVOJBSA-N 2 0 209.337 1.751 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000694587370 967888004 /nfs/dbraw/zinc/88/80/04/967888004.db2.gz FKXQLQDNIZJPDS-ZDUSSCGKSA-N 2 0 221.348 1.564 20 30 BDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[NH+](C)C ZINC000829178381 968824078 /nfs/dbraw/zinc/82/40/78/968824078.db2.gz DVHOSHICEQVHFY-NSHDSACASA-N 2 0 211.353 1.856 20 30 BDEDRP C#CC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155406 969473108 /nfs/dbraw/zinc/47/31/08/969473108.db2.gz OVXPFBNDYGKIJM-FICVDOATSA-N 2 0 232.371 1.957 20 30 BDEDRP CCC[N@H+](CCC[NH3+])[C@H]1CC[C@@H](C#N)C1 ZINC001254636365 969753399 /nfs/dbraw/zinc/75/33/99/969753399.db2.gz KSNJZDVHMURSPB-NEPJUHHUSA-N 2 0 209.337 1.739 20 30 BDEDRP CC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254647743 969762549 /nfs/dbraw/zinc/76/25/49/969762549.db2.gz VEYVAEPQPAAKEK-WDEREUQCSA-N 2 0 207.321 1.492 20 30 BDEDRP C[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001255416342 970138385 /nfs/dbraw/zinc/13/83/85/970138385.db2.gz ZPRSDTWPLPKQCN-VIFPVBQESA-N 2 0 238.722 1.144 20 30 BDEDRP C[NH+]1CCC(NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001256195367 970690899 /nfs/dbraw/zinc/69/08/99/970690899.db2.gz PKDVSGZITHGKTN-UHFFFAOYSA-N 2 0 242.326 1.358 20 30 BDEDRP C[C@H](CCCC#N)[NH+]1CCC(C[NH3+])CC1 ZINC001246541412 972565273 /nfs/dbraw/zinc/56/52/73/972565273.db2.gz YPIOVPZYCWYAEJ-LLVKDONJSA-N 2 0 209.337 1.739 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544335 972614545 /nfs/dbraw/zinc/61/45/45/972614545.db2.gz XZPICDCYTSMRSR-NEPJUHHUSA-N 2 0 209.337 1.882 20 30 BDEDRP C[C@]1([NH3+])CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001246550415 972708914 /nfs/dbraw/zinc/70/89/14/972708914.db2.gz JNENWMBHFMQUFB-AVGNSLFASA-N 2 0 221.348 1.882 20 30 BDEDRP COCCC[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC001172246878 974514217 /nfs/dbraw/zinc/51/42/17/974514217.db2.gz YJXLBEUSQHZKKI-UHFFFAOYSA-N 2 0 239.363 1.381 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172478020 974776941 /nfs/dbraw/zinc/77/69/41/974776941.db2.gz AWIGXHLARFDRAF-VXGBXAGGSA-N 2 0 209.337 1.610 20 30 BDEDRP CC1(C#N)CCC([NH2+]CCOCC[NH3+])CC1 ZINC001173586342 975435824 /nfs/dbraw/zinc/43/58/24/975435824.db2.gz PCVBYSPYEJHMFV-UHFFFAOYSA-N 2 0 225.336 1.024 20 30 BDEDRP C[NH+]1CCC(C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000691574233 977219542 /nfs/dbraw/zinc/21/95/42/977219542.db2.gz YMDSRJSQEJSRLB-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CC[NH2+]CCN1CCCC[C@]12CCC[NH2+]C2 ZINC001235170982 978987780 /nfs/dbraw/zinc/98/77/80/978987780.db2.gz IEMDQXRJJZXHKK-CQSZACIVSA-N 2 0 237.391 1.370 20 30 BDEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH3+] ZINC001235933044 979211500 /nfs/dbraw/zinc/21/15/00/979211500.db2.gz AHSMMOVTEQJOBQ-CNDDSTCGSA-N 2 0 207.321 1.492 20 30 BDEDRP CCCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995518 979285772 /nfs/dbraw/zinc/28/57/72/979285772.db2.gz YXTZQPYVXGAOOL-PBWFPOADSA-N 2 0 240.391 1.862 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001341660562 979513968 /nfs/dbraw/zinc/51/39/68/979513968.db2.gz VULHDBWWPWGITP-WOPDTQHZSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CC[NH2+]CCN(C1CCC1)C1CC[NH2+]CC1 ZINC001236632791 979684127 /nfs/dbraw/zinc/68/41/27/979684127.db2.gz AMTYBNFIXMDTAD-UHFFFAOYSA-N 2 0 237.391 1.369 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205638060 981376022 /nfs/dbraw/zinc/37/60/22/981376022.db2.gz KVNFMZUYSTVTAH-NWDGAFQWSA-N 2 0 246.358 1.693 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000691839564 983817388 /nfs/dbraw/zinc/81/73/88/983817388.db2.gz BHDWPVAKTWKHIU-RYUDHWBXSA-N 2 0 224.348 1.439 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001252619494 983855050 /nfs/dbraw/zinc/85/50/50/983855050.db2.gz MEYXGYOZAKHCLG-KBPBESRZSA-N 2 0 238.375 1.387 20 30 BDEDRP C[N@H+](CCOc1cccc(C#N)c1)C1CC([NH3+])C1 ZINC001578477079 985111058 /nfs/dbraw/zinc/11/10/58/985111058.db2.gz NOEKZSQFEGAWTK-UHFFFAOYSA-N 2 0 245.326 1.359 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H]1CC[NH3+] ZINC001579440531 985924870 /nfs/dbraw/zinc/92/48/70/985924870.db2.gz IVQCRQHBKYYNFN-VXGBXAGGSA-N 2 0 244.342 1.370 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001253597939 986219363 /nfs/dbraw/zinc/21/93/63/986219363.db2.gz LGFFEKWEYBVUII-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001253598392 986231990 /nfs/dbraw/zinc/23/19/90/986231990.db2.gz SHXPICQIRUMZTA-MCIONIFRSA-N 2 0 240.391 1.491 20 30 BDEDRP C#C[C@H]([NH2+]CC1CC[NH+](CC)CC1)C(C)C ZINC001462211173 986315015 /nfs/dbraw/zinc/31/50/15/986315015.db2.gz NCTNEBKQYWXPDO-AWEZNQCLSA-N 2 0 222.376 1.966 20 30 BDEDRP N#CC1(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CCOCC1 ZINC001580037863 986442169 /nfs/dbraw/zinc/44/21/69/986442169.db2.gz AKVGPZVYOMHPQR-NWDGAFQWSA-N 2 0 237.347 1.024 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001580065753 986460294 /nfs/dbraw/zinc/46/02/94/986460294.db2.gz RARXLGQZSQACLV-TXEJJXNPSA-N 2 0 201.273 1.138 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC3(C2)CC[NH2+]CC3)C1 ZINC001580055999 986488192 /nfs/dbraw/zinc/48/81/92/986488192.db2.gz FGDFLHXOTJBBNE-NWDGAFQWSA-N 2 0 233.359 1.800 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245973714 987242815 /nfs/dbraw/zinc/24/28/15/987242815.db2.gz KKNVKXQTDSGFCR-XQQFMLRXSA-N 2 0 226.364 1.291 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246018124 987301582 /nfs/dbraw/zinc/30/15/82/987301582.db2.gz AGLLFEJLHUABTK-CHWSQXEVSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246060174 987350362 /nfs/dbraw/zinc/35/03/62/987350362.db2.gz NFJNLAFYYOOPIE-IHRRRGAJSA-N 2 0 238.375 1.387 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246102180 987423282 /nfs/dbraw/zinc/42/32/82/987423282.db2.gz RNUWXMZYRGBAFE-YNEHKIRRSA-N 2 0 223.364 1.904 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246205692 987603708 /nfs/dbraw/zinc/60/37/08/987603708.db2.gz RMWAVTYQQCTXGK-KKOKHZNYSA-N 2 0 207.321 1.538 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[NH2+]1 ZINC001246283250 987635406 /nfs/dbraw/zinc/63/54/06/987635406.db2.gz AXJVWXUNNIFIOH-IUCAKERBSA-N 2 0 202.367 1.425 20 30 BDEDRP C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246267910 987663444 /nfs/dbraw/zinc/66/34/44/987663444.db2.gz SWQHZPDZSRPBOS-HNGCFSAESA-N 2 0 206.333 1.661 20 30 BDEDRP C[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270785 987666754 /nfs/dbraw/zinc/66/67/54/987666754.db2.gz MXSNHTBASKDTDZ-MFKMUULPSA-N 2 0 247.317 1.927 20 30 BDEDRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001246311487 987713334 /nfs/dbraw/zinc/71/33/34/987713334.db2.gz DSWWHGJOKXTBDV-BXUZGUMPSA-N 2 0 231.343 1.816 20 30 BDEDRP C#CCC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001474693139 987802313 /nfs/dbraw/zinc/80/23/13/987802313.db2.gz NUCFARCZHLODCR-AWEZNQCLSA-N 2 0 238.375 1.082 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246474758 987830959 /nfs/dbraw/zinc/83/09/59/987830959.db2.gz BCDRQDGWERESHV-TUAOUCFPSA-N 2 0 209.337 1.928 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246545759 987917091 /nfs/dbraw/zinc/91/70/91/987917091.db2.gz DABJLLCTYJAQHZ-FRRDWIJNSA-N 2 0 239.338 1.832 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562749 988010365 /nfs/dbraw/zinc/01/03/65/988010365.db2.gz ZLCKNWWNFPNEGR-WDEREUQCSA-N 2 0 245.317 1.985 20 30 BDEDRP C=CCOC1CCC([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246565323 988020455 /nfs/dbraw/zinc/02/04/55/988020455.db2.gz BJSOZRFPQJGACH-BLYZHGLHSA-N 2 0 238.375 1.779 20 30 BDEDRP CC1(C[NH3+])C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001246592336 988180065 /nfs/dbraw/zinc/18/00/65/988180065.db2.gz ZFBHMZYTIVXXGE-UHFFFAOYSA-N 2 0 221.348 1.739 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001326143679 989391430 /nfs/dbraw/zinc/39/14/30/989391430.db2.gz ZLFVLKGDKZJEHN-WJTVCTBASA-N 2 0 237.347 1.021 20 30 BDEDRP C=CCC[C@@H](C)NC(=[NH2+])NCC[NH+](CC)CC ZINC001258726043 991668225 /nfs/dbraw/zinc/66/82/25/991668225.db2.gz PWEDTXZDZGSVHD-GFCCVEGCSA-N 2 0 240.395 1.797 20 30 BDEDRP C=CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H](C)COC ZINC001574933131 992946551 /nfs/dbraw/zinc/94/65/51/992946551.db2.gz LXFZRWDQVWVUDE-FRRDWIJNSA-N 2 0 226.364 1.637 20 30 BDEDRP CC(C)(CC#N)C[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001575297437 993003859 /nfs/dbraw/zinc/00/38/59/993003859.db2.gz DJMXDCILAJJWAA-SQLBVSGCSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001575914840 993117314 /nfs/dbraw/zinc/11/73/14/993117314.db2.gz MRBXYLYESQPECP-WRWGMCAJSA-N 2 0 207.321 1.266 20 30 BDEDRP CC#CCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000155608381 136213122 /nfs/dbraw/zinc/21/31/22/136213122.db2.gz IKZDEMMMDFULQK-OAHLLOKOSA-N 2 0 249.402 1.112 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000576283626 365550998 /nfs/dbraw/zinc/55/09/98/365550998.db2.gz WNGFHTQYFZGKJT-OCCSQVGLSA-N 2 0 229.327 1.775 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602522506 349576131 /nfs/dbraw/zinc/57/61/31/349576131.db2.gz WSXYXHJKYJQDQB-QWHCGFSZSA-N 2 0 223.364 1.858 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000389378010 539016229 /nfs/dbraw/zinc/01/62/29/539016229.db2.gz BNUXVGNSHDXXER-NWDGAFQWSA-N 2 0 212.337 1.261 20 30 BDEDRP C[NH+]1CCC2(CC[N@H+](CC3(C#N)CC3)C2)CC1 ZINC000602876205 349806868 /nfs/dbraw/zinc/80/68/68/349806868.db2.gz FYVPSTWAAZBRSS-UHFFFAOYSA-N 2 0 233.359 1.708 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+]2CCCCC2)N1 ZINC000262669776 136374580 /nfs/dbraw/zinc/37/45/80/136374580.db2.gz QMSZHJOWSSXICH-LLVKDONJSA-N 2 0 238.379 1.188 20 30 BDEDRP C#CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000132811906 344308515 /nfs/dbraw/zinc/30/85/15/344308515.db2.gz FBYLBFLJTBHIAQ-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000574637902 344944495 /nfs/dbraw/zinc/94/44/95/344944495.db2.gz KZZQOQHBWUTYIW-GJZGRUSLSA-N 2 0 243.354 1.970 20 30 BDEDRP CC[C@H](CC#N)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156084493 345123762 /nfs/dbraw/zinc/12/37/62/345123762.db2.gz NCFSERUAEWNKDS-JHJVBQTASA-N 2 0 221.348 1.895 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309521027 347092081 /nfs/dbraw/zinc/09/20/81/347092081.db2.gz ANFLLXLCEVTVKR-FRRDWIJNSA-N 2 0 223.364 1.999 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000591576922 347676902 /nfs/dbraw/zinc/67/69/02/347676902.db2.gz PQTVUPVGGLHCQB-STQMWFEESA-N 2 0 221.348 1.658 20 30 BDEDRP Cn1cncc1CC[NH2+]CC(C)(C)CCC#N ZINC000401791914 347902682 /nfs/dbraw/zinc/90/26/82/347902682.db2.gz HMNFHVHLWGWRKU-UHFFFAOYSA-N 2 0 234.347 1.882 20 30 BDEDRP N#Cc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000594523965 348069923 /nfs/dbraw/zinc/06/99/23/348069923.db2.gz FXDKWBINFNRFNV-UHFFFAOYSA-N 2 0 241.338 1.873 20 30 BDEDRP C[C@]1(C#N)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000595904595 348396005 /nfs/dbraw/zinc/39/60/05/348396005.db2.gz IDGUICJOQZHHRW-CYBMUJFWSA-N 2 0 221.348 1.612 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653025 348606957 /nfs/dbraw/zinc/60/69/57/348606957.db2.gz YPXFATILRKLWQY-VXGBXAGGSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000596653023 348607035 /nfs/dbraw/zinc/60/70/35/348607035.db2.gz YPXFATILRKLWQY-NWDGAFQWSA-N 2 0 231.343 1.816 20 30 BDEDRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336684600 350921145 /nfs/dbraw/zinc/92/11/45/350921145.db2.gz SVAQJNYYWNNJJL-OLZOCXBDSA-N 2 0 223.364 1.999 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000334615405 354301902 /nfs/dbraw/zinc/30/19/02/354301902.db2.gz IXFVNHAMYOKILI-PYNQCMFNSA-N 2 0 221.348 1.786 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000335248465 355165358 /nfs/dbraw/zinc/16/53/58/355165358.db2.gz GGWCZTQISIXYDZ-YPMHNXCESA-N 2 0 233.359 1.895 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414973713 191637576 /nfs/dbraw/zinc/63/75/76/191637576.db2.gz LKYBZBKIFQAMKT-ZDUSSCGKSA-N 2 0 240.391 1.947 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329518980 355927280 /nfs/dbraw/zinc/92/72/80/355927280.db2.gz NTKUEIPAXAWNBA-VWYCJHECSA-N 2 0 230.315 1.549 20 30 BDEDRP C[C@H](CCCC[NH3+])[NH2+]CC1(CC#N)CC1 ZINC000423093636 192566118 /nfs/dbraw/zinc/56/61/18/192566118.db2.gz IHFPTSDRXWKXLZ-LLVKDONJSA-N 2 0 209.337 1.787 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547393165 325350457 /nfs/dbraw/zinc/35/04/57/325350457.db2.gz DANLBEYXXSGZJE-AWEZNQCLSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090883547 360092947 /nfs/dbraw/zinc/09/29/47/360092947.db2.gz YQINYOKNBUHTML-STQMWFEESA-N 2 0 226.364 1.509 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090450877 360073200 /nfs/dbraw/zinc/07/32/00/360073200.db2.gz BMHMDDMHWKQFIA-STQMWFEESA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404883 361055209 /nfs/dbraw/zinc/05/52/09/361055209.db2.gz SGSDVRWEMMLDPK-RYUDHWBXSA-N 2 0 214.353 1.413 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367592552 367087152 /nfs/dbraw/zinc/08/71/52/367087152.db2.gz DBVLTAPJDFAWGN-MGPQQGTHSA-N 2 0 220.360 1.862 20 30 BDEDRP CC[C@H](CC#N)[NH2+]CCCn1ccnc1C ZINC000581734844 367798538 /nfs/dbraw/zinc/79/85/38/367798538.db2.gz YQPPKSMFXYDSSF-GFCCVEGCSA-N 2 0 220.320 1.864 20 30 BDEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000405241548 369449700 /nfs/dbraw/zinc/44/97/00/369449700.db2.gz BKHOFGZWUQGMPA-CHWSQXEVSA-N 2 0 229.327 1.774 20 30 BDEDRP Cc1ccc(CN(C)C2CC([NH3+])C2)cc1C#N ZINC000600709390 369559690 /nfs/dbraw/zinc/55/96/90/369559690.db2.gz IZSKVKKJRQNBEI-UHFFFAOYSA-N 2 0 229.327 1.788 20 30 BDEDRP C[NH2+]CCOCCN(C)Cc1ccccc1C#N ZINC000600729197 369560981 /nfs/dbraw/zinc/56/09/81/369560981.db2.gz SLCBZGFHISAFDN-UHFFFAOYSA-N 2 0 247.342 1.226 20 30 BDEDRP C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600767390 369561037 /nfs/dbraw/zinc/56/10/37/369561037.db2.gz ASJRRYOQAPCIHA-IJLUTSLNSA-N 2 0 247.342 1.956 20 30 BDEDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C#N)cc1 ZINC000600710521 369561121 /nfs/dbraw/zinc/56/11/21/369561121.db2.gz OCPLYQDYKUHXHA-GFCCVEGCSA-N 2 0 247.342 1.574 20 30 BDEDRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000600710834 369561257 /nfs/dbraw/zinc/56/12/57/369561257.db2.gz QGGWGKCKMAITAI-GFCCVEGCSA-N 2 0 247.342 1.445 20 30 BDEDRP C[C@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769688 369562450 /nfs/dbraw/zinc/56/24/50/369562450.db2.gz YBGUUKAQQNUNST-CABZTGNLSA-N 2 0 219.288 1.320 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000600769291 369562620 /nfs/dbraw/zinc/56/26/20/369562620.db2.gz LLPPJVQYBOSKOB-UHFFFAOYSA-N 2 0 233.315 1.712 20 30 BDEDRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600769656 369563230 /nfs/dbraw/zinc/56/32/30/369563230.db2.gz XDBAAWAOWVWSOD-NSHDSACASA-N 2 0 233.315 1.583 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000600770203 369565148 /nfs/dbraw/zinc/56/51/48/369565148.db2.gz WMFGLMJPVVRXQH-ZJUUUORDSA-N 2 0 219.288 1.368 20 30 BDEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602543350 369810030 /nfs/dbraw/zinc/81/00/30/369810030.db2.gz BSYWYDLTXDSEHN-UHFFFAOYSA-N 2 0 244.342 1.385 20 30 BDEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623838419 371119501 /nfs/dbraw/zinc/11/95/01/371119501.db2.gz UKPKCRFRSHBJSK-RDBSUJKOSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723891 384677885 /nfs/dbraw/zinc/67/78/85/384677885.db2.gz FUUAZJXIACTXRD-UHFFFAOYSA-N 2 0 212.337 1.392 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170905846 385454924 /nfs/dbraw/zinc/45/49/24/385454924.db2.gz RUVKTORYGPKUGV-NSHDSACASA-N 2 0 247.346 1.293 20 30 BDEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000170912911 385456169 /nfs/dbraw/zinc/45/61/69/385456169.db2.gz YALCOUKWVWUUPZ-NSHDSACASA-N 2 0 249.362 1.539 20 30 BDEDRP C[C@@H](CCC#N)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000591016776 385548681 /nfs/dbraw/zinc/54/86/81/385548681.db2.gz XRXPZJOUAVZFKW-ZDUSSCGKSA-N 2 0 244.342 1.896 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186715620 385785680 /nfs/dbraw/zinc/78/56/80/385785680.db2.gz QUZDAUZSRJGQMZ-JHJVBQTASA-N 2 0 224.348 1.140 20 30 BDEDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414830153 386707257 /nfs/dbraw/zinc/70/72/57/386707257.db2.gz ARBYMJBKHSNJIF-LLVKDONJSA-N 2 0 247.342 1.512 20 30 BDEDRP C#CC[NH+](C)Cc1cccc(C[N@H+](C)CC#C)c1 ZINC000276922125 387525998 /nfs/dbraw/zinc/52/59/98/387525998.db2.gz HJUAUCIXDXLXOC-UHFFFAOYSA-N 2 0 240.350 1.817 20 30 BDEDRP CCN(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192748359 387530425 /nfs/dbraw/zinc/53/04/25/387530425.db2.gz CNRVDVCNTGNKIC-RYUDHWBXSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451981869 387691504 /nfs/dbraw/zinc/69/15/04/387691504.db2.gz JCEBZDNHIFTEJT-UHFFFAOYSA-N 2 0 225.380 1.178 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422994801 387802502 /nfs/dbraw/zinc/80/25/02/387802502.db2.gz WIEIHGUYJWZHCL-QWHCGFSZSA-N 2 0 226.364 1.557 20 30 BDEDRP CC1=CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442854946 387851887 /nfs/dbraw/zinc/85/18/87/387851887.db2.gz PDPHMQGGYNTVFT-KBPBESRZSA-N 2 0 233.359 1.920 20 30 BDEDRP C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000582660204 387868309 /nfs/dbraw/zinc/86/83/09/387868309.db2.gz ARAGCYZFWZEXSZ-HZSPNIEDSA-N 2 0 248.374 1.892 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106558 387892089 /nfs/dbraw/zinc/89/20/89/387892089.db2.gz ZZPFUAGSLHEKJE-XUXIUFHCSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000423146356 387923500 /nfs/dbraw/zinc/92/35/00/387923500.db2.gz AIDMQBYTPIOSSO-TUAOUCFPSA-N 2 0 212.337 1.437 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187596 387971634 /nfs/dbraw/zinc/97/16/34/387971634.db2.gz YGWLPPXQZOPGAQ-KBPBESRZSA-N 2 0 239.407 1.472 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424368993 387994722 /nfs/dbraw/zinc/99/47/22/387994722.db2.gz BXCNSVLBWLGWMQ-MWWBDVBNSA-N 2 0 236.359 1.450 20 30 BDEDRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447603813 388082090 /nfs/dbraw/zinc/08/20/90/388082090.db2.gz XURAQIBZOXFDBS-STQMWFEESA-N 2 0 239.363 1.237 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000451681103 388289620 /nfs/dbraw/zinc/28/96/20/388289620.db2.gz LHODRTNBVOWEGJ-MJBXVCDLSA-N 2 0 238.375 1.794 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423105534 388688757 /nfs/dbraw/zinc/68/87/57/388688757.db2.gz QRLFVJFXULYWGL-KBPBESRZSA-N 2 0 229.327 1.570 20 30 BDEDRP C=C(C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335665330 533513134 /nfs/dbraw/zinc/51/31/34/533513134.db2.gz AVJYSJMPYDCCCX-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP N#CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000335447673 133849378 /nfs/dbraw/zinc/84/93/78/133849378.db2.gz HERJMGVDFCCUCA-UHFFFAOYSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000352868294 134154871 /nfs/dbraw/zinc/15/48/71/134154871.db2.gz CVYQUAHSDMCVPY-AWEZNQCLSA-N 2 0 237.391 1.274 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211206 135066223 /nfs/dbraw/zinc/06/62/23/135066223.db2.gz FZNZLXIFWWRCKP-RDBSUJKOSA-N 2 0 233.359 1.706 20 30 BDEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261587041 135228357 /nfs/dbraw/zinc/22/83/57/135228357.db2.gz UTZUUDUAOVKXTP-KKUMJFAQSA-N 2 0 241.338 1.727 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000262002799 135271650 /nfs/dbraw/zinc/27/16/50/135271650.db2.gz QJIVDJSQACLBAH-LBPRGKRZSA-N 2 0 238.379 1.341 20 30 BDEDRP CN1CC[NH+]=C1NCC(C)(C)[NH+]1CCCCC1 ZINC000262629349 135309624 /nfs/dbraw/zinc/30/96/24/135309624.db2.gz FIOYUQBGAPGZCL-UHFFFAOYSA-N 2 0 238.379 1.142 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccccn1 ZINC000170904961 397825454 /nfs/dbraw/zinc/82/54/54/397825454.db2.gz DKNCKIAPYYWBKJ-UHFFFAOYSA-N 2 0 235.335 1.150 20 30 BDEDRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727491 398039379 /nfs/dbraw/zinc/03/93/79/398039379.db2.gz FHFXSBJWWHXPFH-IUODEOHRSA-N 2 0 243.354 1.792 20 30 BDEDRP C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665263937 410737466 /nfs/dbraw/zinc/73/74/66/410737466.db2.gz YKAGZMSEVFTAND-FUNVUKJBSA-N 2 0 224.348 1.452 20 30 BDEDRP C=CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400931240 411162796 /nfs/dbraw/zinc/16/27/96/411162796.db2.gz ONAOGOAKFRSNAZ-RWMBFGLXSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401099892 411177821 /nfs/dbraw/zinc/17/78/21/411177821.db2.gz CESKITWCGYNMFV-MGPQQGTHSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000658210580 411295254 /nfs/dbraw/zinc/29/52/54/411295254.db2.gz UQNFTEKTYPPZOY-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000189587532 170008086 /nfs/dbraw/zinc/00/80/86/170008086.db2.gz QQKKJHBJZCLREF-LBPRGKRZSA-N 2 0 246.358 1.328 20 30 BDEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662298948 412087216 /nfs/dbraw/zinc/08/72/16/412087216.db2.gz HQMVJZKMAZTFPD-STQMWFEESA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665263375 412205445 /nfs/dbraw/zinc/20/54/45/412205445.db2.gz LMASVDBTUHDFMT-NEPJUHHUSA-N 2 0 212.337 1.439 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000309431747 175666135 /nfs/dbraw/zinc/66/61/35/175666135.db2.gz MNKQIPGSECZGTQ-NSHDSACASA-N 2 0 217.316 1.775 20 30 BDEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000320264782 323104608 /nfs/dbraw/zinc/10/46/08/323104608.db2.gz KNLNMNFFUWDFIU-CQSZACIVSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535758003 323190576 /nfs/dbraw/zinc/19/05/76/323190576.db2.gz OQKFYGUNJWALBI-CHWSQXEVSA-N 2 0 249.358 1.537 20 30 BDEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000328227920 324267017 /nfs/dbraw/zinc/26/70/17/324267017.db2.gz BZNIZEJZJOHDNF-UHFFFAOYSA-N 2 0 244.342 1.578 20 30 BDEDRP COCC#CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000677820219 487517799 /nfs/dbraw/zinc/51/77/99/487517799.db2.gz JJAZMCJPQIJYCJ-ZIAGYGMSSA-N 2 0 236.359 1.052 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277596 534355712 /nfs/dbraw/zinc/35/57/12/534355712.db2.gz LQRVPOCWMJDBCV-QWHCGFSZSA-N 2 0 240.391 1.633 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000424377149 527499670 /nfs/dbraw/zinc/49/96/70/527499670.db2.gz MEJLKFLHFZAGMH-VOAKCMCISA-N 2 0 224.348 1.308 20 30 BDEDRP C=CC[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC000892396693 582875392 /nfs/dbraw/zinc/87/53/92/582875392.db2.gz KEOHBZAVBNKDBQ-UHFFFAOYSA-N 2 0 247.346 1.430 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000104191484 583162573 /nfs/dbraw/zinc/16/25/73/583162573.db2.gz JMCBBXAYTITAQP-JTQLQIEISA-N 2 0 228.384 1.420 20 30 BDEDRP CC[C@@H](C)CON=C(C)c1c[nH]c(N)[nH+]1 ZINC000901246043 584408308 /nfs/dbraw/zinc/40/83/08/584408308.db2.gz KRRMFBDCVWTIML-SSDOTTSWSA-N 2 0 210.281 1.779 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375891 584567945 /nfs/dbraw/zinc/56/79/45/584567945.db2.gz YYLFRSZSWCQDSZ-VXGBXAGGSA-N 2 0 226.364 1.291 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385668 584578032 /nfs/dbraw/zinc/57/80/32/584578032.db2.gz ABMGHWWZGBCGIO-UPJWGTAASA-N 2 0 238.375 1.698 20 30 BDEDRP C=CC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)COC ZINC000903766949 584797572 /nfs/dbraw/zinc/79/75/72/584797572.db2.gz DINSAOQWMFIWCJ-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815315 584801140 /nfs/dbraw/zinc/80/11/40/584801140.db2.gz MCCIGJHGPNJOBM-UHFFFAOYSA-N 2 0 224.348 1.407 20 30 BDEDRP C#CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000760861095 585400435 /nfs/dbraw/zinc/40/04/35/585400435.db2.gz APBUKRJRIMDYLK-QWHCGFSZSA-N 2 0 208.349 1.672 20 30 BDEDRP C#CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000764241171 585462653 /nfs/dbraw/zinc/46/26/53/585462653.db2.gz NXKSTHISCUPDIE-CYBMUJFWSA-N 2 0 208.349 1.816 20 30 BDEDRP CCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771550425 585595973 /nfs/dbraw/zinc/59/59/73/585595973.db2.gz JCQTZRKJKHKLSP-UHFFFAOYSA-N 2 0 247.342 1.809 20 30 BDEDRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817942023 586845181 /nfs/dbraw/zinc/84/51/81/586845181.db2.gz XAXQUCOGISUYLK-GFCCVEGCSA-N 2 0 247.342 1.849 20 30 BDEDRP C#CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830647529 587562400 /nfs/dbraw/zinc/56/24/00/587562400.db2.gz MEZGHDSLCKVDFO-UHFFFAOYSA-N 2 0 236.359 1.196 20 30 BDEDRP C#C[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000847021731 588302661 /nfs/dbraw/zinc/30/26/61/588302661.db2.gz OGNLROKGDJHGSM-GFCCVEGCSA-N 2 0 203.289 1.228 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000848994079 588428298 /nfs/dbraw/zinc/42/82/98/588428298.db2.gz OVPUHLHUIMLSMV-UHFFFAOYSA-N 2 0 226.368 1.455 20 30 BDEDRP C[NH+]=C(NCC1(C)CC[NH+](C)CC1)NC1CC1 ZINC000849016568 588436936 /nfs/dbraw/zinc/43/69/36/588436936.db2.gz SBRFOFAVUNUXPU-UHFFFAOYSA-N 2 0 238.379 1.046 20 30 BDEDRP CCNC(NCC[N@@H+]1CCC[C@H]1C)=[NH+]CC ZINC000849214544 588461753 /nfs/dbraw/zinc/46/17/53/588461753.db2.gz NUMFRGCXJBAFFC-LLVKDONJSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000852092316 588661263 /nfs/dbraw/zinc/66/12/63/588661263.db2.gz SVGHFXSRUCIZPH-AWEZNQCLSA-N 2 0 236.359 1.054 20 30 BDEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000203030368 589209052 /nfs/dbraw/zinc/20/90/52/589209052.db2.gz DZWWNMUEYHXIOM-NSHDSACASA-N 2 0 238.379 1.175 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000203020452 589209059 /nfs/dbraw/zinc/20/90/59/589209059.db2.gz DQHSUZJNPGZDHZ-NSHDSACASA-N 2 0 226.368 1.031 20 30 BDEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000873258258 590012959 /nfs/dbraw/zinc/01/29/59/590012959.db2.gz ZBJHIWDPCMILEW-MPKXVKKWSA-N 2 0 229.327 1.946 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CCCC ZINC000876542306 590212744 /nfs/dbraw/zinc/21/27/44/590212744.db2.gz NNFFFKIUAXEZEV-ZJUUUORDSA-N 2 0 247.770 1.090 20 30 BDEDRP C#CCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594127 590825849 /nfs/dbraw/zinc/82/58/49/590825849.db2.gz YKXWHCMSVIUFKK-UHFFFAOYSA-N 2 0 249.402 1.112 20 30 BDEDRP C#CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702526 590852271 /nfs/dbraw/zinc/85/22/71/590852271.db2.gz OKKYFXZMVZLYCP-UHFFFAOYSA-N 2 0 222.376 1.919 20 30 BDEDRP C=CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262666 590980662 /nfs/dbraw/zinc/98/06/62/590980662.db2.gz RRDINYCDBFUVDL-GFCCVEGCSA-N 2 0 217.316 1.778 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000883388879 591640595 /nfs/dbraw/zinc/64/05/95/591640595.db2.gz FLZMKOKXJKAYQO-AWEZNQCLSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000883390202 591641612 /nfs/dbraw/zinc/64/16/12/591641612.db2.gz HYSVQTNBKJHIQW-RWMBFGLXSA-N 2 0 226.364 1.386 20 30 BDEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(CC)c2)C1 ZINC000884610532 591993964 /nfs/dbraw/zinc/99/39/64/591993964.db2.gz OSYPSNLPNLKOOK-OAHLLOKOSA-N 2 0 243.354 1.575 20 30 BDEDRP CC(C)CNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000104181100 592603251 /nfs/dbraw/zinc/60/32/51/592603251.db2.gz LQJHFDOUTPGXIT-UHFFFAOYSA-N 2 0 240.395 1.279 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849005067 631905575 /nfs/dbraw/zinc/90/55/75/631905575.db2.gz UEZLJWIUQPKFBA-NSHDSACASA-N 2 0 224.352 1.018 20 30 BDEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)NC1CC1 ZINC000161473568 632045100 /nfs/dbraw/zinc/04/51/00/632045100.db2.gz LRYSUWLESLGLNT-UHFFFAOYSA-N 2 0 238.379 1.319 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000894737878 635919357 /nfs/dbraw/zinc/91/93/57/635919357.db2.gz GUEVROFTGURJPV-KGLIPLIRSA-N 2 0 238.375 1.651 20 30 BDEDRP C=CCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000183646122 633986197 /nfs/dbraw/zinc/98/61/97/633986197.db2.gz KYSRDXLVWVWFMF-UHFFFAOYSA-N 2 0 238.379 1.199 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925683610 634287040 /nfs/dbraw/zinc/28/70/40/634287040.db2.gz TXLHCCBADCBVBM-KXNHARMFSA-N 2 0 222.332 1.189 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925702376 634376342 /nfs/dbraw/zinc/37/63/42/634376342.db2.gz CARVPJZUXMJDGX-IRCOFANPSA-N 2 0 219.332 1.538 20 30 BDEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000303488792 636309932 /nfs/dbraw/zinc/30/99/32/636309932.db2.gz WKFRXMIGHUXQPE-SNVBAGLBSA-N 2 0 226.368 1.044 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000303987741 636320708 /nfs/dbraw/zinc/32/07/08/636320708.db2.gz JLGXJUKTEZGXKP-WDEREUQCSA-N 2 0 226.368 1.031 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000911726774 639753506 /nfs/dbraw/zinc/75/35/06/639753506.db2.gz HEBXWBZTHOZWNF-HTAVTVPLSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931443106 640198628 /nfs/dbraw/zinc/19/86/28/640198628.db2.gz RLSANHNCNINWBZ-RWMBFGLXSA-N 2 0 208.349 1.835 20 30 BDEDRP C=CCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439139 640202353 /nfs/dbraw/zinc/20/23/53/640202353.db2.gz LVKWOOHYCSWEBK-OLZOCXBDSA-N 2 0 208.349 1.836 20 30 BDEDRP C=CCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933740019 640759437 /nfs/dbraw/zinc/75/94/37/640759437.db2.gz GHTPLQHQGHNTIW-OLZOCXBDSA-N 2 0 208.349 1.836 20 30 BDEDRP C#C[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229892795 640992430 /nfs/dbraw/zinc/99/24/30/640992430.db2.gz VUKJZWJLAVFSCJ-WODVXLOZSA-N 2 0 206.333 1.613 20 30 BDEDRP CNC(NC[C@@H]1CCC[N@H+](CC(C)C)C1)=[NH+]C ZINC000305208502 641178705 /nfs/dbraw/zinc/17/87/05/641178705.db2.gz OUUWURRQVARXPY-LBPRGKRZSA-N 2 0 240.395 1.149 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N(C)C1CC1 ZINC000305810875 642701605 /nfs/dbraw/zinc/70/16/05/642701605.db2.gz JFHYGVFCXWEFQI-SNVBAGLBSA-N 2 0 226.368 1.126 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000923284483 644309393 /nfs/dbraw/zinc/30/93/93/644309393.db2.gz NSGAFCSHHWKZNV-DGCLKSJQSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000923280819 644315346 /nfs/dbraw/zinc/31/53/46/644315346.db2.gz JOFLOJAXOLLJKV-AVGNSLFASA-N 2 0 226.364 1.515 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329689 644349475 /nfs/dbraw/zinc/34/94/75/644349475.db2.gz XHIMKNHRPGJRPM-PIGZVRMJSA-N 2 0 238.375 1.528 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923371507 644383904 /nfs/dbraw/zinc/38/39/04/644383904.db2.gz XRPBMBJWRKKAEZ-RYUDHWBXSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CC[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397748 644405289 /nfs/dbraw/zinc/40/52/89/644405289.db2.gz GKENZRMSHFFOQU-STQMWFEESA-N 2 0 236.359 1.263 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923445104 644429851 /nfs/dbraw/zinc/42/98/51/644429851.db2.gz XITNFOWYWHMHCQ-QWHCGFSZSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(Cl)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491957 644468258 /nfs/dbraw/zinc/46/82/58/644468258.db2.gz VJSZYUNUOHOSAA-SCZZXKLOSA-N 2 0 202.729 1.656 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303364259 644819138 /nfs/dbraw/zinc/81/91/38/644819138.db2.gz FMNYENMFAYIHKR-SNVBAGLBSA-N 2 0 214.357 1.029 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303388410 644819841 /nfs/dbraw/zinc/81/98/41/644819841.db2.gz XCUXXJUFBIXTTH-KOLCDFICSA-N 2 0 226.368 1.029 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000303385366 644820601 /nfs/dbraw/zinc/82/06/01/644820601.db2.gz VNAHSAPNOVPSJG-NWDGAFQWSA-N 2 0 240.395 1.421 20 30 BDEDRP CCCCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303691164 644838556 /nfs/dbraw/zinc/83/85/56/644838556.db2.gz AKERTETXSDIEDW-UHFFFAOYSA-N 2 0 228.384 1.279 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCCCC1 ZINC000303714971 644840363 /nfs/dbraw/zinc/84/03/63/644840363.db2.gz RSJGZLIIXTXNOX-UHFFFAOYSA-N 2 0 226.368 1.129 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NCCC(C)C)C1CC1 ZINC000303976017 644861180 /nfs/dbraw/zinc/86/11/80/644861180.db2.gz JRBFILSPXGDYPF-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NC(C)C ZINC000304752354 644929929 /nfs/dbraw/zinc/92/99/29/644929929.db2.gz KDOKVSIIQGISMQ-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000304743604 644929963 /nfs/dbraw/zinc/92/99/63/644929963.db2.gz DERKDIOJNOCUSY-LLVKDONJSA-N 2 0 226.368 1.174 20 30 BDEDRP CC(C)ON=Cc1c[nH+]ccc1N(C)C ZINC000835002857 645157843 /nfs/dbraw/zinc/15/78/43/645157843.db2.gz PEFANMNYKLJNPO-UHFFFAOYSA-N 2 0 207.277 1.907 20 30 BDEDRP CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779741 646307274 /nfs/dbraw/zinc/30/72/74/646307274.db2.gz IISMKSXGLPIBMF-JHJVBQTASA-N 2 0 239.363 1.066 20 30 BDEDRP CC1(C)[C@H]([NH2+]CCCC#N)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925635211 646378639 /nfs/dbraw/zinc/37/86/39/646378639.db2.gz PEENDCLRBNDGOF-TUAOUCFPSA-N 2 0 221.348 1.656 20 30 BDEDRP C=C1CCC(C[NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000724440894 711580810 /nfs/dbraw/zinc/58/08/10/711580810.db2.gz MOKUMUVEVGBMBI-LLVKDONJSA-N 2 0 208.349 1.930 20 30 BDEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000392840302 711153769 /nfs/dbraw/zinc/15/37/69/711153769.db2.gz YUOJHVUIAOVAFW-HUUCEWRRSA-N 3 0 249.402 1.158 20 30 BDEDRP CCNC(NCC1(C)CC[NH+](C)CC1)=[NH+]CC ZINC000395974906 711218653 /nfs/dbraw/zinc/21/86/53/711218653.db2.gz ORYJKVHJFCRZBT-UHFFFAOYSA-N 2 0 240.395 1.293 20 30 BDEDRP CCNC(NC[C@@H]1CC[N@@H+](C(C)C)C1)=[NH+]CC ZINC000395997476 711219010 /nfs/dbraw/zinc/21/90/10/711219010.db2.gz YHOXFZHZEIVJET-LBPRGKRZSA-N 2 0 240.395 1.292 20 30 BDEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(C)c2)C1 ZINC000884611958 712647971 /nfs/dbraw/zinc/64/79/71/712647971.db2.gz ZQDJULREYYUOHF-CQSZACIVSA-N 2 0 229.327 1.321 20 30 BDEDRP C=CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874206 712873356 /nfs/dbraw/zinc/87/33/56/712873356.db2.gz WZSWRBNZSRNHQX-IUCAKERBSA-N 2 0 222.254 1.632 20 30 BDEDRP C=CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874208 712873390 /nfs/dbraw/zinc/87/33/90/712873390.db2.gz WZSWRBNZSRNHQX-RKDXNWHRSA-N 2 0 222.254 1.632 20 30 BDEDRP C[NH+]1CCC(CC[NH+]2CC(CC#N)C2)CC1 ZINC001207479517 960351387 /nfs/dbraw/zinc/35/13/87/960351387.db2.gz JVPQCXCHYNJQQG-UHFFFAOYSA-N 2 0 221.348 1.564 20 30 BDEDRP CC1([NH+]2CCC2)CCC([NH2+]CCC#N)CC1 ZINC000905600203 964915017 /nfs/dbraw/zinc/91/50/17/964915017.db2.gz HUMQJNZWBKGPPZ-UHFFFAOYSA-N 2 0 221.348 1.897 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCS)C2 ZINC001169107630 969445203 /nfs/dbraw/zinc/44/52/03/969445203.db2.gz IMKBORAWDSBDQT-JGPRNRPPSA-N 2 0 214.378 1.521 20 30 BDEDRP C=CC[NH2+]CCN(C)CCC1CC[NH2+]CC1 ZINC001235714404 979129024 /nfs/dbraw/zinc/12/90/24/979129024.db2.gz KZKHMSVIHHXLLQ-UHFFFAOYSA-N 2 0 225.380 1.084 20 30 BDEDRP C#CC[N@@H+](C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256698035 970925527 /nfs/dbraw/zinc/92/55/27/970925527.db2.gz KJPZFWWAPUIMTI-UHFFFAOYSA-N 2 0 236.359 1.195 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000404250850 971151009 /nfs/dbraw/zinc/15/10/09/971151009.db2.gz JQBRLUPJIHTNOK-UHFFFAOYSA-N 2 0 247.317 1.868 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000405230202 971214855 /nfs/dbraw/zinc/21/48/55/971214855.db2.gz AHDQTGYZLRNVHK-KGLIPLIRSA-N 2 0 241.338 1.918 20 30 BDEDRP C=CCSCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405294619 971232096 /nfs/dbraw/zinc/23/20/96/971232096.db2.gz GAAXJQRSTVHKAS-QWRGUYRKSA-N 2 0 226.389 1.765 20 30 BDEDRP C=CCCC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156702 974327410 /nfs/dbraw/zinc/32/74/10/974327410.db2.gz SCGYBMNVRSCLTG-WDEREUQCSA-N 2 0 200.301 1.714 20 30 BDEDRP Cc1nc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1C ZINC001170898384 972053011 /nfs/dbraw/zinc/05/30/11/972053011.db2.gz UGCZPQGIFCFWAU-LBPRGKRZSA-N 2 0 247.346 1.314 20 30 BDEDRP C=C(C)c1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170897271 972054882 /nfs/dbraw/zinc/05/48/82/972054882.db2.gz LFPXLBYBKHZAKQ-NSHDSACASA-N 2 0 220.320 1.550 20 30 BDEDRP Cc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001170900315 972063693 /nfs/dbraw/zinc/06/36/93/972063693.db2.gz RUFRGNYCHNYXKS-GFCCVEGCSA-N 2 0 218.304 1.302 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246019036 972117120 /nfs/dbraw/zinc/11/71/20/972117120.db2.gz HEOVJTRNAXEQPI-STQMWFEESA-N 2 0 244.354 1.466 20 30 BDEDRP C[NH+](C)CCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC001208920319 957243437 /nfs/dbraw/zinc/24/34/37/957243437.db2.gz FKQSQVKFEIFQIR-UHFFFAOYSA-N 2 0 245.370 1.984 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001209267337 957374852 /nfs/dbraw/zinc/37/48/52/957374852.db2.gz GCBYCLNWPFFPOG-OKILXGFUSA-N 2 0 220.360 1.673 20 30 BDEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135174493 958316168 /nfs/dbraw/zinc/31/61/68/958316168.db2.gz JZLPDAOXDSMEGP-UHFFFAOYSA-N 2 0 247.342 1.973 20 30 BDEDRP C#CCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000686675499 960782796 /nfs/dbraw/zinc/78/27/96/960782796.db2.gz VDEOSHKKLYTTOM-CHWSQXEVSA-N 2 0 206.333 1.331 20 30 BDEDRP [NH2+]=C(NCCCC[NH3+])Nc1cccc(/C=N/O)c1 ZINC001167882738 961462977 /nfs/dbraw/zinc/46/29/77/961462977.db2.gz WKBYPGKRCBXFDD-CXUHLZMHSA-N 2 0 249.318 1.170 20 30 BDEDRP C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(C)CC1 ZINC000695811458 962201610 /nfs/dbraw/zinc/20/16/10/962201610.db2.gz IZIZTFRGRJTZBD-NSHDSACASA-N 2 0 223.364 1.999 20 30 BDEDRP C#CC[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895563078 963433606 /nfs/dbraw/zinc/43/36/06/963433606.db2.gz SSRCVCKNQPTLTD-ZDUSSCGKSA-N 2 0 220.360 1.673 20 30 BDEDRP N#Cc1cnc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159779961 964193984 /nfs/dbraw/zinc/19/39/84/964193984.db2.gz MHTSHWPWZGADMJ-SNVBAGLBSA-N 2 0 239.710 1.042 20 30 BDEDRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001168327672 964461350 /nfs/dbraw/zinc/46/13/50/964461350.db2.gz QXWJANIVOIHGKH-HIFPTAJRSA-N 2 0 221.348 1.705 20 30 BDEDRP SCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168354000 964494655 /nfs/dbraw/zinc/49/46/55/964494655.db2.gz XVABUUCWTSNVKU-UHFFFAOYSA-N 2 0 214.378 1.380 20 30 BDEDRP N#Cc1ccccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205093696 965719796 /nfs/dbraw/zinc/71/97/96/965719796.db2.gz FAHKFIAEDUOKHP-CQSZACIVSA-N 2 0 229.327 1.871 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000715518639 966943975 /nfs/dbraw/zinc/94/39/75/966943975.db2.gz LZWAYXRFJJDVGT-UHFFFAOYSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCn1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205141204 967388455 /nfs/dbraw/zinc/38/84/55/967388455.db2.gz YJSOIIUXOHYJJF-WCQYABFASA-N 2 0 234.347 1.096 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000693912135 967611984 /nfs/dbraw/zinc/61/19/84/967611984.db2.gz MVJZQHGSKUZIAJ-LBPRGKRZSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205663356 967748312 /nfs/dbraw/zinc/74/83/12/967748312.db2.gz HYQORRPSPAPHGM-GFCCVEGCSA-N 2 0 212.337 1.128 20 30 BDEDRP C=CCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464259 968324512 /nfs/dbraw/zinc/32/45/12/968324512.db2.gz LGYZFIVSAWWGFF-UONOGXRCSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CC[NH2+]CCN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206583714 968401067 /nfs/dbraw/zinc/40/10/67/968401067.db2.gz VQQBYTQWEWIRCY-AWEZNQCLSA-N 2 0 239.407 1.615 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252579979 968833342 /nfs/dbraw/zinc/83/33/42/968833342.db2.gz ZPBUPPBIHAVMOW-CRWXNKLISA-N 2 0 238.375 1.528 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC001252590020 968846752 /nfs/dbraw/zinc/84/67/52/968846752.db2.gz XXVPKXGOTAFWBG-LBPRGKRZSA-N 2 0 214.353 1.197 20 30 BDEDRP C=C[C@@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001253586146 969268072 /nfs/dbraw/zinc/26/80/72/969268072.db2.gz HHZNECGLRFYUAE-GFCCVEGCSA-N 2 0 214.353 1.197 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001253600382 969293297 /nfs/dbraw/zinc/29/32/97/969293297.db2.gz CDAQHFDLVQRWFY-CYBMUJFWSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001253606959 969305647 /nfs/dbraw/zinc/30/56/47/969305647.db2.gz OVLFDQJWJBRANO-CQSZACIVSA-N 2 0 238.375 1.387 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001253610526 969313813 /nfs/dbraw/zinc/31/38/13/969313813.db2.gz FRKOVJNSZQWOEX-WXRRBKDZSA-N 2 0 226.364 1.243 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001254645430 969761996 /nfs/dbraw/zinc/76/19/96/969761996.db2.gz BOLRFNFKIGRVNP-SMDDNHRTSA-N 2 0 229.327 1.927 20 30 BDEDRP N#CCc1cc(NCC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC001169567651 969767839 /nfs/dbraw/zinc/76/78/39/969767839.db2.gz NQSDNRJARJXJMX-LLVKDONJSA-N 2 0 230.315 1.124 20 30 BDEDRP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(CC#N)c1 ZINC001169719058 969831595 /nfs/dbraw/zinc/83/15/95/969831595.db2.gz UYSLQEOAXQIENK-UHFFFAOYSA-N 2 0 246.358 1.712 20 30 BDEDRP N#Cc1ccccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222531269 972550146 /nfs/dbraw/zinc/55/01/46/972550146.db2.gz ASUBRNSTDSBNLI-UHFFFAOYSA-N 2 0 247.317 1.821 20 30 BDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246567438 972817109 /nfs/dbraw/zinc/81/71/09/972817109.db2.gz KUVKVLQHVPBKAF-ZOBORPQBSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCOCC[NH3+] ZINC001171180675 972817244 /nfs/dbraw/zinc/81/72/44/972817244.db2.gz CAUHOFVHNKJILV-GFCCVEGCSA-N 2 0 247.342 1.054 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001246863910 973191427 /nfs/dbraw/zinc/19/14/27/973191427.db2.gz SSUUKAWBIHWSSR-RHYQMDGZSA-N 2 0 205.305 1.102 20 30 BDEDRP N#CCCCC[C@H](N)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC001329868458 973984968 /nfs/dbraw/zinc/98/49/68/973984968.db2.gz UMCKGMZPBFZFQI-UWVGGRQHSA-N 2 0 249.318 1.578 20 30 BDEDRP C#CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111133 974374806 /nfs/dbraw/zinc/37/48/06/974374806.db2.gz QJYAYAOFFDHWRI-CLLJXQQHSA-N 2 0 206.333 1.615 20 30 BDEDRP C=CCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172246318 974515267 /nfs/dbraw/zinc/51/52/67/974515267.db2.gz AEWYIBDWTAWHBK-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001173350833 975296343 /nfs/dbraw/zinc/29/63/43/975296343.db2.gz QLXUPNHSIIMHHI-SNVBAGLBSA-N 2 0 236.294 1.020 20 30 BDEDRP CC1(C#N)CCC([NH2+]CCCC[NH3+])CC1 ZINC001173586128 975424067 /nfs/dbraw/zinc/42/40/67/975424067.db2.gz IQCBVXBVMJUHHD-UHFFFAOYSA-N 2 0 209.337 1.787 20 30 BDEDRP C=CCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054604 978965735 /nfs/dbraw/zinc/96/57/35/978965735.db2.gz XAROIDBUABYFSY-AWEZNQCLSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001341660561 979514715 /nfs/dbraw/zinc/51/47/15/979514715.db2.gz VULHDBWWPWGITP-UTUOFQBUSA-N 2 0 239.363 1.056 20 30 BDEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC001346179121 980778575 /nfs/dbraw/zinc/77/85/75/980778575.db2.gz HBUYZKHLLHRCGB-OAHLLOKOSA-N 2 0 248.370 1.645 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252579299 983834096 /nfs/dbraw/zinc/83/40/96/983834096.db2.gz LGTXGBOWUNCHQO-CQSZACIVSA-N 2 0 245.326 1.632 20 30 BDEDRP C#CCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275975977 984762049 /nfs/dbraw/zinc/76/20/49/984762049.db2.gz UTCQBZHFFKIFJK-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP C=CCC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258718157 986045448 /nfs/dbraw/zinc/04/54/48/986045448.db2.gz IFZQYYWXXPTOFN-QMMMGPOBSA-N 2 0 201.339 1.557 20 30 BDEDRP CC[C@@H](CC#N)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001255154530 986827358 /nfs/dbraw/zinc/82/73/58/986827358.db2.gz ISXWLIFKIOSAHA-LBPRGKRZSA-N 2 0 221.348 1.754 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245973706 987248085 /nfs/dbraw/zinc/24/80/85/987248085.db2.gz KKNVKXQTDSGFCR-AGIUHOORSA-N 2 0 226.364 1.291 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245980342 987259808 /nfs/dbraw/zinc/25/98/08/987259808.db2.gz NSTCRYAQALOIPY-NWDGAFQWSA-N 2 0 224.348 1.045 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017606 987300268 /nfs/dbraw/zinc/30/02/68/987300268.db2.gz RYCSTMLHJVFSRQ-NWDGAFQWSA-N 2 0 212.337 1.127 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246017903 987300581 /nfs/dbraw/zinc/30/05/81/987300581.db2.gz CQMDQMVGABJSCJ-RYUDHWBXSA-N 2 0 212.337 1.127 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018320 987301527 /nfs/dbraw/zinc/30/15/27/987301527.db2.gz AUSIFEIIDPXLSN-OLZOCXBDSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246053794 987345713 /nfs/dbraw/zinc/34/57/13/987345713.db2.gz VCSPQXOHOFJANP-MJBXVCDLSA-N 2 0 238.375 1.245 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@@H]2C[NH2+]CC23CC3)CC1 ZINC001246136846 987493188 /nfs/dbraw/zinc/49/31/88/987493188.db2.gz YEZWTIDMTYJVFZ-OTTFEQOBSA-N 2 0 233.359 1.800 20 30 BDEDRP C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C[NH2+]1 ZINC001246221816 987619792 /nfs/dbraw/zinc/61/97/92/987619792.db2.gz KDWKEAXRLKLYMG-PSASIEDQSA-N 2 0 236.294 1.067 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478147 987829772 /nfs/dbraw/zinc/82/97/72/987829772.db2.gz SXGOBFTWLHRBNU-WOPDTQHZSA-N 2 0 214.328 1.878 20 30 BDEDRP C#CCCC1(CC[NH2+][C@H]2CC[NH2+][C@H](C)C2)N=N1 ZINC001246511136 987861104 /nfs/dbraw/zinc/86/11/04/987861104.db2.gz AEZRTMVMFVDFQL-NEPJUHHUSA-N 2 0 234.347 1.682 20 30 BDEDRP C#CCCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N=N1 ZINC001246516432 987866294 /nfs/dbraw/zinc/86/62/94/987866294.db2.gz SRSJSWWCQGXALF-FUNVUKJBSA-N 2 0 246.358 1.825 20 30 BDEDRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001246540858 987902287 /nfs/dbraw/zinc/90/22/87/987902287.db2.gz FSFGSZFTISMLIB-IKWCTNDRSA-N 2 0 221.348 1.880 20 30 BDEDRP N#CC1CCC([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246548123 987940182 /nfs/dbraw/zinc/94/01/82/987940182.db2.gz RALMOEUKGJHFFO-CPCZMJQVSA-N 2 0 221.348 1.882 20 30 BDEDRP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246553999 987962902 /nfs/dbraw/zinc/96/29/02/987962902.db2.gz AOKYNAWMJVCJCH-XJFOESAGSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564154 988003643 /nfs/dbraw/zinc/00/36/43/988003643.db2.gz WBWHLAIZEPGEMH-OLZOCXBDSA-N 2 0 239.363 1.244 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562743 988010331 /nfs/dbraw/zinc/01/03/31/988010331.db2.gz ZLCKNWWNFPNEGR-GHMZBOCLSA-N 2 0 245.317 1.985 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246590881 988169096 /nfs/dbraw/zinc/16/90/96/988169096.db2.gz IKDMRHXWECTMKK-AGIUHOORSA-N 2 0 221.348 1.739 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246607226 988227460 /nfs/dbraw/zinc/22/74/60/988227460.db2.gz VLHACUMCYITVTQ-ZDUSSCGKSA-N 2 0 237.391 1.369 20 30 BDEDRP N#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246831689 988526391 /nfs/dbraw/zinc/52/63/91/988526391.db2.gz KCOCNIIILHYXEF-HABKJSAYSA-N 2 0 233.359 1.895 20 30 BDEDRP CCCCCCC[C@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834386 988531035 /nfs/dbraw/zinc/53/10/35/988531035.db2.gz UHVAWHRCZGTWKX-ZDUSSCGKSA-N 2 0 229.412 1.955 20 30 BDEDRP CC[NH+]1CCC(C[N@H+](C)[C@H](C)CC#N)CC1 ZINC001308590656 991054969 /nfs/dbraw/zinc/05/49/69/991054969.db2.gz ZPLWNXCMNLOALB-GFCCVEGCSA-N 2 0 223.364 1.952 20 30 BDEDRP C#CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC001574673926 992889182 /nfs/dbraw/zinc/88/91/82/992889182.db2.gz RIYLCSYKQNTXLC-UHFFFAOYSA-N 2 0 240.350 1.930 20 30 BDEDRP C#Cc1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC001574757691 992899466 /nfs/dbraw/zinc/89/94/66/992899466.db2.gz YPYNPODGQVCNSK-OAHLLOKOSA-N 2 0 228.339 1.757 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC001574960703 992949301 /nfs/dbraw/zinc/94/93/01/992949301.db2.gz UEQNYGRYGANUOY-FIQHERPVSA-N 2 0 224.348 1.293 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001576807802 993427576 /nfs/dbraw/zinc/42/75/76/993427576.db2.gz VSCNKQGCWFPJAM-DGCLKSJQSA-N 2 0 244.342 1.370 20 30 BDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602477219 349564538 /nfs/dbraw/zinc/56/45/38/349564538.db2.gz ZHSJRWUQKUNDQW-CHWSQXEVSA-N 2 0 223.364 1.810 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602558462 349598543 /nfs/dbraw/zinc/59/85/43/349598543.db2.gz AUDHLPUVKIJTQP-FRRDWIJNSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000231798704 342693824 /nfs/dbraw/zinc/69/38/24/342693824.db2.gz FFXDUDCHTCLTSS-NEPJUHHUSA-N 2 0 212.337 1.439 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309955150 343108690 /nfs/dbraw/zinc/10/86/90/343108690.db2.gz HWLCRCVJULLKIU-UPJWGTAASA-N 2 0 221.348 1.610 20 30 BDEDRP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000625704647 344049709 /nfs/dbraw/zinc/04/97/09/344049709.db2.gz ZFWZVPXBACERIF-QWHCGFSZSA-N 2 0 226.364 1.197 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000600708248 344361123 /nfs/dbraw/zinc/36/11/23/344361123.db2.gz KWNSXNRPSKKKAU-NEPJUHHUSA-N 2 0 237.347 1.166 20 30 BDEDRP C=CCC[C@H](O)CN1CCC([NH+](C)C)CC1 ZINC000155372805 345079280 /nfs/dbraw/zinc/07/92/80/345079280.db2.gz RUBXKYYLAHVXPD-ZDUSSCGKSA-N 2 0 226.364 1.340 20 30 BDEDRP C#CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907727 346206311 /nfs/dbraw/zinc/20/63/11/346206311.db2.gz GFENJHIBUBYZRO-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000591578226 347677436 /nfs/dbraw/zinc/67/74/36/347677436.db2.gz BVPUSEHKMVKBTR-FRRDWIJNSA-N 2 0 221.348 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000591580002 347677604 /nfs/dbraw/zinc/67/76/04/347677604.db2.gz FHGAOFCYOIUALE-UPJWGTAASA-N 2 0 233.359 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000591578227 347677993 /nfs/dbraw/zinc/67/79/93/347677993.db2.gz BVPUSEHKMVKBTR-JHJVBQTASA-N 2 0 221.348 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000591579999 347678005 /nfs/dbraw/zinc/67/80/05/347678005.db2.gz FHGAOFCYOIUALE-AGIUHOORSA-N 2 0 233.359 1.800 20 30 BDEDRP CC1([NH3+])CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595895783 348391762 /nfs/dbraw/zinc/39/17/62/348391762.db2.gz VGFCUPQKWHMPNH-UHFFFAOYSA-N 2 0 243.354 1.914 20 30 BDEDRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336654284 191123978 /nfs/dbraw/zinc/12/39/78/191123978.db2.gz GNZJEQPRVOCEPG-JHJVBQTASA-N 2 0 223.364 1.997 20 30 BDEDRP C=CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958017 350872137 /nfs/dbraw/zinc/87/21/37/350872137.db2.gz QXJUIFDQLRVPIP-UHFFFAOYSA-N 2 0 224.348 1.217 20 30 BDEDRP C#CCC[N@@H+]1CCC2(C1)CC[NH+](CCC#C)CC2 ZINC000369949262 352156772 /nfs/dbraw/zinc/15/67/72/352156772.db2.gz VKMBTZMKGQGREE-UHFFFAOYSA-N 2 0 244.382 1.821 20 30 BDEDRP C=CC[C@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393853470 353851272 /nfs/dbraw/zinc/85/12/72/353851272.db2.gz WVKQOUYSJXPEJQ-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000334614765 354299883 /nfs/dbraw/zinc/29/98/83/354299883.db2.gz FGWCSMHNTMDKBR-NEPJUHHUSA-N 2 0 207.321 1.268 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000335840748 355584582 /nfs/dbraw/zinc/58/45/82/355584582.db2.gz YDHGMCJSDAQFOM-KBPBESRZSA-N 2 0 233.359 1.920 20 30 BDEDRP C=CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351905283 356179016 /nfs/dbraw/zinc/17/90/16/356179016.db2.gz TZMRUIJHZHYNCN-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423018858 192542245 /nfs/dbraw/zinc/54/22/45/192542245.db2.gz SCERODALIMKISJ-OTTFEQOBSA-N 2 0 226.364 1.278 20 30 BDEDRP CC#CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756964 356664192 /nfs/dbraw/zinc/66/41/92/356664192.db2.gz FFEJOIYZXLQCJR-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192909980 357852830 /nfs/dbraw/zinc/85/28/30/357852830.db2.gz OKTJXMMXYSKZBW-YHWZYXNKSA-N 2 0 206.333 1.615 20 30 BDEDRP C=C(C)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129268207 358585277 /nfs/dbraw/zinc/58/52/77/358585277.db2.gz JRZBWAZUOKEVFO-CYBMUJFWSA-N 2 0 224.348 1.217 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000090883546 360092563 /nfs/dbraw/zinc/09/25/63/360092563.db2.gz YQINYOKNBUHTML-OLZOCXBDSA-N 2 0 226.364 1.509 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423278210 200855773 /nfs/dbraw/zinc/85/57/73/200855773.db2.gz QVERPDHPZLHOHC-NHYWBVRUSA-N 2 0 243.354 1.991 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000573677262 364889885 /nfs/dbraw/zinc/88/98/85/364889885.db2.gz VNGLHHAWSBHTHM-HSBZDZAISA-N 2 0 248.374 1.892 20 30 BDEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367592550 367087410 /nfs/dbraw/zinc/08/74/10/367087410.db2.gz DBVLTAPJDFAWGN-BFHYXJOUSA-N 2 0 220.360 1.862 20 30 BDEDRP CC[C@@H](CC#N)[NH2+]CCCn1ccnc1C ZINC000581734845 367798372 /nfs/dbraw/zinc/79/83/72/367798372.db2.gz YQPPKSMFXYDSSF-LBPRGKRZSA-N 2 0 220.320 1.864 20 30 BDEDRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1C#N ZINC000600700921 369559757 /nfs/dbraw/zinc/55/97/57/369559757.db2.gz FRIPWJLSXUGEAS-ZDUSSCGKSA-N 2 0 229.327 1.647 20 30 BDEDRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(C#N)o1 ZINC000600769625 369562520 /nfs/dbraw/zinc/56/25/20/369562520.db2.gz PVQUTBZVDPAALG-UWVGGRQHSA-N 2 0 219.288 1.320 20 30 BDEDRP N#Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000600769450 369563636 /nfs/dbraw/zinc/56/36/36/369563636.db2.gz NHURBANLJNRXHU-GXFFZTMASA-N 2 0 231.299 1.335 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000600770202 369565168 /nfs/dbraw/zinc/56/51/68/369565168.db2.gz WMFGLMJPVVRXQH-VHSXEESVSA-N 2 0 219.288 1.368 20 30 BDEDRP Cc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000601328833 369621597 /nfs/dbraw/zinc/62/15/97/369621597.db2.gz AJWSKUMECAIATM-RISCZKNCSA-N 2 0 229.327 1.788 20 30 BDEDRP C[NH+](C)CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602527114 369805116 /nfs/dbraw/zinc/80/51/16/369805116.db2.gz YULDEVUYBBULLB-UHFFFAOYSA-N 2 0 232.331 1.385 20 30 BDEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231021 371418475 /nfs/dbraw/zinc/41/84/75/371418475.db2.gz NMRCTASTKWPBBZ-ZIAGYGMSSA-N 2 0 240.391 1.778 20 30 BDEDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000216029169 371683688 /nfs/dbraw/zinc/68/36/88/371683688.db2.gz NSRQIXAMAOIUNG-BXUZGUMPSA-N 2 0 229.327 1.727 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000424377771 206039077 /nfs/dbraw/zinc/03/90/77/206039077.db2.gz MYQOVBGDFXMHSC-FQUUOJAGSA-N 2 0 238.375 1.685 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000424381868 206040451 /nfs/dbraw/zinc/04/04/51/206040451.db2.gz RMBVCTXDNJADIH-RFGFWPKPSA-N 2 0 238.375 1.555 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000424380949 206040621 /nfs/dbraw/zinc/04/06/21/206040621.db2.gz QHISMNIGZMXAIT-XUXIUFHCSA-N 2 0 238.375 1.827 20 30 BDEDRP C=C(C)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808505 384514949 /nfs/dbraw/zinc/51/49/49/384514949.db2.gz IIIMSZOIRAGZDV-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000044535350 384658045 /nfs/dbraw/zinc/65/80/45/384658045.db2.gz SENPBJSJCQJBIK-HNNXBMFYSA-N 2 0 243.354 1.990 20 30 BDEDRP C=CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334453978 386102008 /nfs/dbraw/zinc/10/20/08/386102008.db2.gz MOBWLXXSDZLVBS-ZIAGYGMSSA-N 2 0 237.391 1.130 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181767597 386381984 /nfs/dbraw/zinc/38/19/84/386381984.db2.gz GLUDVESBFDFCAT-STQMWFEESA-N 2 0 226.364 1.651 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645187120 386849985 /nfs/dbraw/zinc/84/99/85/386849985.db2.gz XVKBGQKZFIJPNI-KGLIPLIRSA-N 2 0 238.375 1.341 20 30 BDEDRP C[NH+](C)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334960712 387040803 /nfs/dbraw/zinc/04/08/03/387040803.db2.gz YWJWGOCAARLVGL-UONOGXRCSA-N 2 0 235.375 1.952 20 30 BDEDRP C[NH+](C)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334960713 387041724 /nfs/dbraw/zinc/04/17/24/387041724.db2.gz YWJWGOCAARLVGL-ZIAGYGMSSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423498772 387340196 /nfs/dbraw/zinc/34/01/96/387340196.db2.gz CBJPYAHHNDSCTL-AVGNSLFASA-N 2 0 226.364 1.555 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422854487 387738657 /nfs/dbraw/zinc/73/86/57/387738657.db2.gz AVGLBJDXOKVPHT-TZMCWYRMSA-N 2 0 237.391 1.367 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422979179 387788676 /nfs/dbraw/zinc/78/86/76/387788676.db2.gz LRYLPNQYOKQUDW-UONOGXRCSA-N 2 0 237.391 1.496 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422983489 387793630 /nfs/dbraw/zinc/79/36/30/387793630.db2.gz ZRPVBJJKPPROGP-STQMWFEESA-N 2 0 239.407 1.742 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423014120 387836418 /nfs/dbraw/zinc/83/64/18/387836418.db2.gz OKXZRYGWIYZXGF-QWHCGFSZSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423012701 387836753 /nfs/dbraw/zinc/83/67/53/387836753.db2.gz DOTDPDDZMYJNIU-YNEHKIRRSA-N 2 0 226.364 1.421 20 30 BDEDRP C=CCCOCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423015234 387838520 /nfs/dbraw/zinc/83/85/20/387838520.db2.gz QNHUURAATBBYEP-MNOVXSKESA-N 2 0 200.326 1.295 20 30 BDEDRP C=C(C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423028760 387845230 /nfs/dbraw/zinc/84/52/30/387845230.db2.gz RCRXSMDCUOGDKR-LBPRGKRZSA-N 2 0 216.328 1.897 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000423095872 387884658 /nfs/dbraw/zinc/88/46/58/387884658.db2.gz NHYHVJAWRQDAEQ-VXGBXAGGSA-N 2 0 221.348 1.658 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423155732 387934048 /nfs/dbraw/zinc/93/40/48/387934048.db2.gz LNUCFWPPIVVXJT-SDDRHHMPSA-N 2 0 212.337 1.295 20 30 BDEDRP C=CCC[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423167774 387953223 /nfs/dbraw/zinc/95/32/23/387953223.db2.gz XDSIJGOBMUVDHM-WXRRBKDZSA-N 2 0 226.364 1.421 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423256168 388037477 /nfs/dbraw/zinc/03/74/77/388037477.db2.gz BJYQFYAIRMECGG-QJPTWQEYSA-N 2 0 209.337 1.514 20 30 BDEDRP C=CCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000086723901 388108328 /nfs/dbraw/zinc/10/83/28/388108328.db2.gz SZKVCMRFBGVVNG-UHFFFAOYSA-N 2 0 226.364 1.782 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000451611831 388284376 /nfs/dbraw/zinc/28/43/76/388284376.db2.gz XXOJVSBIVLEVHH-XQQFMLRXSA-N 2 0 224.348 1.404 20 30 BDEDRP C#C[C@H](CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000310009737 388472924 /nfs/dbraw/zinc/47/29/24/388472924.db2.gz IEEIBVKELPKNAD-CYBMUJFWSA-N 2 0 220.360 1.862 20 30 BDEDRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(C#N)c1 ZINC000037715556 388586844 /nfs/dbraw/zinc/58/68/44/388586844.db2.gz ADIZGCCMRSRZNG-LLVKDONJSA-N 2 0 217.316 1.948 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222449314 388635137 /nfs/dbraw/zinc/63/51/37/388635137.db2.gz JGWITKRSVFMPOF-BFHYXJOUSA-N 2 0 240.391 1.897 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000404829846 388636043 /nfs/dbraw/zinc/63/60/43/388636043.db2.gz HYJXTEJLZDERJH-TZMCWYRMSA-N 2 0 247.317 1.914 20 30 BDEDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423202213 388688005 /nfs/dbraw/zinc/68/80/05/388688005.db2.gz QHUBZVJTIGTEHE-NSHDSACASA-N 2 0 217.316 1.818 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN(CC)CCO ZINC000248919876 388700240 /nfs/dbraw/zinc/70/02/40/388700240.db2.gz DXRSGOYNEZZVKC-CHWSQXEVSA-N 2 0 228.380 1.491 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565223778 388928544 /nfs/dbraw/zinc/92/85/44/388928544.db2.gz AMDFXMIWZOFAMU-KXNHARMFSA-N 2 0 210.321 1.189 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000332686380 134006762 /nfs/dbraw/zinc/00/67/62/134006762.db2.gz UNPOZETXGPQZSI-YFKTTZPYSA-N 2 0 207.321 1.396 20 30 BDEDRP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371185440 134227399 /nfs/dbraw/zinc/22/73/99/134227399.db2.gz SCDGCHSWDJHZQB-ZFWWWQNUSA-N 2 0 232.371 1.958 20 30 BDEDRP C=C(C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371296067 134228393 /nfs/dbraw/zinc/22/83/93/134228393.db2.gz WSBHFBKCXDHXCH-MGPQQGTHSA-N 2 0 238.375 1.746 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000168603976 134231660 /nfs/dbraw/zinc/23/16/60/134231660.db2.gz IAFMTPPPTKVKTH-QWHCGFSZSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378245986 134245562 /nfs/dbraw/zinc/24/55/62/134245562.db2.gz FDZVZKJVDVUTGX-MELADBBJSA-N 2 0 238.375 1.746 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336659073 134891460 /nfs/dbraw/zinc/89/14/60/134891460.db2.gz BNUUEWCPOXGGDX-LBPRGKRZSA-N 2 0 214.353 1.686 20 30 BDEDRP C=CCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000338539515 135039783 /nfs/dbraw/zinc/03/97/83/135039783.db2.gz HNCPFSAMIVAIMQ-UHFFFAOYSA-N 2 0 247.342 1.788 20 30 BDEDRP CCc1cccc(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000264107320 135132906 /nfs/dbraw/zinc/13/29/06/135132906.db2.gz OAOCJYZOEUNAAY-UHFFFAOYSA-N 2 0 248.374 1.927 20 30 BDEDRP N#Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555684 135195086 /nfs/dbraw/zinc/19/50/86/135195086.db2.gz BQNHCWDGNGSEDB-HUUCEWRRSA-N 2 0 241.338 1.600 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000261986806 135269829 /nfs/dbraw/zinc/26/98/29/135269829.db2.gz KHPWJRVKIZRWEG-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676683 135312667 /nfs/dbraw/zinc/31/26/67/135312667.db2.gz UFUVNFJDMQQLHO-NEPJUHHUSA-N 2 0 238.379 1.044 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCCC(C)(C)C2)N1 ZINC000262686228 135313853 /nfs/dbraw/zinc/31/38/53/135313853.db2.gz YMDRDTSQGWXVSV-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP CN(C)C(=[NH+]CC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000263145381 135335604 /nfs/dbraw/zinc/33/56/04/135335604.db2.gz OTULLSMKKNRGCS-LBPRGKRZSA-N 2 0 240.395 1.198 20 30 BDEDRP C=CCOCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000348171571 136042808 /nfs/dbraw/zinc/04/28/08/136042808.db2.gz VOUJQLNUGQJFBH-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347927 411208964 /nfs/dbraw/zinc/20/89/64/411208964.db2.gz PISYYQFUZWHGRA-BFHYXJOUSA-N 2 0 238.375 1.781 20 30 BDEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347930 411209344 /nfs/dbraw/zinc/20/93/44/411209344.db2.gz PISYYQFUZWHGRA-MJBXVCDLSA-N 2 0 238.375 1.781 20 30 BDEDRP C=CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360127 411218135 /nfs/dbraw/zinc/21/81/35/411218135.db2.gz BDEXBCOJNDCVHY-UPJWGTAASA-N 2 0 224.348 1.533 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400956267 411166598 /nfs/dbraw/zinc/16/65/98/411166598.db2.gz HGXVPIRRPOXHKH-MGPQQGTHSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000665263641 412202682 /nfs/dbraw/zinc/20/26/82/412202682.db2.gz QVULRVGDBMOBTR-QWHCGFSZSA-N 2 0 226.364 1.699 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000665263893 412207004 /nfs/dbraw/zinc/20/70/04/412207004.db2.gz XMQKFDVDZWKGLA-STQMWFEESA-N 2 0 226.364 1.829 20 30 BDEDRP C=CCOCCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000665263897 412208107 /nfs/dbraw/zinc/20/81/07/412208107.db2.gz XRTVRAWMPVAPOB-OLZOCXBDSA-N 2 0 226.364 1.699 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678774691 487641605 /nfs/dbraw/zinc/64/16/05/487641605.db2.gz CBVJSJJUKQZDKJ-QWHCGFSZSA-N 2 0 240.391 1.491 20 30 BDEDRP N#Cc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000570400378 323058455 /nfs/dbraw/zinc/05/84/55/323058455.db2.gz WAYSHPHMGYOYGC-CQSZACIVSA-N 2 0 229.327 1.790 20 30 BDEDRP C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1C[NH2+]C1 ZINC000567895695 326278339 /nfs/dbraw/zinc/27/83/39/326278339.db2.gz UOANWGBGSHRJLP-NSHDSACASA-N 2 0 229.327 1.450 20 30 BDEDRP CC#CC[N@@H+]1CCC2(C1)CC[NH+](CC#CC)CC2 ZINC000368764335 534708017 /nfs/dbraw/zinc/70/80/17/534708017.db2.gz ZJBYHLBXKANBNE-UHFFFAOYSA-N 2 0 244.382 1.821 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@H]1C ZINC000261992377 535549910 /nfs/dbraw/zinc/54/99/10/535549910.db2.gz MNOIFRNELUKORE-IJLUTSLNSA-N 2 0 238.379 1.031 20 30 BDEDRP CN1CCC[NH+]=C1NCC[N@@H+]1CCCC1(C)C ZINC000263139093 536361433 /nfs/dbraw/zinc/36/14/33/536361433.db2.gz NZDJXINXJVKIBJ-UHFFFAOYSA-N 2 0 238.379 1.142 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]CC1CC[NH+](C)CC1 ZINC000893284439 583085150 /nfs/dbraw/zinc/08/51/50/583085150.db2.gz RUHJRQZVFOXRCP-ZDUSSCGKSA-N 2 0 226.364 1.102 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375887 584568132 /nfs/dbraw/zinc/56/81/32/584568132.db2.gz YYLFRSZSWCQDSZ-NWDGAFQWSA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)NCc1nc(C#N)cs1 ZINC000902446368 584597953 /nfs/dbraw/zinc/59/79/53/584597953.db2.gz OOKWAPVILOKUKZ-HTQZYQBOSA-N 2 0 224.333 1.230 20 30 BDEDRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000902443590 584598221 /nfs/dbraw/zinc/59/82/21/584598221.db2.gz LEZIDQBMTAWKKF-UTUOFQBUSA-N 2 0 221.348 1.656 20 30 BDEDRP N#CC1CCC(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000903421302 584763766 /nfs/dbraw/zinc/76/37/66/584763766.db2.gz KXSNNHBEEZUAJJ-UHFFFAOYSA-N 2 0 235.375 1.987 20 30 BDEDRP N#CC1CCC(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000903423025 584764410 /nfs/dbraw/zinc/76/44/10/584764410.db2.gz NJCJPJSKJBVBSX-BPCQOVAHSA-N 2 0 221.348 1.597 20 30 BDEDRP C[C@@]1(C#N)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464574 584771397 /nfs/dbraw/zinc/77/13/97/584771397.db2.gz RZDXDYVXCRSNJW-WOPDTQHZSA-N 2 0 207.321 1.349 20 30 BDEDRP C=CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510112 584781150 /nfs/dbraw/zinc/78/11/50/584781150.db2.gz OVBHDBBUHXZVCZ-GASCZTMLSA-N 2 0 249.402 1.463 20 30 BDEDRP C#CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000760842259 585399258 /nfs/dbraw/zinc/39/92/58/585399258.db2.gz FCEIVEHKSNZJBD-AWEZNQCLSA-N 2 0 220.360 1.673 20 30 BDEDRP C[NH+]1CCC(C[N@H+](CCC#N)CC2CC2)CC1 ZINC000788482676 585925237 /nfs/dbraw/zinc/92/52/37/585925237.db2.gz QDTXFCDUVWAXCW-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000817942199 586845544 /nfs/dbraw/zinc/84/55/44/586845544.db2.gz YKHZJJQRWVTYJA-CYBMUJFWSA-N 2 0 246.354 1.959 20 30 BDEDRP C[C@H](CCNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000849018479 588438224 /nfs/dbraw/zinc/43/82/24/588438224.db2.gz ZUWCHAGDQFUCEM-VXGBXAGGSA-N 2 0 238.379 1.188 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000203020430 589208685 /nfs/dbraw/zinc/20/86/85/589208685.db2.gz UCESIQFEVFEUHP-JTQLQIEISA-N 2 0 226.368 1.174 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000203020542 589208963 /nfs/dbraw/zinc/20/89/63/589208963.db2.gz OBCCQYUFYGISDS-JTQLQIEISA-N 2 0 226.368 1.031 20 30 BDEDRP CC[NH+](CC)[C@H](CNC(NC)=[NH+]C)CC(C)C ZINC000122468479 589592452 /nfs/dbraw/zinc/59/24/52/589592452.db2.gz KRCIVLDLDQRGEL-LBPRGKRZSA-N 2 0 242.411 1.538 20 30 BDEDRP CC1(C#N)CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873251091 590008109 /nfs/dbraw/zinc/00/81/09/590008109.db2.gz SVLRHEQGFQGHLY-MPEURRAXSA-N 2 0 221.348 1.786 20 30 BDEDRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000873251393 590008212 /nfs/dbraw/zinc/00/82/12/590008212.db2.gz LZKVTKHPHYTIQP-QKCSRTOESA-N 2 0 229.327 1.946 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873251699 590008587 /nfs/dbraw/zinc/00/85/87/590008587.db2.gz NNYOSMYNLBSRBK-WYUUTHIRSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000873256147 590011210 /nfs/dbraw/zinc/01/12/10/590011210.db2.gz LZKVTKHPHYTIQP-MPKXVKKWSA-N 2 0 229.327 1.946 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873256520 590011525 /nfs/dbraw/zinc/01/15/25/590011525.db2.gz NNYOSMYNLBSRBK-FIQHERPVSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274734 590017129 /nfs/dbraw/zinc/01/71/29/590017129.db2.gz FVXNBGNEXYBVIW-FIXISWKDSA-N 2 0 243.354 1.741 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000876529479 590209849 /nfs/dbraw/zinc/20/98/49/590209849.db2.gz DWRHMURFXYGJDI-SECBINFHSA-N 2 0 247.770 1.090 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000876542305 590212797 /nfs/dbraw/zinc/21/27/97/590212797.db2.gz NNFFFKIUAXEZEV-VHSXEESVSA-N 2 0 247.770 1.090 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000883390296 591641754 /nfs/dbraw/zinc/64/17/54/591641754.db2.gz JBZPZHWTIVTIHO-RWMBFGLXSA-N 2 0 238.375 1.528 20 30 BDEDRP C#CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132453 592448624 /nfs/dbraw/zinc/44/86/24/592448624.db2.gz GCFHZKHNUVYZRE-ZDUSSCGKSA-N 2 0 229.327 1.615 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(NC1CC1)=[NH+]C ZINC000103337884 592578911 /nfs/dbraw/zinc/57/89/11/592578911.db2.gz ROMWIRHWCLYWBO-SNVBAGLBSA-N 2 0 226.368 1.044 20 30 BDEDRP CCCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000104181663 592604200 /nfs/dbraw/zinc/60/42/00/592604200.db2.gz OKBATXINRUPCPW-UHFFFAOYSA-N 2 0 226.368 1.033 20 30 BDEDRP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000253188362 634526315 /nfs/dbraw/zinc/52/63/15/634526315.db2.gz JWQDYIBLNSPCOA-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1C#N ZINC000925837354 635493784 /nfs/dbraw/zinc/49/37/84/635493784.db2.gz GDHOUIFLJOLYMG-OCCSQVGLSA-N 2 0 243.354 1.954 20 30 BDEDRP CN1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@]2(C)C1 ZINC000933732531 631494165 /nfs/dbraw/zinc/49/41/65/631494165.db2.gz RAHZRJHKRYFSMI-MQYQWHSLSA-N 2 0 233.359 1.562 20 30 BDEDRP CNC(NCCCCCCC[NH+](C)C)=[NH+]C ZINC000161554184 632079919 /nfs/dbraw/zinc/07/99/19/632079919.db2.gz CWMLTGCGYXQPNZ-UHFFFAOYSA-N 2 0 228.384 1.293 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000328027704 633212887 /nfs/dbraw/zinc/21/28/87/633212887.db2.gz UQSPZAKZNRNKMV-CYBMUJFWSA-N 2 0 238.375 1.489 20 30 BDEDRP C[NH+](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC000051814415 636025783 /nfs/dbraw/zinc/02/57/83/636025783.db2.gz PBYGZRLCAKQCTO-UHFFFAOYSA-N 2 0 230.355 1.970 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000309501000 633938647 /nfs/dbraw/zinc/93/86/47/633938647.db2.gz LPBXDBNMQPLVIU-SECBINFHSA-N 2 0 214.357 1.077 20 30 BDEDRP CNC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000195523283 634365226 /nfs/dbraw/zinc/36/52/26/634365226.db2.gz CTIJBGHGYACPCN-UHFFFAOYSA-N 2 0 214.357 1.033 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](CC)CCC ZINC000083052954 635165933 /nfs/dbraw/zinc/16/59/33/635165933.db2.gz HPMNDCQIXQYHQC-UHFFFAOYSA-N 2 0 226.368 1.199 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892963 635618195 /nfs/dbraw/zinc/61/81/95/635618195.db2.gz IOBACZFGXWZINX-GHMZBOCLSA-N 2 0 247.346 1.081 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC[NH3+] ZINC000911629637 639689957 /nfs/dbraw/zinc/68/99/57/639689957.db2.gz LESHBBLGHGGVAH-NSHDSACASA-N 2 0 229.368 1.139 20 30 BDEDRP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229547411 640966492 /nfs/dbraw/zinc/96/64/92/640966492.db2.gz UCIWJQDOYKMUTE-JHJVBQTASA-N 2 0 206.333 1.615 20 30 BDEDRP C[C@H](CC#N)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120814 641135491 /nfs/dbraw/zinc/13/54/91/641135491.db2.gz CHQBAGDLEWQSFG-LLVKDONJSA-N 2 0 209.337 1.562 20 30 BDEDRP N#Cc1cc(C[NH2+]CCCn2ccnc2)cs1 ZINC000921472825 642631365 /nfs/dbraw/zinc/63/13/65/642631365.db2.gz SOEQUIMHQISEFI-UHFFFAOYSA-N 2 0 246.339 1.996 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCCCCC1 ZINC000305090712 642639275 /nfs/dbraw/zinc/63/92/75/642639275.db2.gz WPYBIQKAMQDTCW-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP CCCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305808287 642701065 /nfs/dbraw/zinc/70/10/65/642701065.db2.gz HPENRJPAEXUVEV-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP CN(C(=[NH2+])NCC[N@H+](C)C1CCCC1)C1CC1 ZINC000305816634 642702395 /nfs/dbraw/zinc/70/23/95/642702395.db2.gz MOQRCAUHYWSOFE-UHFFFAOYSA-N 2 0 238.379 1.270 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923294778 644332613 /nfs/dbraw/zinc/33/26/13/644332613.db2.gz PMGBRJNGMOSBNE-OLZOCXBDSA-N 2 0 228.380 1.619 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000923296455 644334219 /nfs/dbraw/zinc/33/42/19/644334219.db2.gz SDGDKVBBBCCXFB-RYUDHWBXSA-N 2 0 212.337 1.031 20 30 BDEDRP CCCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303773117 644844373 /nfs/dbraw/zinc/84/43/73/644844373.db2.gz FAUGRJPMOVNVTD-UHFFFAOYSA-N 2 0 240.395 1.567 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCC)C1 ZINC000303895469 644853938 /nfs/dbraw/zinc/85/39/38/644853938.db2.gz TVLYQNSOXOWFTO-LBPRGKRZSA-N 2 0 240.395 1.423 20 30 BDEDRP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303895902 644855891 /nfs/dbraw/zinc/85/58/91/644855891.db2.gz PSLOUUKPEGFLTF-GFCCVEGCSA-N 2 0 240.395 1.423 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304748219 644929430 /nfs/dbraw/zinc/92/94/30/644929430.db2.gz GZYRGJFOKPHNKJ-UHFFFAOYSA-N 2 0 228.384 1.325 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1(C#N)CCC1 ZINC000926627829 645323959 /nfs/dbraw/zinc/32/39/59/645323959.db2.gz RCNVMQAJEIOCLS-FUNVUKJBSA-N 2 0 233.359 1.610 20 30 BDEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000846059630 645396432 /nfs/dbraw/zinc/39/64/32/645396432.db2.gz FRKHPDLDXBCVHM-CYBMUJFWSA-N 2 0 230.355 1.955 20 30 BDEDRP N#CC1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000929313054 646073706 /nfs/dbraw/zinc/07/37/06/646073706.db2.gz PQNACVDWCSNOLW-NWINJMCUSA-N 2 0 233.359 1.468 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549972 646327269 /nfs/dbraw/zinc/32/72/69/646327269.db2.gz OKCVQWZIIXRERE-GXTWGEPZSA-N 2 0 237.391 1.367 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925609922 646360443 /nfs/dbraw/zinc/36/04/43/646360443.db2.gz XRCDXGVHLWNBOS-GFCCVEGCSA-N 2 0 221.348 1.945 20 30 BDEDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCC#N)C1 ZINC000925637271 646380081 /nfs/dbraw/zinc/38/00/81/646380081.db2.gz JCNRXNCZWYTGIG-WDEREUQCSA-N 2 0 209.337 1.786 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925707398 646432134 /nfs/dbraw/zinc/43/21/34/646432134.db2.gz INLKGYTUCLZSFO-GFCCVEGCSA-N 2 0 224.348 1.453 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925770201 646470126 /nfs/dbraw/zinc/47/01/26/646470126.db2.gz HTQYJNOUFPDOSK-GMTAPVOTSA-N 2 0 200.326 1.029 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000925783273 646479821 /nfs/dbraw/zinc/47/98/21/646479821.db2.gz DUQZKXNIVJHEEY-MROQNXINSA-N 2 0 221.348 1.514 20 30 BDEDRP C[NH+](C)[C@@H]1[C@H]2CN(CC3(CC#N)CC3)C[C@H]21 ZINC000394982597 711199411 /nfs/dbraw/zinc/19/94/11/711199411.db2.gz XGEMEAJWZCBUDF-GDNZZTSVSA-N 2 0 219.332 1.172 20 30 BDEDRP C=CC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703705952 712084443 /nfs/dbraw/zinc/08/44/43/712084443.db2.gz NTFSRYVFNFLPEO-AGIUHOORSA-N 2 0 208.349 1.740 20 30 BDEDRP C[C@@H](CCC#N)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570180 712252236 /nfs/dbraw/zinc/25/22/36/712252236.db2.gz BQRRTCUKJMTOQC-LBPRGKRZSA-N 2 0 239.363 1.067 20 30 BDEDRP C#CC1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207287858 968719386 /nfs/dbraw/zinc/71/93/86/968719386.db2.gz HNCZZMVYJDGUTF-UHFFFAOYSA-N 2 0 222.376 1.919 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] ZINC001340150546 978981712 /nfs/dbraw/zinc/98/17/12/978981712.db2.gz WGUCEGXNAOJZJA-VXGBXAGGSA-N 2 0 243.395 1.528 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC001342107629 979658786 /nfs/dbraw/zinc/65/87/86/979658786.db2.gz NIFHRQBEEOJSKN-NEPJUHHUSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC001357363093 983698922 /nfs/dbraw/zinc/69/89/22/983698922.db2.gz WBHUNNIJJUDWAN-LBPRGKRZSA-N 2 0 241.379 1.128 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](C)C[NH3+] ZINC001171191839 972836089 /nfs/dbraw/zinc/83/60/89/972836089.db2.gz GQDARHIMQWBZQA-NWDGAFQWSA-N 2 0 231.343 1.674 20 30 BDEDRP N#Cc1ccc(F)c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170899044 972059210 /nfs/dbraw/zinc/05/92/10/972059210.db2.gz HCSCARGHZAXSEE-NSHDSACASA-N 2 0 222.267 1.133 20 30 BDEDRP N#CCc1cc(F)cc(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170903854 972076671 /nfs/dbraw/zinc/07/66/71/972076671.db2.gz LZKDWGKLEJMZKB-GFCCVEGCSA-N 2 0 236.294 1.327 20 30 BDEDRP C=CCCCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220484808 972232650 /nfs/dbraw/zinc/23/26/50/972232650.db2.gz VJAQVXFSLKJGIS-LBPRGKRZSA-N 2 0 241.379 1.128 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442742 972315878 /nfs/dbraw/zinc/31/58/78/972315878.db2.gz DQGOFENAKABEHE-RISCZKNCSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246451481 972319707 /nfs/dbraw/zinc/31/97/07/972319707.db2.gz HJVQNIUPABVKIR-LBPRGKRZSA-N 2 0 213.369 1.259 20 30 BDEDRP CC(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303770765 963076442 /nfs/dbraw/zinc/07/64/42/963076442.db2.gz CCLPZCLWYKQCAS-GFCCVEGCSA-N 2 0 242.411 1.523 20 30 BDEDRP C[NH+](C)C1CCC([N@H+](C)CCC#N)CC1 ZINC001168314340 964422943 /nfs/dbraw/zinc/42/29/43/964422943.db2.gz FEEBCYOVWKNVEE-UHFFFAOYSA-N 2 0 209.337 1.705 20 30 BDEDRP C#CCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168327892 964459486 /nfs/dbraw/zinc/45/94/86/964459486.db2.gz SGNXBJMLULRHIB-UHFFFAOYSA-N 2 0 249.402 1.110 20 30 BDEDRP C=CC(NCC[C@H]1CCC[N@H+](C)C1)=[NH+]COC ZINC001165273661 966015271 /nfs/dbraw/zinc/01/52/71/966015271.db2.gz TXYJBTVPDGIRHX-GFCCVEGCSA-N 2 0 239.363 1.496 20 30 BDEDRP C#Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205146397 967386392 /nfs/dbraw/zinc/38/63/92/967386392.db2.gz UJOBBGTYMJJPGO-SWLSCSKDSA-N 2 0 228.339 1.695 20 30 BDEDRP C=CCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665799 967759623 /nfs/dbraw/zinc/75/96/23/967759623.db2.gz VNCHRPUCHIMFOA-CYBMUJFWSA-N 2 0 226.364 1.518 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252577605 968830843 /nfs/dbraw/zinc/83/08/43/968830843.db2.gz LCXJPYSSDXDNRJ-CQSZACIVSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252614611 968873330 /nfs/dbraw/zinc/87/33/30/968873330.db2.gz MTELHLZNKBGYLZ-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252616937 968875640 /nfs/dbraw/zinc/87/56/40/968875640.db2.gz WERYYSXHPCGGAL-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC(C#N)C1)C2 ZINC001169119341 969413549 /nfs/dbraw/zinc/41/35/49/969413549.db2.gz RPEYRFGGJFGUPX-PAZDGXDMSA-N 2 0 219.332 1.503 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001254641766 969756730 /nfs/dbraw/zinc/75/67/30/969756730.db2.gz ASMZWPTURXGYBK-CHWSQXEVSA-N 2 0 233.359 1.754 20 30 BDEDRP CN(c1cc[nH+]c(CC#N)c1)C(C)(C)C[NH3+] ZINC001170059942 970114415 /nfs/dbraw/zinc/11/44/15/970114415.db2.gz ZBGBKAYZJJXTOB-UHFFFAOYSA-N 2 0 218.304 1.321 20 30 BDEDRP C[C@@H](CCCC#N)[NH+]1CCC(C[NH3+])CC1 ZINC001246541413 972562977 /nfs/dbraw/zinc/56/29/77/972562977.db2.gz YPIOVPZYCWYAEJ-NSHDSACASA-N 2 0 209.337 1.739 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246545764 972658512 /nfs/dbraw/zinc/65/85/12/972658512.db2.gz DABJLLCTYJAQHZ-UPJWGTAASA-N 2 0 239.338 1.832 20 30 BDEDRP C[C@]1([NH3+])CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001246550419 972705926 /nfs/dbraw/zinc/70/59/26/972705926.db2.gz JNENWMBHFMQUFB-UPJWGTAASA-N 2 0 221.348 1.882 20 30 BDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246567432 972817140 /nfs/dbraw/zinc/81/71/40/972817140.db2.gz KUVKVLQHVPBKAF-YIYPIFLZSA-N 2 0 235.375 1.985 20 30 BDEDRP C#C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112087 974371139 /nfs/dbraw/zinc/37/11/39/974371139.db2.gz STXGJKCCSNUGDK-ZDEQEGDKSA-N 2 0 206.333 1.613 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[NH3+] ZINC001172294986 974565668 /nfs/dbraw/zinc/56/56/68/974565668.db2.gz ORLCFWCLTIKYIX-GFCCVEGCSA-N 2 0 231.343 1.818 20 30 BDEDRP C[C@@H](CCCC#N)NC(=[NH2+])SCC[NH3+] ZINC001172480575 974782246 /nfs/dbraw/zinc/78/22/46/974782246.db2.gz VRXIJGQYJOXBAH-QMMMGPOBSA-N 2 0 214.338 1.285 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172497894 974848119 /nfs/dbraw/zinc/84/81/19/974848119.db2.gz HIUKXLXPAMOIDI-BFHYXJOUSA-N 2 0 235.375 1.952 20 30 BDEDRP C=C[C@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC001334218105 976376800 /nfs/dbraw/zinc/37/68/00/976376800.db2.gz RIIXIVCEIZKNBK-GFCCVEGCSA-N 2 0 212.337 1.119 20 30 BDEDRP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2)C1 ZINC001337725912 978474039 /nfs/dbraw/zinc/47/40/39/978474039.db2.gz UCWRJTYTOPOXKG-CYBMUJFWSA-N 2 0 215.300 1.013 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCCC[NH+](C)C ZINC001252587956 983839872 /nfs/dbraw/zinc/83/98/72/983839872.db2.gz YZLYGDYUQWGHEA-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001252611344 983845796 /nfs/dbraw/zinc/84/57/96/983845796.db2.gz ATTGAZHRBNQMTF-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP C#CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275977987 984767908 /nfs/dbraw/zinc/76/79/08/984767908.db2.gz IFRCXVUVTVGZGC-GASCZTMLSA-N 2 0 249.402 1.110 20 30 BDEDRP C[N@H+](CCCCC(C)(C)C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578463343 985100881 /nfs/dbraw/zinc/10/08/81/985100881.db2.gz CUDDGHUGWFRWNU-ITGUQSILSA-N 2 0 235.375 1.856 20 30 BDEDRP N#CC1(C[NH2+]C2CC(CC[NH3+])C2)CCOCC1 ZINC001580038484 986445003 /nfs/dbraw/zinc/44/50/03/986445003.db2.gz NTVZSLBFKCREOC-UHFFFAOYSA-N 2 0 237.347 1.024 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC3(C[C@H]3[NH3+])C2)C1 ZINC001580056330 986489230 /nfs/dbraw/zinc/48/92/30/986489230.db2.gz PLXXWVVHUIHLMX-FYYRKSLSSA-N 2 0 205.305 1.148 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671664 986720441 /nfs/dbraw/zinc/72/04/41/986720441.db2.gz SQMGMLGRDGVWOS-WUHRBBMRSA-N 2 0 219.332 1.172 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245980344 987256038 /nfs/dbraw/zinc/25/60/38/987256038.db2.gz NSTCRYAQALOIPY-VXGBXAGGSA-N 2 0 224.348 1.045 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018331 987302323 /nfs/dbraw/zinc/30/23/23/987302323.db2.gz AVXRTLOKOOMUSP-KGLIPLIRSA-N 2 0 240.391 1.764 20 30 BDEDRP N#CC1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246080772 987378250 /nfs/dbraw/zinc/37/82/50/987378250.db2.gz SJZWKUPFSCHJJC-UHFFFAOYSA-N 2 0 207.321 1.410 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246136845 987492179 /nfs/dbraw/zinc/49/21/79/987492179.db2.gz YEZWTIDMTYJVFZ-CPCZMJQVSA-N 2 0 233.359 1.800 20 30 BDEDRP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C#N)cc2)CC[NH2+]1 ZINC001246195722 987590294 /nfs/dbraw/zinc/59/02/94/987590294.db2.gz BYGZCWJCUWKAHI-ZWNOBZJWSA-N 2 0 242.326 1.404 20 30 BDEDRP CC[C@@H]([NH3+])C[NH2+]C1CCC(CC#N)CC1 ZINC001246312048 987710730 /nfs/dbraw/zinc/71/07/30/987710730.db2.gz FBRBJZJSBINHRJ-MOENNCHZSA-N 2 0 209.337 1.786 20 30 BDEDRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246311452 987712437 /nfs/dbraw/zinc/71/24/37/987712437.db2.gz CUZIPSQWCSJIPS-BXUZGUMPSA-N 2 0 231.343 1.816 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246627552 988294603 /nfs/dbraw/zinc/29/46/03/988294603.db2.gz MZLFUEGNKHCQGW-QWRGUYRKSA-N 2 0 225.311 1.441 20 30 BDEDRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246830446 988523038 /nfs/dbraw/zinc/52/30/38/988523038.db2.gz HHTSILZTTMJTMW-JHJVBQTASA-N 2 0 221.348 1.753 20 30 BDEDRP C#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246837454 988538516 /nfs/dbraw/zinc/53/85/16/988538516.db2.gz UFRCBMAXSNIHFR-ICIURTGMSA-N 2 0 218.344 1.615 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC001258720314 991652333 /nfs/dbraw/zinc/65/23/33/991652333.db2.gz YNPVOQUBUNLNIC-CYBMUJFWSA-N 2 0 240.391 1.635 20 30 BDEDRP C#CCOCC[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001574735234 992896083 /nfs/dbraw/zinc/89/60/83/992896083.db2.gz CZFBJAPYSSZQFX-KBPBESRZSA-N 2 0 236.359 1.087 20 30 BDEDRP C=C(C)[C@H](CO)[NH2+][C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001574830768 992924764 /nfs/dbraw/zinc/92/47/64/992924764.db2.gz KOBPRFYYFILFKB-ZDEQEGDKSA-N 2 0 238.375 1.290 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]CCC1(C[NH3+])CC1 ZINC001575941151 993133843 /nfs/dbraw/zinc/13/38/43/993133843.db2.gz KHWUJXUMDDWZSQ-NSHDSACASA-N 2 0 209.337 1.645 20 30 BDEDRP C=CCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC001308134483 995560396 /nfs/dbraw/zinc/56/03/96/995560396.db2.gz BMOUVWUCLQRSSJ-KGLIPLIRSA-N 2 0 240.391 1.730 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000424291568 398180677 /nfs/dbraw/zinc/18/06/77/398180677.db2.gz DQJJXTSGISDYNR-XUXIUFHCSA-N 2 0 238.375 1.650 20 30 BDEDRP C=CCSCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422943812 398160261 /nfs/dbraw/zinc/16/02/61/398160261.db2.gz KZXSMTONIHYIEU-VIFPVBQESA-N 2 0 200.351 1.103 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351952 398163922 /nfs/dbraw/zinc/16/39/22/398163922.db2.gz ZHHCYKRPVFBVEI-AWEZNQCLSA-N 2 0 247.342 1.141 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000602570400 349620689 /nfs/dbraw/zinc/62/06/89/349620689.db2.gz TYPIHGYBHFVLFE-YRGRVCCFSA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000602570398 349620825 /nfs/dbraw/zinc/62/08/25/349620825.db2.gz TYPIHGYBHFVLFE-DYEKYZERSA-N 2 0 235.375 1.999 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000381439957 539000652 /nfs/dbraw/zinc/00/06/52/539000652.db2.gz DTQRUWRAPFUQLQ-WCQYABFASA-N 2 0 226.364 1.243 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000381439958 539000653 /nfs/dbraw/zinc/00/06/53/539000653.db2.gz DTQRUWRAPFUQLQ-YPMHNXCESA-N 2 0 226.364 1.243 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000390506396 539022648 /nfs/dbraw/zinc/02/26/48/539022648.db2.gz XGTHOSONQLSAJN-YPMHNXCESA-N 2 0 224.348 1.261 20 30 BDEDRP C=CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380160098 344495594 /nfs/dbraw/zinc/49/55/94/344495594.db2.gz AZDSUXODDALDIB-BETUJISGSA-N 2 0 208.349 1.884 20 30 BDEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000574637905 344944377 /nfs/dbraw/zinc/94/43/77/344944377.db2.gz KZZQOQHBWUTYIW-LSDHHAIUSA-N 2 0 243.354 1.970 20 30 BDEDRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C#N)c1 ZINC000591570998 347675928 /nfs/dbraw/zinc/67/59/28/347675928.db2.gz RMTOCLIVHQLILN-QWRGUYRKSA-N 2 0 229.327 1.817 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470789 347789541 /nfs/dbraw/zinc/78/95/41/347789541.db2.gz HMIFOPVRNQEOTE-JHJVBQTASA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955712 348149086 /nfs/dbraw/zinc/14/90/86/348149086.db2.gz SPSNBFJGSGEZFO-DOMZBBRYSA-N 2 0 243.354 1.640 20 30 BDEDRP C[NH2+]CCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595894179 348390811 /nfs/dbraw/zinc/39/08/11/348390811.db2.gz VEUMQLRDQYJMHF-UHFFFAOYSA-N 2 0 231.343 1.642 20 30 BDEDRP CN(Cc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000595898515 348393898 /nfs/dbraw/zinc/39/38/98/348393898.db2.gz IZWALIQPZRTFQV-UHFFFAOYSA-N 2 0 217.316 1.727 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000596653276 348607020 /nfs/dbraw/zinc/60/70/20/348607020.db2.gz ZNOARMPOYRFINU-KBPBESRZSA-N 2 0 229.327 1.570 20 30 BDEDRP C=CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243658 323220003 /nfs/dbraw/zinc/22/00/03/323220003.db2.gz XAURROSNSZQKRO-AWEZNQCLSA-N 2 0 238.375 1.653 20 30 BDEDRP CC#CCN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336646821 350416103 /nfs/dbraw/zinc/41/61/03/350416103.db2.gz LCWLUPFKLVYQKP-STQMWFEESA-N 2 0 208.349 1.814 20 30 BDEDRP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336654272 191124040 /nfs/dbraw/zinc/12/40/40/191124040.db2.gz GNZJEQPRVOCEPG-AGIUHOORSA-N 2 0 223.364 1.997 20 30 BDEDRP C#C[C@@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000289513905 353630613 /nfs/dbraw/zinc/63/06/13/353630613.db2.gz OVUYAGZMVGGWJD-CYBMUJFWSA-N 2 0 243.354 1.657 20 30 BDEDRP C=CCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344024425 354085571 /nfs/dbraw/zinc/08/55/71/354085571.db2.gz IFWAUOZOIYQVQQ-UHFFFAOYSA-N 2 0 227.396 1.378 20 30 BDEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000335129198 354775687 /nfs/dbraw/zinc/77/56/87/354775687.db2.gz JGALHBPAGICAKT-CPCZMJQVSA-N 2 0 221.348 1.800 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329132620 355898558 /nfs/dbraw/zinc/89/85/58/355898558.db2.gz AUHBMAOZHMSQOL-JOYOIKCWSA-N 2 0 248.330 1.318 20 30 BDEDRP C=CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420302506 192207031 /nfs/dbraw/zinc/20/70/31/192207031.db2.gz MKNKWXBCRGXCJZ-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360253598 134199271 /nfs/dbraw/zinc/19/92/71/134199271.db2.gz JACSGJNFWYYFAO-UHFFFAOYSA-N 2 0 238.375 1.607 20 30 BDEDRP C=CCCC[C@H](C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000398193114 357859511 /nfs/dbraw/zinc/85/95/11/357859511.db2.gz SDYPKTSWMQEWGS-GXTWGEPZSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000305069534 134239639 /nfs/dbraw/zinc/23/96/39/134239639.db2.gz IXNVXLYSXTUDCI-UONOGXRCSA-N 2 0 240.391 1.587 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246410672 359079483 /nfs/dbraw/zinc/07/94/83/359079483.db2.gz MKVMGIKYMDQYPD-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246569189 359147546 /nfs/dbraw/zinc/14/75/46/359147546.db2.gz AMYRKPKAHHTFOF-STQMWFEESA-N 2 0 226.364 1.197 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000309498122 491150283 /nfs/dbraw/zinc/15/02/83/491150283.db2.gz ZAAZMFSGZQSIRB-QWHCGFSZSA-N 2 0 226.364 1.509 20 30 BDEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000079909568 370703495 /nfs/dbraw/zinc/70/34/95/370703495.db2.gz MWRDUAWHYGLODF-KCPJHIHWSA-N 2 0 241.338 1.770 20 30 BDEDRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(C#N)c1 ZINC000600711088 369561074 /nfs/dbraw/zinc/56/10/74/369561074.db2.gz QVVBNFYHAHWMNX-LBPRGKRZSA-N 2 0 247.342 1.574 20 30 BDEDRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600769096 369561566 /nfs/dbraw/zinc/56/15/66/369561566.db2.gz NUWAOHUMWUQWOJ-GHMZBOCLSA-N 2 0 233.315 1.710 20 30 BDEDRP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601327588 369621920 /nfs/dbraw/zinc/62/19/20/369621920.db2.gz WYWFWZKCBLFKIW-SWLSCSKDSA-N 2 0 243.354 1.627 20 30 BDEDRP C=CCC[C@@H](CCC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334598 371485438 /nfs/dbraw/zinc/48/54/38/371485438.db2.gz CZVACYIMSBNLHX-KGLIPLIRSA-N 2 0 240.391 1.778 20 30 BDEDRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424328772 206037530 /nfs/dbraw/zinc/03/75/30/206037530.db2.gz ONBZZLJUEVUHHJ-XJFOESAGSA-N 2 0 235.375 1.999 20 30 BDEDRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424381646 206037970 /nfs/dbraw/zinc/03/79/70/206037970.db2.gz ZCTZYOYZSTUYOG-TUAOUCFPSA-N 2 0 225.336 1.022 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000424379801 206040042 /nfs/dbraw/zinc/04/00/42/206040042.db2.gz PBQOKPOQUYOUQT-WOPDTQHZSA-N 2 0 212.337 1.295 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222308119 134331841 /nfs/dbraw/zinc/33/18/41/134331841.db2.gz BMHMDDMHWKQFIA-QWHCGFSZSA-N 2 0 226.364 1.509 20 30 BDEDRP C=C(C)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713958 384354865 /nfs/dbraw/zinc/35/48/65/384354865.db2.gz DLVCWRMNQDQKDC-UHFFFAOYSA-N 2 0 225.380 1.132 20 30 BDEDRP C#CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000363480594 384551806 /nfs/dbraw/zinc/55/18/06/384551806.db2.gz OAHLDSRFSRZMAQ-CYBMUJFWSA-N 2 0 206.333 1.427 20 30 BDEDRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000044535421 384659073 /nfs/dbraw/zinc/65/90/73/384659073.db2.gz BKSXBFWJRRWNNX-HNNXBMFYSA-N 2 0 243.354 1.990 20 30 BDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170905400 385454739 /nfs/dbraw/zinc/45/47/39/385454739.db2.gz NLHVNYAUWQIVBH-LLVKDONJSA-N 2 0 247.346 1.150 20 30 BDEDRP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H]2CCC[C@H]21 ZINC000309597401 385725606 /nfs/dbraw/zinc/72/56/06/385725606.db2.gz WPJISQLDHCPSNC-RWMBFGLXSA-N 2 0 221.348 1.753 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335502717 386633132 /nfs/dbraw/zinc/63/31/32/386633132.db2.gz WXWUOIJBALZBPC-XVSSEFHLSA-N 2 0 221.348 1.928 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520428697 386672562 /nfs/dbraw/zinc/67/25/62/386672562.db2.gz ZUPNRLXVRMCWPK-QWRGUYRKSA-N 2 0 207.321 1.540 20 30 BDEDRP C=CC[N@@H+](CCCc1cncn1C)CCOC ZINC000516487955 387510697 /nfs/dbraw/zinc/51/06/97/387510697.db2.gz GEFMWNOSIZSCQR-UHFFFAOYSA-N 2 0 237.347 1.487 20 30 BDEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422863845 387747564 /nfs/dbraw/zinc/74/75/64/387747564.db2.gz SLIAXMVWFVFGHE-TZMCWYRMSA-N 2 0 237.391 1.354 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422856525 387742140 /nfs/dbraw/zinc/74/21/40/387742140.db2.gz FOQMALBBNISXPK-JSGCOSHPSA-N 2 0 237.391 1.224 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423017665 387842084 /nfs/dbraw/zinc/84/20/84/387842084.db2.gz PGFJHSJKJBVJLK-NWDGAFQWSA-N 2 0 214.353 1.278 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423026550 387844201 /nfs/dbraw/zinc/84/42/01/387844201.db2.gz BMIUMXXCXJMQOL-UPJWGTAASA-N 2 0 221.348 1.800 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000328119347 387878405 /nfs/dbraw/zinc/87/84/05/387878405.db2.gz QIXKCFUFGIPKGN-KBPBESRZSA-N 2 0 249.402 1.156 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000328119350 387878460 /nfs/dbraw/zinc/87/84/60/387878460.db2.gz QIXKCFUFGIPKGN-ZIAGYGMSSA-N 2 0 249.402 1.156 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423092325 387883083 /nfs/dbraw/zinc/88/30/83/387883083.db2.gz BJFZLHZFUHJIQP-NEPJUHHUSA-N 2 0 221.348 1.930 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157910014 387883444 /nfs/dbraw/zinc/88/34/44/387883444.db2.gz GNWNTJWYAVOPLN-NEPJUHHUSA-N 2 0 207.321 1.507 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423095472 387885777 /nfs/dbraw/zinc/88/57/77/387885777.db2.gz MLXBSZJNAJFTCO-NDBYEHHHSA-N 2 0 224.348 1.437 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423098550 387886945 /nfs/dbraw/zinc/88/69/45/387886945.db2.gz SEFGVMLXGPXLJM-XQHKEYJVSA-N 2 0 226.364 1.683 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423155731 387935245 /nfs/dbraw/zinc/93/52/45/387935245.db2.gz LNUCFWPPIVVXJT-QJPTWQEYSA-N 2 0 212.337 1.295 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCN1C ZINC000424319599 387970287 /nfs/dbraw/zinc/97/02/87/387970287.db2.gz FFGWMNFMJTXGCY-XQHKEYJVSA-N 2 0 221.348 1.751 20 30 BDEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447603812 388082126 /nfs/dbraw/zinc/08/21/26/388082126.db2.gz XURAQIBZOXFDBS-QWHCGFSZSA-N 2 0 239.363 1.237 20 30 BDEDRP C=CC[C@H](CC)[NH2+][C@H](CCC[NH3+])COC ZINC000393773157 388442193 /nfs/dbraw/zinc/44/21/93/388442193.db2.gz KRGFNJPUHOSLED-NWDGAFQWSA-N 2 0 214.353 1.685 20 30 BDEDRP C=CC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192832120 388686247 /nfs/dbraw/zinc/68/62/47/388686247.db2.gz OFZHFDNUXHAUDO-UHFFFAOYSA-N 2 0 239.407 1.520 20 30 BDEDRP C=C(C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335665331 533513285 /nfs/dbraw/zinc/51/32/85/533513285.db2.gz AVJYSJMPYDCCCX-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000331616329 134001091 /nfs/dbraw/zinc/00/10/91/134001091.db2.gz DSTTYLVEQSCFEX-QNWHQSFQSA-N 2 0 221.348 1.928 20 30 BDEDRP N#Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261555685 135194949 /nfs/dbraw/zinc/19/49/49/135194949.db2.gz BQNHCWDGNGSEDB-LSDHHAIUSA-N 2 0 241.338 1.600 20 30 BDEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NC1CC1 ZINC000262708396 135314800 /nfs/dbraw/zinc/31/48/00/135314800.db2.gz BZIFIWLZRVXEOW-LBPRGKRZSA-N 2 0 236.363 1.070 20 30 BDEDRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000335551271 136097978 /nfs/dbraw/zinc/09/79/78/136097978.db2.gz DHFRKEMUNMDEIP-LLVKDONJSA-N 2 0 229.327 1.961 20 30 BDEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000651959238 409730080 /nfs/dbraw/zinc/73/00/80/409730080.db2.gz FFQSXJQZNVRWGG-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345570 411209160 /nfs/dbraw/zinc/20/91/60/411209160.db2.gz GBHPYJUEAVGVKT-XQQFMLRXSA-N 2 0 224.348 1.391 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657659216 411572537 /nfs/dbraw/zinc/57/25/37/411572537.db2.gz RMQVGXOJFXASKO-UONOGXRCSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CC[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662299911 412086383 /nfs/dbraw/zinc/08/63/83/412086383.db2.gz ZKVUIXSCRAMSER-QWHCGFSZSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665263376 412205945 /nfs/dbraw/zinc/20/59/45/412205945.db2.gz LMASVDBTUHDFMT-NWDGAFQWSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678774690 487641597 /nfs/dbraw/zinc/64/15/97/487641597.db2.gz CBVJSJJUKQZDKJ-OLZOCXBDSA-N 2 0 240.391 1.491 20 30 BDEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683227278 488134140 /nfs/dbraw/zinc/13/41/40/488134140.db2.gz XAZMJWUPDWDWPW-STQMWFEESA-N 2 0 226.364 1.340 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000261878741 534845227 /nfs/dbraw/zinc/84/52/27/534845227.db2.gz QOAIMAAVWVCRND-NWDGAFQWSA-N 2 0 238.379 1.340 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC[C@@H]1C ZINC000262632619 535548578 /nfs/dbraw/zinc/54/85/78/535548578.db2.gz GAPZMJGOIJXACE-QJPTWQEYSA-N 2 0 238.379 1.174 20 30 BDEDRP C(=NNc1ccncc1)c1cnc2n1CCC2 ZINC000853330281 588733544 /nfs/dbraw/zinc/73/35/44/588733544.db2.gz LSQYUZMUSPUSDJ-UHFFFAOYSA-N 2 0 227.271 1.092 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NC(C)(C)C ZINC000104191481 583162650 /nfs/dbraw/zinc/16/26/50/583162650.db2.gz JMCBBXAYTITAQP-SNVBAGLBSA-N 2 0 228.384 1.420 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203306818 583967084 /nfs/dbraw/zinc/96/70/84/583967084.db2.gz MFBQSOWISULKPZ-NSHDSACASA-N 2 0 238.379 1.175 20 30 BDEDRP C[C@@H](NCC1([NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000902414543 584600206 /nfs/dbraw/zinc/60/02/06/584600206.db2.gz WYVALRPHGXWTTB-LLVKDONJSA-N 2 0 245.326 1.731 20 30 BDEDRP N#CC1CCC(C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000903447243 584770546 /nfs/dbraw/zinc/77/05/46/584770546.db2.gz KWXZPOFDSKZLRW-UHFFFAOYSA-N 2 0 221.348 1.787 20 30 BDEDRP N#C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000903564471 584782343 /nfs/dbraw/zinc/78/23/43/584782343.db2.gz WLJDKDQYDZHWOK-LBPRGKRZSA-N 2 0 209.337 1.741 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC000903978782 584832916 /nfs/dbraw/zinc/83/29/16/584832916.db2.gz MGHWSWSCOJIWMC-IUODEOHRSA-N 2 0 243.354 1.893 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903988488 584836029 /nfs/dbraw/zinc/83/60/29/584836029.db2.gz SWSDYLDFCCZNQL-FUDCBSFHSA-N 2 0 233.359 1.753 20 30 BDEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000848981647 588423621 /nfs/dbraw/zinc/42/36/21/588423621.db2.gz JVSKLXVRLGRKBI-UHFFFAOYSA-N 2 0 238.379 1.551 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000848995254 588428736 /nfs/dbraw/zinc/42/87/36/588428736.db2.gz MGNSOEDNJYYZCZ-LBPRGKRZSA-N 2 0 238.379 1.408 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000848995253 588428759 /nfs/dbraw/zinc/42/87/59/588428759.db2.gz MGNSOEDNJYYZCZ-GFCCVEGCSA-N 2 0 238.379 1.408 20 30 BDEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NC1CC1 ZINC000848998595 588430069 /nfs/dbraw/zinc/43/00/69/588430069.db2.gz XREVMZCMFPHOGH-UHFFFAOYSA-N 2 0 238.379 1.046 20 30 BDEDRP C=C(CC)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849038193 588446396 /nfs/dbraw/zinc/44/63/96/588446396.db2.gz KTBHMKUTCLGEDO-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP C[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000873219651 589998750 /nfs/dbraw/zinc/99/87/50/589998750.db2.gz CGQTXIPTCSIWEM-SNVBAGLBSA-N 2 0 233.315 1.629 20 30 BDEDRP C[C@H]([NH2+]Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000873219650 589998827 /nfs/dbraw/zinc/99/88/27/589998827.db2.gz CGQTXIPTCSIWEM-JTQLQIEISA-N 2 0 233.315 1.629 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000878109236 590495880 /nfs/dbraw/zinc/49/58/80/590495880.db2.gz OAORWQATLLKVJK-CYBMUJFWSA-N 2 0 240.391 1.730 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879575873 590812722 /nfs/dbraw/zinc/81/27/22/590812722.db2.gz NRDOSJMWHSNECU-HZSPNIEDSA-N 2 0 238.375 1.340 20 30 BDEDRP C#CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261542 590979975 /nfs/dbraw/zinc/97/99/75/590979975.db2.gz WDKDTMQKTKDPCQ-ZDUSSCGKSA-N 2 0 229.327 1.615 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129981213 591426823 /nfs/dbraw/zinc/42/68/23/591426823.db2.gz BNBNARCWVHBWFK-CHWSQXEVSA-N 2 0 238.400 1.569 20 30 BDEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000104168245 592602770 /nfs/dbraw/zinc/60/27/70/592602770.db2.gz TZSCBJZAAWKFRN-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP CNC(NCC(C)(C)[NH+]1CCCCC1)=[NH+]C ZINC000161471332 632045365 /nfs/dbraw/zinc/04/53/65/632045365.db2.gz OUFWMENXNNKEPF-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CCC[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000162481430 636034137 /nfs/dbraw/zinc/03/41/37/636034137.db2.gz VNRJNYTWFFWIBC-OAHLLOKOSA-N 2 0 249.402 1.112 20 30 BDEDRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000925682475 634283510 /nfs/dbraw/zinc/28/35/10/634283510.db2.gz XWZDAHSYEVMTMH-SRVKXCTJSA-N 2 0 221.348 1.799 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC(C)(C)C#N)CC1 ZINC000129213000 639049793 /nfs/dbraw/zinc/04/97/93/639049793.db2.gz AYEDUNDQZBCSGL-UHFFFAOYSA-N 2 0 209.337 1.468 20 30 BDEDRP CC#CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311779 640147661 /nfs/dbraw/zinc/14/76/61/640147661.db2.gz SUUPZKUINNGBKW-BETUJISGSA-N 2 0 206.333 1.283 20 30 BDEDRP CCCCCCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907766 640936393 /nfs/dbraw/zinc/93/63/93/640936393.db2.gz SLNKYGTUDZARLJ-UHFFFAOYSA-N 2 0 240.395 1.567 20 30 BDEDRP C[C@@H](CC#N)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120813 641135506 /nfs/dbraw/zinc/13/55/06/641135506.db2.gz CHQBAGDLEWQSFG-NSHDSACASA-N 2 0 209.337 1.562 20 30 BDEDRP C=CCCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000231801054 641205499 /nfs/dbraw/zinc/20/54/99/641205499.db2.gz MQNHRHAYXXHGEW-UHFFFAOYSA-N 2 0 226.364 1.511 20 30 BDEDRP C#CCSCC[NH2+]CC1CC[NH+](C)CC1 ZINC000231936819 641217156 /nfs/dbraw/zinc/21/71/56/641217156.db2.gz JDXRXFXFOJDAND-UHFFFAOYSA-N 2 0 226.389 1.284 20 30 BDEDRP C[NH+](C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000305084590 642640490 /nfs/dbraw/zinc/64/04/90/642640490.db2.gz UJNBLGSTWVLHQG-UHFFFAOYSA-N 2 0 226.368 1.129 20 30 BDEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCCC1 ZINC000305835559 642704896 /nfs/dbraw/zinc/70/48/96/642704896.db2.gz WLWSRIRUQIDEKK-LLVKDONJSA-N 2 0 238.379 1.127 20 30 BDEDRP CN(C(=[NH2+])NCC[NH+]1CCCCCC1)C1CC1 ZINC000305839773 642705296 /nfs/dbraw/zinc/70/52/96/642705296.db2.gz YPGZOEAKRQPPBU-UHFFFAOYSA-N 2 0 238.379 1.271 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923288470 644324403 /nfs/dbraw/zinc/32/44/03/644324403.db2.gz KAKNRVCMJVJVHI-XQQFMLRXSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923288469 644324479 /nfs/dbraw/zinc/32/44/79/644324479.db2.gz KAKNRVCMJVJVHI-UPJWGTAASA-N 2 0 226.364 1.373 20 30 BDEDRP N#Cc1ccc([C@@H](O)CNCC2([NH3+])CCC2)cc1 ZINC000923333061 644353964 /nfs/dbraw/zinc/35/39/64/644353964.db2.gz OMGSGMAPEBCDOH-ZDUSSCGKSA-N 2 0 245.326 1.063 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923371509 644382820 /nfs/dbraw/zinc/38/28/20/644382820.db2.gz XRPBMBJWRKKAEZ-VXGBXAGGSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923430643 644424117 /nfs/dbraw/zinc/42/41/17/644424117.db2.gz JBSFULQNNORCMM-JHJVBQTASA-N 2 0 226.364 1.230 20 30 BDEDRP C=C(Cl)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451655 644439556 /nfs/dbraw/zinc/43/95/56/644439556.db2.gz MWTTZIYXYDJFBH-NSHDSACASA-N 2 0 244.766 1.569 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492938 644467202 /nfs/dbraw/zinc/46/72/02/644467202.db2.gz ZPQKZWGJDDYHHH-CHWSQXEVSA-N 2 0 243.354 1.975 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923497988 644472465 /nfs/dbraw/zinc/47/24/65/644472465.db2.gz HEQNQZLPFSAJKB-SWLSCSKDSA-N 2 0 243.354 1.975 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303259965 644814177 /nfs/dbraw/zinc/81/41/77/644814177.db2.gz MMNMETBRFPCHII-GHMZBOCLSA-N 2 0 240.395 1.277 20 30 BDEDRP CCCCNC(=[NH2+])NCCC[NH+](CC)CC ZINC000303717043 644840076 /nfs/dbraw/zinc/84/00/76/644840076.db2.gz TURJIPYVFOSHRP-UHFFFAOYSA-N 2 0 228.384 1.423 20 30 BDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303893676 644854516 /nfs/dbraw/zinc/85/45/16/644854516.db2.gz OIOAAPGEWZFESX-GFCCVEGCSA-N 2 0 240.395 1.279 20 30 BDEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303895904 644856566 /nfs/dbraw/zinc/85/65/66/644856566.db2.gz PSLOUUKPEGFLTF-LBPRGKRZSA-N 2 0 240.395 1.423 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303974617 644861569 /nfs/dbraw/zinc/86/15/69/644861569.db2.gz ICLUJRMBSYQKEQ-NSHDSACASA-N 2 0 240.395 1.420 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NCCC(C)C)C(C)C ZINC000303977763 644862527 /nfs/dbraw/zinc/86/25/27/644862527.db2.gz LRFCDTHRMBGXOX-UHFFFAOYSA-N 2 0 242.411 1.667 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303988941 644863203 /nfs/dbraw/zinc/86/32/03/644863203.db2.gz XACGSSDLFAKGMN-JTQLQIEISA-N 2 0 226.368 1.174 20 30 BDEDRP CCC[N@H+](CC)CCNC(NCC)=[NH+]CC ZINC000304481878 644910212 /nfs/dbraw/zinc/91/02/12/644910212.db2.gz KCJFJFDBDLUYAC-UHFFFAOYSA-N 2 0 228.384 1.293 20 30 BDEDRP C#Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000846059632 645397917 /nfs/dbraw/zinc/39/79/17/645397917.db2.gz FRKHPDLDXBCVHM-ZDUSSCGKSA-N 2 0 230.355 1.955 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925609267 646358098 /nfs/dbraw/zinc/35/80/98/646358098.db2.gz ROSQEGUDKUPTOC-GHMZBOCLSA-N 2 0 207.321 1.540 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925609534 646360734 /nfs/dbraw/zinc/36/07/34/646360734.db2.gz VRKWEYOAKPEQBS-NSHDSACASA-N 2 0 207.321 1.554 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925770203 646471715 /nfs/dbraw/zinc/47/17/15/646471715.db2.gz HTQYJNOUFPDOSK-HBNTYKKESA-N 2 0 200.326 1.029 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000925782968 646478550 /nfs/dbraw/zinc/47/85/50/646478550.db2.gz BNHNSGHHHOKBKE-KBHBFKLGSA-N 2 0 235.375 1.904 20 30 BDEDRP C=CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382072585 710774157 /nfs/dbraw/zinc/77/41/57/710774157.db2.gz SLSPEZMPKDQZAE-MEBFFEOJSA-N 2 0 220.360 1.929 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723713666 711535515 /nfs/dbraw/zinc/53/55/15/711535515.db2.gz XFHMVTDXGPOSMO-CQSZACIVSA-N 2 0 229.327 1.729 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000104191613 711575208 /nfs/dbraw/zinc/57/52/08/711575208.db2.gz NUVNDONYTIBKPR-UHFFFAOYSA-N 2 0 226.368 1.175 20 30 BDEDRP C#CCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000160872009 711809924 /nfs/dbraw/zinc/80/99/24/711809924.db2.gz CLICQGVDKRWKAL-UHFFFAOYSA-N 2 0 208.349 1.864 20 30 BDEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000717726543 712667687 /nfs/dbraw/zinc/66/76/87/712667687.db2.gz CKJZOCLFAWDXDP-CQSZACIVSA-N 2 0 238.375 1.225 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252615647 968875040 /nfs/dbraw/zinc/87/50/40/968875040.db2.gz BWYUOJBQAUDMNL-LBPRGKRZSA-N 2 0 228.380 1.491 20 30 BDEDRP C[NH+](C)CCC[N@H+](C)C1CCC(C#N)CC1 ZINC001256965297 971027446 /nfs/dbraw/zinc/02/74/46/971027446.db2.gz PWQQTEUHHCQNPR-UHFFFAOYSA-N 2 0 223.364 1.952 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217833276 971427279 /nfs/dbraw/zinc/42/72/79/971427279.db2.gz UCKBSRALSIDHEX-KGLIPLIRSA-N 2 0 238.375 1.701 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218203121 971626227 /nfs/dbraw/zinc/62/62/27/971626227.db2.gz CFCCYAFIOPRRJC-HNNXBMFYSA-N 2 0 244.338 1.629 20 30 BDEDRP C=C(C)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170897270 972056430 /nfs/dbraw/zinc/05/64/30/972056430.db2.gz LFPXLBYBKHZAKQ-LLVKDONJSA-N 2 0 220.320 1.550 20 30 BDEDRP N#Cc1ccc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170905151 972081752 /nfs/dbraw/zinc/08/17/52/972081752.db2.gz SXKYBMHKJCIUGK-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545656 967691404 /nfs/dbraw/zinc/69/14/04/967691404.db2.gz LFDIDLUQYKCDKS-LBPRGKRZSA-N 2 0 212.312 1.553 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@](C)(C[NH3+])CC1 ZINC001206296074 968203662 /nfs/dbraw/zinc/20/36/62/968203662.db2.gz PFIZENOACCBAFU-ZDUSSCGKSA-N 2 0 225.380 1.213 20 30 BDEDRP C[C@]1(C[NH3+])CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001206318475 968226229 /nfs/dbraw/zinc/22/62/29/968226229.db2.gz QASYPOQVFWROGS-AWEZNQCLSA-N 2 0 246.358 1.837 20 30 BDEDRP Cn1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1C#N ZINC001206615504 968420261 /nfs/dbraw/zinc/42/02/61/968420261.db2.gz GKSSXVMHVVFWGP-GFCCVEGCSA-N 2 0 246.358 1.458 20 30 BDEDRP N#C[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC001207439654 968776390 /nfs/dbraw/zinc/77/63/90/968776390.db2.gz XPTMTNRSZSCFCL-LBPRGKRZSA-N 2 0 207.321 1.364 20 30 BDEDRP C[NH+]1CCC(CC[NH+]2CCC(C#N)CC2)CC1 ZINC001207479045 968795284 /nfs/dbraw/zinc/79/52/84/968795284.db2.gz BQEBKEFAZDZOFC-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCC[NH+](C)C ZINC000829178379 968826427 /nfs/dbraw/zinc/82/64/27/968826427.db2.gz DVHOSHICEQVHFY-LLVKDONJSA-N 2 0 211.353 1.856 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252578962 968830538 /nfs/dbraw/zinc/83/05/38/968830538.db2.gz IKAUAGVQUIPZOD-CQSZACIVSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001252614904 968872959 /nfs/dbraw/zinc/87/29/59/968872959.db2.gz RJVKYZZFVIWSIN-AWEZNQCLSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001253588532 969277754 /nfs/dbraw/zinc/27/77/54/969277754.db2.gz XBINYCQXIXHGAC-CYBMUJFWSA-N 2 0 247.342 1.059 20 30 BDEDRP C=C[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001253597705 969288921 /nfs/dbraw/zinc/28/89/21/969288921.db2.gz IIHSOZYSPKWQOE-AWEZNQCLSA-N 2 0 234.343 1.385 20 30 BDEDRP C=CCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001209204384 969392823 /nfs/dbraw/zinc/39/28/23/969392823.db2.gz CXWOVACVUXLRQN-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP C[C@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012311 969695141 /nfs/dbraw/zinc/69/51/41/969695141.db2.gz KFFFYYKJUROQHL-RYUDHWBXSA-N 2 0 246.358 1.693 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254644232 969759440 /nfs/dbraw/zinc/75/94/40/969759440.db2.gz WBRJIOZGMZGPIW-FRRDWIJNSA-N 2 0 221.348 1.753 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171191840 972837738 /nfs/dbraw/zinc/83/77/38/972837738.db2.gz GQDARHIMQWBZQA-RYUDHWBXSA-N 2 0 231.343 1.674 20 30 BDEDRP COc1cc(CN2CC[C@@H](C[NH3+])C2)ccc1C#N ZINC000234996319 973795450 /nfs/dbraw/zinc/79/54/50/973795450.db2.gz GESPZJPJETYLHH-LBPRGKRZSA-N 2 0 245.326 1.347 20 30 BDEDRP C#CCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172246867 974512422 /nfs/dbraw/zinc/51/24/22/974512422.db2.gz XZVFCXMAKBGJBM-UHFFFAOYSA-N 2 0 224.348 1.100 20 30 BDEDRP C=CCOC1CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001173318064 975308314 /nfs/dbraw/zinc/30/83/14/975308314.db2.gz OSXBMSNITXWWTR-UHFFFAOYSA-N 2 0 224.348 1.580 20 30 BDEDRP C[C@H](C[NH3+])C[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173590476 975438408 /nfs/dbraw/zinc/43/84/08/975438408.db2.gz JZJMOXWMASCISF-PNESKVBLSA-N 2 0 223.364 1.985 20 30 BDEDRP CCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206454444 979130938 /nfs/dbraw/zinc/13/09/38/979130938.db2.gz DZZFHSQGXHQUNX-QWHCGFSZSA-N 2 0 228.380 1.598 20 30 BDEDRP N#CCc1ccccc1CN1CCC[C@@H]1C[NH3+] ZINC001236251461 979470586 /nfs/dbraw/zinc/47/05/86/979470586.db2.gz UQBOCIPXYCXLJD-CQSZACIVSA-N 2 0 229.327 1.676 20 30 BDEDRP C=CC[NH2+]CCN(CCC)C[C@@H]1CC[NH2+]C1 ZINC001236831300 979749490 /nfs/dbraw/zinc/74/94/90/979749490.db2.gz PXKNGBXFWIDCPW-CYBMUJFWSA-N 2 0 225.380 1.084 20 30 BDEDRP C#CCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237384824 979882516 /nfs/dbraw/zinc/88/25/16/979882516.db2.gz YVKOWKCKWARSMD-QWHCGFSZSA-N 2 0 206.333 1.474 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CCC[NH+](C)C ZINC001345404693 980606013 /nfs/dbraw/zinc/60/60/13/980606013.db2.gz DZUHTOWZMUYKDU-GFCCVEGCSA-N 2 0 241.379 1.080 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CCC[NH+](C)C ZINC001345404694 980606126 /nfs/dbraw/zinc/60/61/26/980606126.db2.gz DZUHTOWZMUYKDU-LBPRGKRZSA-N 2 0 241.379 1.080 20 30 BDEDRP C[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205638062 981374768 /nfs/dbraw/zinc/37/47/68/981374768.db2.gz KVNFMZUYSTVTAH-VXGBXAGGSA-N 2 0 246.358 1.693 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001252619496 983855009 /nfs/dbraw/zinc/85/50/09/983855009.db2.gz MEYXGYOZAKHCLG-UONOGXRCSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC)C1 ZINC001326940109 984829758 /nfs/dbraw/zinc/82/97/58/984829758.db2.gz ADLLBKZUUFHLJJ-LLVKDONJSA-N 2 0 224.352 1.018 20 30 BDEDRP CC(C)[NH+]1CCC([NH2+]CCCS)CC1 ZINC001257209842 984853062 /nfs/dbraw/zinc/85/30/62/984853062.db2.gz ACSWXOHOGSYUTH-UHFFFAOYSA-N 2 0 216.394 1.769 20 30 BDEDRP C=CCC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001258718156 986043566 /nfs/dbraw/zinc/04/35/66/986043566.db2.gz IFZQYYWXXPTOFN-MRVPVSSYSA-N 2 0 201.339 1.557 20 30 BDEDRP N#CC1CC[NH+](CCC2([NH3+])CCOCC2)CC1 ZINC001580042108 986461831 /nfs/dbraw/zinc/46/18/31/986461831.db2.gz NMUASFQNOIJUNS-UHFFFAOYSA-N 2 0 237.347 1.120 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246019464 987305327 /nfs/dbraw/zinc/30/53/27/987305327.db2.gz FKOUWPFWEXXWRQ-KBPBESRZSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019742 987307330 /nfs/dbraw/zinc/30/73/30/987307330.db2.gz JSEDGZWHFCRQGV-QWHCGFSZSA-N 2 0 226.364 1.517 20 30 BDEDRP C#CC(CC)(CC)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246070506 987355764 /nfs/dbraw/zinc/35/57/64/987355764.db2.gz BXYJVVRIQWGEQA-RYUDHWBXSA-N 2 0 208.349 1.909 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246087749 987390118 /nfs/dbraw/zinc/39/01/18/987390118.db2.gz YSCVNWQMMWGXQQ-WDEREUQCSA-N 2 0 207.321 1.540 20 30 BDEDRP N#Cc1ccc(C(=[NH2+])NC2CC[NH2+]CC2)cc1 ZINC001246196064 987592590 /nfs/dbraw/zinc/59/25/90/987592590.db2.gz DVVMYSPOQGJDHR-UHFFFAOYSA-N 2 0 228.299 1.016 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC[C@H](C)[NH3+] ZINC001246303297 987702209 /nfs/dbraw/zinc/70/22/09/987702209.db2.gz GOPNQWVPQRGKRI-NWDGAFQWSA-N 2 0 231.343 1.816 20 30 BDEDRP N#Cc1ccccc1OCC[NH2+]C1CC[NH2+]CC1 ZINC001246329491 987734320 /nfs/dbraw/zinc/73/43/20/987734320.db2.gz PCSOYSVUOVOUSZ-UHFFFAOYSA-N 2 0 245.326 1.279 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1 ZINC001246553273 987950036 /nfs/dbraw/zinc/95/00/36/987950036.db2.gz XXHUUJOWTOHVRT-NEPJUHHUSA-N 2 0 207.321 1.349 20 30 BDEDRP CCCCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579698 988103797 /nfs/dbraw/zinc/10/37/97/988103797.db2.gz GMWGAQMFZOIAKK-RDBSUJKOSA-N 2 0 242.407 1.987 20 30 BDEDRP C[C@H]1C[C@H]([NH+]2CCC(C)(C#N)CC2)CC[NH2+]1 ZINC001246846337 988556748 /nfs/dbraw/zinc/55/67/48/988556748.db2.gz GEHKHNAGGPILAX-NWDGAFQWSA-N 2 0 221.348 1.753 20 30 BDEDRP C#CC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001262112851 992665801 /nfs/dbraw/zinc/66/58/01/992665801.db2.gz VEUXCLBNZVYCDI-ZDUSSCGKSA-N 2 0 238.375 1.223 20 30 BDEDRP C#CC[N@@H+](CC1CC(C)C1)C1CC[NH2+]CC1 ZINC001574666902 992887357 /nfs/dbraw/zinc/88/73/57/992887357.db2.gz JIBSKSFFHPHVCU-UHFFFAOYSA-N 2 0 220.360 1.720 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC001574960708 992951281 /nfs/dbraw/zinc/95/12/81/992951281.db2.gz UEQNYGRYGANUOY-YFKTTZPYSA-N 2 0 224.348 1.293 20 30 BDEDRP C=CCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC001308134481 995562401 /nfs/dbraw/zinc/56/24/01/995562401.db2.gz BMOUVWUCLQRSSJ-KBPBESRZSA-N 2 0 240.391 1.730 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000576283624 365550842 /nfs/dbraw/zinc/55/08/42/365550842.db2.gz WNGFHTQYFZGKJT-GXTWGEPZSA-N 2 0 229.327 1.775 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000602570399 349620987 /nfs/dbraw/zinc/62/09/87/349620987.db2.gz TYPIHGYBHFVLFE-MBNYWOFBSA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000602670616 349665908 /nfs/dbraw/zinc/66/59/08/349665908.db2.gz AFESIRMOVIFWDN-UONOGXRCSA-N 2 0 235.375 1.954 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602708244 349701577 /nfs/dbraw/zinc/70/15/77/349701577.db2.gz XPIYCRLDCUXWNV-LCKMOKORSA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000602703823 349698180 /nfs/dbraw/zinc/69/81/80/349698180.db2.gz CKUQQBXXHLPCNX-UPJWGTAASA-N 2 0 223.364 1.856 20 30 BDEDRP C[N@H+](CCCn1ccnc1)CC1(CC#N)CC1 ZINC000602798682 349739591 /nfs/dbraw/zinc/73/95/91/349739591.db2.gz NTBKBGARATYLAR-UHFFFAOYSA-N 2 0 232.331 1.899 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000168600225 343210619 /nfs/dbraw/zinc/21/06/19/343210619.db2.gz CRKCFUCQRRVOMV-NWDGAFQWSA-N 2 0 212.337 1.439 20 30 BDEDRP C[C@H]1C[C@H]([N@H+](C)CCOCCC#N)CCN1C ZINC000339010359 136279914 /nfs/dbraw/zinc/27/99/14/136279914.db2.gz LYQQVMQHWCSFIB-QWHCGFSZSA-N 2 0 239.363 1.331 20 30 BDEDRP C=CCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232573777 537801743 /nfs/dbraw/zinc/80/17/43/537801743.db2.gz OJFKQDBKHBTBPG-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000129346308 344213010 /nfs/dbraw/zinc/21/30/10/344213010.db2.gz WVFKNJNGFQMWOL-NEPJUHHUSA-N 2 0 228.405 1.835 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000600708253 344361015 /nfs/dbraw/zinc/36/10/15/344361015.db2.gz KWNSXNRPSKKKAU-NWDGAFQWSA-N 2 0 237.347 1.166 20 30 BDEDRP CC(C)(C#N)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085283223 344516492 /nfs/dbraw/zinc/51/64/92/344516492.db2.gz WAKKGEINQZJRQV-QWRGUYRKSA-N 2 0 207.321 1.077 20 30 BDEDRP C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CC[NH+](C)CC1 ZINC000591739601 347694489 /nfs/dbraw/zinc/69/44/89/347694489.db2.gz NGUJQLWOBZQFCX-STQMWFEESA-N 2 0 248.374 1.750 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000592439033 347779094 /nfs/dbraw/zinc/77/90/94/347779094.db2.gz YCUGLQYUJYFUNP-PEBLQZBPSA-N 2 0 233.359 1.656 20 30 BDEDRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955713 348149040 /nfs/dbraw/zinc/14/90/40/348149040.db2.gz SPSNBFJGSGEZFO-IUODEOHRSA-N 2 0 243.354 1.640 20 30 BDEDRP C[C@@]1(C#N)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000595904596 348396364 /nfs/dbraw/zinc/39/63/64/348396364.db2.gz IDGUICJOQZHHRW-ZDUSSCGKSA-N 2 0 221.348 1.612 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000598735782 349035404 /nfs/dbraw/zinc/03/54/04/349035404.db2.gz RLWGWEYEJSDBPG-UNXYVOJBSA-N 2 0 209.337 1.786 20 30 BDEDRP C=CCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398160488 363020872 /nfs/dbraw/zinc/02/08/72/363020872.db2.gz IAIDSMMDNOKKCK-UONOGXRCSA-N 2 0 240.391 1.778 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214588 354605332 /nfs/dbraw/zinc/60/53/32/354605332.db2.gz OEVODFGXAHCWNZ-UONOGXRCSA-N 2 0 229.327 1.918 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414830162 191590412 /nfs/dbraw/zinc/59/04/12/191590412.db2.gz ARBYMJBKHSNJIF-NSHDSACASA-N 2 0 247.342 1.512 20 30 BDEDRP N#CCc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000399279802 355903867 /nfs/dbraw/zinc/90/38/67/355903867.db2.gz WYULBRMPLZTODS-GJZGRUSLSA-N 2 0 241.338 1.404 20 30 BDEDRP C=CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320391 192195611 /nfs/dbraw/zinc/19/56/11/192195611.db2.gz BNBJDBMKJPGFLM-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP N#Cc1cccc(CC[NH2+]C2CCC([NH3+])CC2)c1 ZINC000423093938 192566464 /nfs/dbraw/zinc/56/64/64/192566464.db2.gz ARMSGVQQBSZDDH-UHFFFAOYSA-N 2 0 243.354 1.960 20 30 BDEDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000600709831 369559215 /nfs/dbraw/zinc/55/92/15/369559215.db2.gz KCBFZXPHGSVYSP-LBPRGKRZSA-N 2 0 247.342 1.445 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769498 369562347 /nfs/dbraw/zinc/56/23/47/369562347.db2.gz NSLXIBVDHRWBLQ-VIFPVBQESA-N 2 0 207.277 1.368 20 30 BDEDRP N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000600768161 369562431 /nfs/dbraw/zinc/56/24/31/369562431.db2.gz DGWAWOFNTUFSLE-FZMZJTMJSA-N 2 0 245.326 1.712 20 30 BDEDRP N#Cc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)o1 ZINC000600770381 369565192 /nfs/dbraw/zinc/56/51/92/369565192.db2.gz XVWFIMWPKRTUKA-NSHDSACASA-N 2 0 233.315 1.773 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000335024793 384011726 /nfs/dbraw/zinc/01/17/26/384011726.db2.gz FETPDNVALSRHTG-QWHCGFSZSA-N 2 0 233.290 1.667 20 30 BDEDRP C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(C#N)o1 ZINC000135147553 384064888 /nfs/dbraw/zinc/06/48/88/384064888.db2.gz PWLZKNWDAKDASS-JTQLQIEISA-N 2 0 230.271 1.526 20 30 BDEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000173893733 384281590 /nfs/dbraw/zinc/28/15/90/384281590.db2.gz MXTHTZYNJVKCEK-LBPRGKRZSA-N 2 0 241.404 1.517 20 30 BDEDRP CNC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000050165485 384601256 /nfs/dbraw/zinc/60/12/56/384601256.db2.gz NWENUFWJILIGMC-UHFFFAOYSA-N 2 0 234.347 1.043 20 30 BDEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414884586 386047122 /nfs/dbraw/zinc/04/71/22/386047122.db2.gz NUOWRNHRQNDPCI-GFCCVEGCSA-N 2 0 234.343 1.936 20 30 BDEDRP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975018 386549067 /nfs/dbraw/zinc/54/90/67/386549067.db2.gz HQHVOXJZQQRIRF-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000335025040 387116629 /nfs/dbraw/zinc/11/66/29/387116629.db2.gz QNZOZGHRIRMDHM-QWRGUYRKSA-N 2 0 207.321 1.540 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423408982 387245739 /nfs/dbraw/zinc/24/57/39/387245739.db2.gz YGRWHPJWWHOTNR-LPWJVIDDSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC000423386358 387270094 /nfs/dbraw/zinc/27/00/94/387270094.db2.gz RSCFFFYKIGHDDX-MROQNXINSA-N 2 0 221.348 1.799 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423013447 387835365 /nfs/dbraw/zinc/83/53/65/387835365.db2.gz MTIZMSOLCDPULX-QWHCGFSZSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423017666 387840970 /nfs/dbraw/zinc/84/09/70/387840970.db2.gz PGFJHSJKJBVJLK-RYUDHWBXSA-N 2 0 214.353 1.278 20 30 BDEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423052678 387861170 /nfs/dbraw/zinc/86/11/70/387861170.db2.gz QHAANOSSZLFVOM-YNEHKIRRSA-N 2 0 226.364 1.685 20 30 BDEDRP C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000582660206 387868344 /nfs/dbraw/zinc/86/83/44/387868344.db2.gz ARAGCYZFWZEXSZ-MGPQQGTHSA-N 2 0 248.374 1.892 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330746 387975595 /nfs/dbraw/zinc/97/55/95/387975595.db2.gz RALZAIPUQLRRMF-RKQHYHRCSA-N 2 0 235.375 1.997 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000451611830 388284149 /nfs/dbraw/zinc/28/41/49/388284149.db2.gz XXOJVSBIVLEVHH-UPJWGTAASA-N 2 0 224.348 1.404 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000393483342 388431412 /nfs/dbraw/zinc/43/14/12/388431412.db2.gz LJZLUXXJNVZFIX-AWEZNQCLSA-N 2 0 222.376 1.966 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249420404 388720165 /nfs/dbraw/zinc/72/01/65/388720165.db2.gz HLSNXKBLSOCKJT-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000332686372 134006680 /nfs/dbraw/zinc/00/66/80/134006680.db2.gz UNPOZETXGPQZSI-IRCOFANPSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC(C)(C)C ZINC000104168138 134159258 /nfs/dbraw/zinc/15/92/58/134159258.db2.gz BZYWYHZRMQCIDJ-NSHDSACASA-N 2 0 240.395 1.564 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368314907 134218019 /nfs/dbraw/zinc/21/80/19/134218019.db2.gz HWICAAIPHZCTOK-CYBMUJFWSA-N 2 0 206.333 1.427 20 30 BDEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000253237526 135124661 /nfs/dbraw/zinc/12/46/61/135124661.db2.gz FOKZKBBPXHVTEY-VXGBXAGGSA-N 2 0 221.348 1.610 20 30 BDEDRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000263091368 135331892 /nfs/dbraw/zinc/33/18/92/135331892.db2.gz IVVSGYXFJIBXRC-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP CC#CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334421450 135399965 /nfs/dbraw/zinc/39/99/65/135399965.db2.gz UCISTVPKCIRBQA-ZDUSSCGKSA-N 2 0 206.333 1.427 20 30 BDEDRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727493 398039822 /nfs/dbraw/zinc/03/98/22/398039822.db2.gz FHFXSBJWWHXPFH-WFASDCNBSA-N 2 0 243.354 1.792 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401099889 411177808 /nfs/dbraw/zinc/17/78/08/411177808.db2.gz CESKITWCGYNMFV-MELADBBJSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345569 411209268 /nfs/dbraw/zinc/20/92/68/411209268.db2.gz GBHPYJUEAVGVKT-RWMBFGLXSA-N 2 0 224.348 1.391 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400956262 411166536 /nfs/dbraw/zinc/16/65/36/411166536.db2.gz HGXVPIRRPOXHKH-MELADBBJSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000661380175 411763207 /nfs/dbraw/zinc/76/32/07/411763207.db2.gz BSHIWLWFFATOPY-ZIAGYGMSSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254264 412049037 /nfs/dbraw/zinc/04/90/37/412049037.db2.gz GNFVERNUFDUWCX-LBPRGKRZSA-N 2 0 224.348 1.405 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665263640 412202715 /nfs/dbraw/zinc/20/27/15/412202715.db2.gz QVULRVGDBMOBTR-OLZOCXBDSA-N 2 0 226.364 1.699 20 30 BDEDRP C=CCOCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000665263062 412206319 /nfs/dbraw/zinc/20/63/19/412206319.db2.gz FTVDIGJJQFNBNH-UHFFFAOYSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000569351496 322962320 /nfs/dbraw/zinc/96/23/20/322962320.db2.gz FRCFXIGPEWEBGK-UHFFFAOYSA-N 2 0 240.391 1.778 20 30 BDEDRP N#Cc1csc(C[NH2+]CCCN2CCC2)c1 ZINC000569743526 323039557 /nfs/dbraw/zinc/03/95/57/323039557.db2.gz LHVLUIKPDPPRQL-UHFFFAOYSA-N 2 0 235.356 1.805 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000320214086 488091865 /nfs/dbraw/zinc/09/18/65/488091865.db2.gz FVVQPIFFCVWSBJ-OCCSQVGLSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662299866 487547359 /nfs/dbraw/zinc/54/73/59/487547359.db2.gz YPAIEVQXIFIAGE-VXGBXAGGSA-N 2 0 212.337 1.119 20 30 BDEDRP CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264128611 536305213 /nfs/dbraw/zinc/30/52/13/536305213.db2.gz STFNQKBYUUQTPA-UHFFFAOYSA-N 2 0 248.374 1.561 20 30 BDEDRP C=CCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264101509 534842811 /nfs/dbraw/zinc/84/28/11/534842811.db2.gz OENLISCXHMBVGJ-UHFFFAOYSA-N 2 0 246.358 1.339 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000339210737 534879600 /nfs/dbraw/zinc/87/96/00/534879600.db2.gz DXDQPVAKTURJOJ-CYBMUJFWSA-N 2 0 224.348 1.217 20 30 BDEDRP CCC[NH+]1CCC(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262627007 535351216 /nfs/dbraw/zinc/35/12/16/535351216.db2.gz DRQUYUNZLFLQRV-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262335165 535550236 /nfs/dbraw/zinc/55/02/36/535550236.db2.gz SBDJWOROZYPYEN-GFCCVEGCSA-N 2 0 238.379 1.175 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397971 584586112 /nfs/dbraw/zinc/58/61/12/584586112.db2.gz IRBITZHARJBSKE-ZDUSSCGKSA-N 2 0 240.391 1.947 20 30 BDEDRP C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1[NH3+] ZINC000903453725 584772616 /nfs/dbraw/zinc/77/26/16/584772616.db2.gz JWRXJJCZZJEHCR-IKWCTNDRSA-N 2 0 221.348 1.595 20 30 BDEDRP C=CC[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)COC ZINC000903766948 584797376 /nfs/dbraw/zinc/79/73/76/584797376.db2.gz DINSAOQWMFIWCJ-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP C#CCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000766917397 585511419 /nfs/dbraw/zinc/51/14/19/585511419.db2.gz HERHSQMFIRMKCL-OAHLLOKOSA-N 2 0 249.402 1.112 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917769 586840444 /nfs/dbraw/zinc/84/04/44/586840444.db2.gz HIICLJXQCCFGCX-RYUDHWBXSA-N 2 0 247.342 1.804 20 30 BDEDRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817942026 586845196 /nfs/dbraw/zinc/84/51/96/586845196.db2.gz XAXQUCOGISUYLK-LBPRGKRZSA-N 2 0 247.342 1.849 20 30 BDEDRP C#C[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000847022073 588302744 /nfs/dbraw/zinc/30/27/44/588302744.db2.gz RVTUPIGDSLFGKR-CYBMUJFWSA-N 2 0 217.316 1.618 20 30 BDEDRP CC[NH+](CC)CCCNC(NC1CC1)=[NH+]C ZINC000848980826 588423703 /nfs/dbraw/zinc/42/37/03/588423703.db2.gz RKJFXKVLDNXMIK-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C[NH+]=C(NCCC[NH2+]C(C)(C)C)NC1CC1 ZINC000848994139 588428432 /nfs/dbraw/zinc/42/84/32/588428432.db2.gz WJPAALXFJWAUFX-UHFFFAOYSA-N 2 0 226.368 1.092 20 30 BDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCC1 ZINC000848995487 588428616 /nfs/dbraw/zinc/42/86/16/588428616.db2.gz LYPCLROPZBQSRA-LBPRGKRZSA-N 2 0 240.395 1.340 20 30 BDEDRP C=CCNC(=[NH2+])NCC1CC[NH+](CCC)CC1 ZINC000848996324 588429104 /nfs/dbraw/zinc/42/91/04/588429104.db2.gz UFBJIEAWKRHJRK-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP C[C@H]1C[NH+]=C(NCCCCCCC[NH+](C)C)N1 ZINC000848998330 588430159 /nfs/dbraw/zinc/43/01/59/588430159.db2.gz WAGDQIVYKDDQFP-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP C#CCCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784346 589818489 /nfs/dbraw/zinc/81/84/89/589818489.db2.gz BEDBFFOQPPVSDI-YHWZYXNKSA-N 2 0 249.358 1.771 20 30 BDEDRP C=CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248593 590721488 /nfs/dbraw/zinc/72/14/88/590721488.db2.gz QDOGMKRPXUEGAX-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP CC#CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596630 590825221 /nfs/dbraw/zinc/82/52/21/590825221.db2.gz ODHHWVYEDRWFGH-UHFFFAOYSA-N 2 0 249.402 1.112 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883393098 591645231 /nfs/dbraw/zinc/64/52/31/591645231.db2.gz VWCCGRWGZMETEB-OLZOCXBDSA-N 2 0 240.391 1.776 20 30 BDEDRP C#CCSCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000134762691 591949165 /nfs/dbraw/zinc/94/91/65/591949165.db2.gz DRDMZOPVBSYABT-UHFFFAOYSA-N 2 0 240.416 1.815 20 30 BDEDRP CNC(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)=[NH+]C ZINC000066245727 632861164 /nfs/dbraw/zinc/86/11/64/632861164.db2.gz HOLCKAFJEAZMPJ-YPMHNXCESA-N 2 0 240.395 1.292 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000328027705 633213864 /nfs/dbraw/zinc/21/38/64/633213864.db2.gz UQSPZAKZNRNKMV-ZDUSSCGKSA-N 2 0 238.375 1.489 20 30 BDEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCCC1 ZINC000303871605 635934078 /nfs/dbraw/zinc/93/40/78/635934078.db2.gz FYPNSUXJTBFHKI-GFCCVEGCSA-N 2 0 240.395 1.198 20 30 BDEDRP C#CC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000895116688 636063970 /nfs/dbraw/zinc/06/39/70/636063970.db2.gz VTMPZUKXDJMFLW-UHFFFAOYSA-N 2 0 220.360 1.673 20 30 BDEDRP C#CCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000308896419 633827279 /nfs/dbraw/zinc/82/72/79/633827279.db2.gz IZHQNVHVTGUJGQ-ZDUSSCGKSA-N 2 0 206.333 1.427 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647672 634202615 /nfs/dbraw/zinc/20/26/15/634202615.db2.gz FEZCRNUZZHVFMM-IJLUTSLNSA-N 2 0 226.364 1.419 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000303987740 636319963 /nfs/dbraw/zinc/31/99/63/636319963.db2.gz JLGXJUKTEZGXKP-QWRGUYRKSA-N 2 0 226.368 1.031 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCC1CCC1 ZINC000303982503 636321151 /nfs/dbraw/zinc/32/11/51/636321151.db2.gz QEDVGERKSXDAPD-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903204239 637354655 /nfs/dbraw/zinc/35/46/55/637354655.db2.gz SAINZHAWPGIURD-WDFAYWTNSA-N 2 0 236.359 1.281 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000911798964 639820953 /nfs/dbraw/zinc/82/09/53/639820953.db2.gz CNFWTQRNJUOEHR-NSHDSACASA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000231800440 641207403 /nfs/dbraw/zinc/20/74/03/641207403.db2.gz LHWWSKPEXIXEHD-OLZOCXBDSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@@H](O)CN(C)CC ZINC000934644585 641229786 /nfs/dbraw/zinc/22/97/86/641229786.db2.gz FYAYRTDVWBJFFF-ZDUSSCGKSA-N 2 0 228.380 1.587 20 30 BDEDRP C=C(Cl)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082474977 643318922 /nfs/dbraw/zinc/31/89/22/643318922.db2.gz GWNBUNKQIBRAEY-SECBINFHSA-N 2 0 202.729 1.798 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923294779 644331748 /nfs/dbraw/zinc/33/17/48/644331748.db2.gz PMGBRJNGMOSBNE-QWHCGFSZSA-N 2 0 228.380 1.619 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349163 644362126 /nfs/dbraw/zinc/36/21/26/644362126.db2.gz PHHPWHAOZNJMRH-CHWSQXEVSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923426573 644422439 /nfs/dbraw/zinc/42/24/39/644422439.db2.gz OGGWPKLQXNBAEL-CYBMUJFWSA-N 2 0 238.375 1.532 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303388413 644820289 /nfs/dbraw/zinc/82/02/89/644820289.db2.gz XCUXXJUFBIXTTH-ONGXEEELSA-N 2 0 226.368 1.029 20 30 BDEDRP CCNC(NC[C@@H](C)[N@H+](C)C1CC1)=[NH+]CC ZINC000303410189 644822038 /nfs/dbraw/zinc/82/20/38/644822038.db2.gz WAEOUXRAVTYGGR-SNVBAGLBSA-N 2 0 226.368 1.044 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303709723 644839053 /nfs/dbraw/zinc/83/90/53/644839053.db2.gz NXNLNVIGOHEONO-LBPRGKRZSA-N 2 0 238.379 1.271 20 30 BDEDRP CCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303719257 644841057 /nfs/dbraw/zinc/84/10/57/644841057.db2.gz VTOXYRBYGXBGTF-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP CCCCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000303893700 644853726 /nfs/dbraw/zinc/85/37/26/644853726.db2.gz OIZASXWDSIEJGX-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303885956 644854898 /nfs/dbraw/zinc/85/48/98/644854898.db2.gz NNVPGBBJUVKZMN-GFCCVEGCSA-N 2 0 238.379 1.199 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCC(C)C)C1 ZINC000303893678 644854951 /nfs/dbraw/zinc/85/49/51/644854951.db2.gz OIOAAPGEWZFESX-LBPRGKRZSA-N 2 0 240.395 1.279 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303910387 644857182 /nfs/dbraw/zinc/85/71/82/644857182.db2.gz YVEZYYJLPMCNFB-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925547966 646326385 /nfs/dbraw/zinc/32/63/85/646326385.db2.gz DWWHJGUVLHTIQM-ZDUSSCGKSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925550925 646329506 /nfs/dbraw/zinc/32/95/06/646329506.db2.gz UWDJACGYKMJDNO-CQSZACIVSA-N 2 0 249.402 1.511 20 30 BDEDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCC#N)C1 ZINC000925637270 646380981 /nfs/dbraw/zinc/38/09/81/646380981.db2.gz JCNRXNCZWYTGIG-QWRGUYRKSA-N 2 0 209.337 1.786 20 30 BDEDRP N#Cc1ccc(CN[C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925672040 646403492 /nfs/dbraw/zinc/40/34/92/646403492.db2.gz GHXRYYYAGWARGE-STQMWFEESA-N 2 0 242.326 1.313 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925769167 646470037 /nfs/dbraw/zinc/47/00/37/646470037.db2.gz BGYGNLVDCXIVQW-FRRDWIJNSA-N 2 0 240.391 1.809 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000925768994 646470297 /nfs/dbraw/zinc/47/02/97/646470297.db2.gz ADYLSAIHLRZGRS-MCIGGMRASA-N 2 0 212.337 1.173 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925770200 646471395 /nfs/dbraw/zinc/47/13/95/646471395.db2.gz HTQYJNOUFPDOSK-GARJFASQSA-N 2 0 200.326 1.029 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000925772371 646472297 /nfs/dbraw/zinc/47/22/97/646472297.db2.gz RWAPAVONLZGAAG-NWDGAFQWSA-N 2 0 214.353 1.421 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810001 646491125 /nfs/dbraw/zinc/49/11/25/646491125.db2.gz MMEQZYSEHWHHHY-QWHCGFSZSA-N 2 0 239.407 1.600 20 30 BDEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710749550 712255797 /nfs/dbraw/zinc/25/57/97/712255797.db2.gz IBLOEDLINPXPQI-GFCCVEGCSA-N 2 0 241.379 1.128 20 30 BDEDRP C[C@@H](C#N)OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000383044276 710868574 /nfs/dbraw/zinc/86/85/74/710868574.db2.gz IEXGVBAPRXRYNY-LBPRGKRZSA-N 2 0 239.363 1.189 20 30 BDEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000392840299 711153476 /nfs/dbraw/zinc/15/34/76/711153476.db2.gz YUOJHVUIAOVAFW-CABCVRRESA-N 3 0 249.402 1.158 20 30 BDEDRP CCNC(NCC1([NH+](C)C)CCCC1)=[NH+]CC ZINC000395945447 711217214 /nfs/dbraw/zinc/21/72/14/711217214.db2.gz DAIJKVIRIALMFL-UHFFFAOYSA-N 2 0 240.395 1.436 20 30 BDEDRP C=CCOCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000700950677 712010526 /nfs/dbraw/zinc/01/05/26/712010526.db2.gz PIHCWGLCNRVAOY-UHFFFAOYSA-N 2 0 226.364 1.511 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702332947 712047973 /nfs/dbraw/zinc/04/79/73/712047973.db2.gz XECIEGJXCFKDOR-OLZOCXBDSA-N 2 0 206.333 1.283 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000702651729 712058793 /nfs/dbraw/zinc/05/87/93/712058793.db2.gz KHHYPZPCTWVDMW-ZDUSSCGKSA-N 2 0 221.348 1.612 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC#N)C2 ZINC001169100746 969398145 /nfs/dbraw/zinc/39/81/45/969398145.db2.gz MHPQIADTSBEVSN-ZSBIGDGJSA-N 2 0 207.321 1.505 20 30 BDEDRP C=CCOC1CCC([N@H+]2CCC[C@@H]2CN)CC1 ZINC001246918968 973473517 /nfs/dbraw/zinc/47/35/17/973473517.db2.gz YVMTYXHFZSTUIX-ROKHWSDSSA-N 2 0 238.375 1.923 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405294621 971231788 /nfs/dbraw/zinc/23/17/88/971231788.db2.gz GAAXJQRSTVHKAS-WDEREUQCSA-N 2 0 226.389 1.765 20 30 BDEDRP C=C1C[C@@H]2CC([NH2+]C[C@@H](O)C[NH3+])C[C@H](C1)C2 ZINC001257887084 971517725 /nfs/dbraw/zinc/51/77/25/971517725.db2.gz IAJQWLYAGNWIFO-HNGCFSAESA-N 2 0 224.348 1.031 20 30 BDEDRP CC(C)C[NH+]1CCC([NH2+]CCS)CC1 ZINC001258001485 971555292 /nfs/dbraw/zinc/55/52/92/971555292.db2.gz SPXNGCBUDCKEBN-UHFFFAOYSA-N 2 0 216.394 1.626 20 30 BDEDRP Cc1nc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c(C)c1C ZINC001170898382 972055741 /nfs/dbraw/zinc/05/57/41/972055741.db2.gz UGCZPQGIFCFWAU-GFCCVEGCSA-N 2 0 247.346 1.314 20 30 BDEDRP N#CCCc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170899764 972065424 /nfs/dbraw/zinc/06/54/24/972065424.db2.gz MJAISRPQUSGGKA-CYBMUJFWSA-N 2 0 232.331 1.578 20 30 BDEDRP C/C(=N\O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170903297 972076399 /nfs/dbraw/zinc/07/63/99/972076399.db2.gz IXMTYNQGPGKSOW-GFQQVXNGSA-N 2 0 236.319 1.320 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246090873 972145318 /nfs/dbraw/zinc/14/53/18/972145318.db2.gz MIYZFLXBSRMUAT-NWDGAFQWSA-N 2 0 209.337 1.800 20 30 BDEDRP N#CC1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC001246091252 972145470 /nfs/dbraw/zinc/14/54/70/972145470.db2.gz NYFFRZNJDJAPKM-BPCQOVAHSA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C[NH2+]1 ZINC001246198439 972214422 /nfs/dbraw/zinc/21/44/22/972214422.db2.gz PHUOZBCFXAIULY-MFKMUULPSA-N 2 0 242.326 1.404 20 30 BDEDRP N#CCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC001162404998 964963127 /nfs/dbraw/zinc/96/31/27/964963127.db2.gz SHGNUIVCZYWXHO-ZYHUDNBSSA-N 2 0 230.315 1.251 20 30 BDEDRP C=CCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209839 967431037 /nfs/dbraw/zinc/43/10/37/967431037.db2.gz LTMLTTSTJWDXLM-CYBMUJFWSA-N 2 0 226.364 1.518 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012309 967968759 /nfs/dbraw/zinc/96/87/59/967968759.db2.gz KFFFYYKJUROQHL-NEPJUHHUSA-N 2 0 246.358 1.693 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001252579566 968833402 /nfs/dbraw/zinc/83/34/02/968833402.db2.gz WTWLBVQHHGJUTL-AWEZNQCLSA-N 2 0 240.391 1.779 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252581597 968835189 /nfs/dbraw/zinc/83/51/89/968835189.db2.gz IERBPBVCLYCROK-UPJWGTAASA-N 2 0 226.364 1.386 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001253600875 969293909 /nfs/dbraw/zinc/29/39/09/969293909.db2.gz GYDAJYJROKDKLH-CHWSQXEVSA-N 2 0 226.364 1.387 20 30 BDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001253606958 969304136 /nfs/dbraw/zinc/30/41/36/969304136.db2.gz OVLFDQJWJBRANO-AWEZNQCLSA-N 2 0 238.375 1.387 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001253607076 969305232 /nfs/dbraw/zinc/30/52/32/969305232.db2.gz RNHFZZIRCNPWPI-LLVKDONJSA-N 2 0 231.299 1.242 20 30 BDEDRP C[NH+]1CCC2(C[NH+]([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254673287 969779729 /nfs/dbraw/zinc/77/97/29/969779729.db2.gz ICVIOMBEJCLLNE-OLZOCXBDSA-N 2 0 233.359 1.706 20 30 BDEDRP CC[NH+](CC)CC[C@H](C)[NH2+]CCS ZINC001255944354 970576462 /nfs/dbraw/zinc/57/64/62/970576462.db2.gz UWNZCXRJPKSDFX-JTQLQIEISA-N 2 0 204.383 1.626 20 30 BDEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC#N)C2 ZINC001172111043 974374835 /nfs/dbraw/zinc/37/48/35/974374835.db2.gz PWKXQVGZRZTWEN-CLLJXQQHSA-N 2 0 221.348 1.895 20 30 BDEDRP Cc1ccc([C@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001335968945 977395107 /nfs/dbraw/zinc/39/51/07/977395107.db2.gz MEOBOYQCGNJBNY-OAHLLOKOSA-N 2 0 246.354 1.183 20 30 BDEDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CC#N ZINC001338266724 978647980 /nfs/dbraw/zinc/64/79/80/978647980.db2.gz CUKPEKLJZFJZIF-UHFFFAOYSA-N 2 0 241.254 1.428 20 30 BDEDRP C=CCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054605 978964988 /nfs/dbraw/zinc/96/49/88/978964988.db2.gz XAROIDBUABYFSY-CQSZACIVSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CC[NH2+]CCN1CCC2(CC[NH2+]CC2)CC1 ZINC001235134732 978980383 /nfs/dbraw/zinc/98/03/83/978980383.db2.gz BPZQNJRZTWQOLD-UHFFFAOYSA-N 3 0 237.391 1.228 20 30 BDEDRP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001579474202 985976706 /nfs/dbraw/zinc/97/67/06/985976706.db2.gz ZUCXXEYAQXXANM-RNJOBUHISA-N 2 0 219.332 1.220 20 30 BDEDRP N#C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040616 986452165 /nfs/dbraw/zinc/45/21/65/986452165.db2.gz LTLBNNIUYNLYFA-QNWHQSFQSA-N 2 0 219.332 1.220 20 30 BDEDRP CC#CC[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001462629564 986470848 /nfs/dbraw/zinc/47/08/48/986470848.db2.gz MXFFKJDZKWKEJL-UHFFFAOYSA-N 2 0 208.349 1.673 20 30 BDEDRP N#CCC1(C[NH2+]C2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001580047780 986480570 /nfs/dbraw/zinc/48/05/70/986480570.db2.gz OECGZFINVBYZBV-SQLBVSGCSA-N 2 0 205.305 1.150 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246019741 987306081 /nfs/dbraw/zinc/30/60/81/987306081.db2.gz JSEDGZWHFCRQGV-OLZOCXBDSA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021573 987306280 /nfs/dbraw/zinc/30/62/80/987306280.db2.gz KQTOBTUQYMICQC-MCIONIFRSA-N 2 0 240.391 1.620 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246023740 987316875 /nfs/dbraw/zinc/31/68/75/987316875.db2.gz SQQGCBQQENCPPE-NEPJUHHUSA-N 2 0 230.327 1.076 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035135 987334571 /nfs/dbraw/zinc/33/45/71/987334571.db2.gz ZJMWZXCAXUZAPH-OLZOCXBDSA-N 2 0 224.348 1.141 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC001246104960 987431801 /nfs/dbraw/zinc/43/18/01/987431801.db2.gz VVJKPPFBEPSXRJ-AHPWVWPOSA-N 2 0 235.375 1.904 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246205293 987604348 /nfs/dbraw/zinc/60/43/48/987604348.db2.gz LIEKZXQVSVGKLW-NDBYEHHHSA-N 2 0 221.348 1.799 20 30 BDEDRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246311456 987713521 /nfs/dbraw/zinc/71/35/21/987713521.db2.gz CUZIPSQWCSJIPS-SMDDNHRTSA-N 2 0 231.343 1.816 20 30 BDEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CCC[NH2+]C2)cc1C ZINC001246483765 987842242 /nfs/dbraw/zinc/84/22/42/987842242.db2.gz OGGCEZVLXWTRBG-CYBMUJFWSA-N 2 0 231.343 1.761 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562747 988005692 /nfs/dbraw/zinc/00/56/92/988005692.db2.gz ZLCKNWWNFPNEGR-QWRGUYRKSA-N 2 0 245.317 1.985 20 30 BDEDRP C[C@H](CCCC#N)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246618210 988240631 /nfs/dbraw/zinc/24/06/31/988240631.db2.gz HPGZGZFXCWRQPO-LLVKDONJSA-N 2 0 227.327 1.832 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932072 988758444 /nfs/dbraw/zinc/75/84/44/988758444.db2.gz PEGYSYFXMIJCIZ-MQYQWHSLSA-N 2 0 233.359 1.610 20 30 BDEDRP C#CC(C)(C)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC001574458450 992864898 /nfs/dbraw/zinc/86/48/98/992864898.db2.gz RFLLYYZLEXFEPY-GFCCVEGCSA-N 2 0 208.349 1.720 20 30 BDEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC001574760485 992899285 /nfs/dbraw/zinc/89/92/85/992899285.db2.gz ZSIMRCFNACCAOL-ZDEQEGDKSA-N 2 0 220.360 1.894 20 30 BDEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC001574907560 992943487 /nfs/dbraw/zinc/94/34/87/992943487.db2.gz RCYLPUXQWDVZHE-MGPQQGTHSA-N 2 0 240.391 1.681 20 30 BDEDRP C=CC[N@@H+](C)CCN(CC)CCC[NH2+]C ZINC001574921326 992946696 /nfs/dbraw/zinc/94/66/96/992946696.db2.gz YPPQHKUZCPMZOA-UHFFFAOYSA-N 2 0 213.369 1.036 20 30 BDEDRP C=CC[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@@H](C)COC ZINC001574933132 992947608 /nfs/dbraw/zinc/94/76/08/992947608.db2.gz LXFZRWDQVWVUDE-RWMBFGLXSA-N 2 0 226.364 1.637 20 30 BDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@H]1C[NH3+] ZINC001576807801 993426385 /nfs/dbraw/zinc/42/63/85/993426385.db2.gz VSCNKQGCWFPJAM-AAEUAGOBSA-N 2 0 244.342 1.370 20 30 BDEDRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000390475626 993790699 /nfs/dbraw/zinc/79/06/99/993790699.db2.gz KOACOTRDBIQDTC-RYUDHWBXSA-N 2 0 223.364 1.856 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649351953 398164065 /nfs/dbraw/zinc/16/40/65/398164065.db2.gz ZHHCYKRPVFBVEI-CQSZACIVSA-N 2 0 247.342 1.141 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750230 398230205 /nfs/dbraw/zinc/23/02/05/398230205.db2.gz NBSCNIYAHNVEHT-FRRDWIJNSA-N 2 0 235.375 1.999 20 30 BDEDRP C=C(C)COCC[NH2+]C1CC[NH+](CC)CC1 ZINC000162336755 349664357 /nfs/dbraw/zinc/66/43/57/349664357.db2.gz OYAGRDISNVWGIW-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP CC#CC[NH+](C)C/C=C/C[N@@H+](C)CC#CC ZINC000339766636 136280905 /nfs/dbraw/zinc/28/09/05/136280905.db2.gz TVOCNXFWOSVSNR-MDZDMXLPSA-N 2 0 218.344 1.453 20 30 BDEDRP CC#CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350251996 136357085 /nfs/dbraw/zinc/35/70/85/136357085.db2.gz MPHOOAUDLQNMFA-AWEZNQCLSA-N 2 0 238.375 1.442 20 30 BDEDRP C=CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000625704136 344049070 /nfs/dbraw/zinc/04/90/70/344049070.db2.gz VXPXNROGQHCABI-KBPBESRZSA-N 2 0 240.391 1.586 20 30 BDEDRP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000625704140 344049126 /nfs/dbraw/zinc/04/91/26/344049126.db2.gz VXPXNROGQHCABI-UONOGXRCSA-N 2 0 240.391 1.586 20 30 BDEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000133238455 344316370 /nfs/dbraw/zinc/31/63/70/344316370.db2.gz HBMAPUYHQWDPPW-NEPJUHHUSA-N 2 0 209.337 1.610 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000592439031 347778964 /nfs/dbraw/zinc/77/89/64/347778964.db2.gz YCUGLQYUJYFUNP-IKOXMDCHSA-N 2 0 233.359 1.656 20 30 BDEDRP C[C@H]1CCN(Cc2ccncc2C#N)C[C@@H]1C[NH3+] ZINC000592495884 347788365 /nfs/dbraw/zinc/78/83/65/347788365.db2.gz UXSJIARWVRSZSE-FZMZJTMJSA-N 2 0 244.342 1.370 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592471025 347790148 /nfs/dbraw/zinc/79/01/48/347790148.db2.gz RXZBGNCEIKPMAO-RWMBFGLXSA-N 2 0 233.359 1.658 20 30 BDEDRP N#CCCCC[NH2+]Cc1cnc2n1CCC2 ZINC000594922970 348156360 /nfs/dbraw/zinc/15/63/60/348156360.db2.gz WIDQFBBZVMWTGG-UHFFFAOYSA-N 2 0 218.304 1.613 20 30 BDEDRP N#Cc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000595293959 348215572 /nfs/dbraw/zinc/21/55/72/348215572.db2.gz VMSIPDWFOAKEQJ-HUUCEWRRSA-N 2 0 241.338 1.252 20 30 BDEDRP C[C@]1(C#N)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000595904513 348396261 /nfs/dbraw/zinc/39/62/61/348396261.db2.gz DZHQCBBTYOYRHF-VXGBXAGGSA-N 2 0 207.321 1.222 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000596648632 348604392 /nfs/dbraw/zinc/60/43/92/348604392.db2.gz TXKYHFZLBLGJST-CXQJBGSLSA-N 2 0 207.321 1.410 20 30 BDEDRP CC1(C#N)CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000596652832 348606797 /nfs/dbraw/zinc/60/67/97/348606797.db2.gz IRGBETDIYHQRHX-UHFFFAOYSA-N 2 0 233.359 1.800 20 30 BDEDRP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)CC1(C)C ZINC000598972425 349069483 /nfs/dbraw/zinc/06/94/83/349069483.db2.gz RFPGVMLGDJDPPO-NSHDSACASA-N 2 0 209.337 1.753 20 30 BDEDRP C=CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151284801 538027530 /nfs/dbraw/zinc/02/75/30/538027530.db2.gz ZAAWBLHACJQKPD-UHFFFAOYSA-N 2 0 217.316 1.780 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623539168 362958517 /nfs/dbraw/zinc/95/85/17/362958517.db2.gz CKBFOYWVRIQOIJ-UPJWGTAASA-N 2 0 238.375 1.792 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542343 362960975 /nfs/dbraw/zinc/96/09/75/362960975.db2.gz WLEONNZKMCGQJT-QWHCGFSZSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C(CC)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344066474 354130450 /nfs/dbraw/zinc/13/04/50/354130450.db2.gz PFAIMIQKCKYSHL-UHFFFAOYSA-N 2 0 241.423 1.768 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106555 192570685 /nfs/dbraw/zinc/57/06/85/192570685.db2.gz ZZPFUAGSLHEKJE-RFGFWPKPSA-N 2 0 238.375 1.698 20 30 BDEDRP COCC#CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757683 356664070 /nfs/dbraw/zinc/66/40/70/356664070.db2.gz OCFJKHSUYAMXJW-UHFFFAOYSA-N 2 0 236.359 1.054 20 30 BDEDRP C=C(Cl)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000167717041 134153779 /nfs/dbraw/zinc/15/37/79/134153779.db2.gz WEFWXJAZUQRYAX-UWVGGRQHSA-N 2 0 202.729 1.846 20 30 BDEDRP C=CC[N@@H+](CCCn1ccnc1)CCOC ZINC000191139951 357752987 /nfs/dbraw/zinc/75/29/87/357752987.db2.gz LYHBNMRWVRGMNG-UHFFFAOYSA-N 2 0 223.320 1.408 20 30 BDEDRP CCN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)C#N ZINC000124993438 358530463 /nfs/dbraw/zinc/53/04/63/358530463.db2.gz WTGYNSXQVFQSNN-STQMWFEESA-N 2 0 223.364 1.952 20 30 BDEDRP NC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000057888059 358908246 /nfs/dbraw/zinc/90/82/46/358908246.db2.gz UZKRDINKYJWSBB-UHFFFAOYSA-N 2 0 232.331 1.056 20 30 BDEDRP C=CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936836 366561643 /nfs/dbraw/zinc/56/16/43/366561643.db2.gz MVNSFSCHQBRYIU-UHFFFAOYSA-N 2 0 239.407 1.520 20 30 BDEDRP C=C(C)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000578879291 366665864 /nfs/dbraw/zinc/66/58/64/366665864.db2.gz RMRGUHPYPQZLEY-UHFFFAOYSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399024 361046912 /nfs/dbraw/zinc/04/69/12/361046912.db2.gz APEUJKXKUQWULC-VXGBXAGGSA-N 2 0 214.353 1.542 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404882 361054392 /nfs/dbraw/zinc/05/43/92/361054392.db2.gz SGSDVRWEMMLDPK-NWDGAFQWSA-N 2 0 214.353 1.413 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629550531 361442901 /nfs/dbraw/zinc/44/29/01/361442901.db2.gz OCGIDDPTWVDVIC-OLZOCXBDSA-N 2 0 236.359 1.405 20 30 BDEDRP C=CC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629588766 361478914 /nfs/dbraw/zinc/47/89/14/361478914.db2.gz OECLUHGMGXCPJJ-CYBMUJFWSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCCCCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000574816612 365152030 /nfs/dbraw/zinc/15/20/30/365152030.db2.gz PILNLXNCZGVMRD-ZDUSSCGKSA-N 2 0 228.380 1.635 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581022195 367239618 /nfs/dbraw/zinc/23/96/18/367239618.db2.gz NPYRIFPRJNYVLE-TUAOUCFPSA-N 2 0 212.337 1.031 20 30 BDEDRP C[C@H]1CCN(Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600769809 369562283 /nfs/dbraw/zinc/56/22/83/369562283.db2.gz RNBSFNJEVVRCHG-QWRGUYRKSA-N 2 0 233.315 1.568 20 30 BDEDRP C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(C#N)o1 ZINC000600769576 369563416 /nfs/dbraw/zinc/56/34/16/369563416.db2.gz OVMBNPXYDAHVQC-JOYOIKCWSA-N 2 0 219.288 1.239 20 30 BDEDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000216029216 371684053 /nfs/dbraw/zinc/68/40/53/371684053.db2.gz NSRQIXAMAOIUNG-SMDDNHRTSA-N 2 0 229.327 1.727 20 30 BDEDRP COc1cc(CNCCC[NH+](C)C)ccc1C#N ZINC000234839425 384067981 /nfs/dbraw/zinc/06/79/81/384067981.db2.gz MTPLAQYJXQDICC-UHFFFAOYSA-N 2 0 247.342 1.608 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000126872147 384182396 /nfs/dbraw/zinc/18/23/96/384182396.db2.gz VXDMVVACLATWQN-SMDDNHRTSA-N 2 0 229.327 1.727 20 30 BDEDRP C#CCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206602 533044509 /nfs/dbraw/zinc/04/45/09/533044509.db2.gz ZCFGNDGDUFRXFO-HNNXBMFYSA-N 2 0 249.402 1.110 20 30 BDEDRP C#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000372387155 533055922 /nfs/dbraw/zinc/05/59/22/533055922.db2.gz ZOADJCPISIGCTE-RDBSUJKOSA-N 2 0 218.344 1.426 20 30 BDEDRP C#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000372387152 533056607 /nfs/dbraw/zinc/05/66/07/533056607.db2.gz ZOADJCPISIGCTE-HZSPNIEDSA-N 2 0 218.344 1.426 20 30 BDEDRP C#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000372387153 533056707 /nfs/dbraw/zinc/05/67/07/533056707.db2.gz ZOADJCPISIGCTE-MCIONIFRSA-N 2 0 218.344 1.426 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000309110989 385426348 /nfs/dbraw/zinc/42/63/48/385426348.db2.gz JQZWAKQOSDVAKN-GRYCIOLGSA-N 2 0 209.337 1.608 20 30 BDEDRP C[NH+](C)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334960710 387040614 /nfs/dbraw/zinc/04/06/14/387040614.db2.gz YWJWGOCAARLVGL-KBPBESRZSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423414294 387246914 /nfs/dbraw/zinc/24/69/14/387246914.db2.gz BVNOWWWQPNIAFS-BFHYXJOUSA-N 2 0 240.391 1.945 20 30 BDEDRP CC#CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451985818 387692812 /nfs/dbraw/zinc/69/28/12/387692812.db2.gz MTVLGRNFCWPJMM-UHFFFAOYSA-N 2 0 237.391 1.015 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422977486 387788454 /nfs/dbraw/zinc/78/84/54/387788454.db2.gz WUYVPDKCGDRMIV-NWDGAFQWSA-N 2 0 209.337 1.930 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423014367 387836771 /nfs/dbraw/zinc/83/67/71/387836771.db2.gz IENPUUOMOQUJEW-AVGNSLFASA-N 2 0 226.364 1.149 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423034878 387851137 /nfs/dbraw/zinc/85/11/37/387851137.db2.gz IRKBYZPLSYACPC-HTAVTVPLSA-N 2 0 212.337 1.031 20 30 BDEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423052675 387860782 /nfs/dbraw/zinc/86/07/82/387860782.db2.gz QHAANOSSZLFVOM-FRRDWIJNSA-N 2 0 226.364 1.685 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000424385517 388000703 /nfs/dbraw/zinc/00/07/03/388000703.db2.gz WGTFAQKAXNWEOQ-USZNOCQGSA-N 2 0 212.337 1.293 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000424383084 388000853 /nfs/dbraw/zinc/00/08/53/388000853.db2.gz SZEXVTGQEHQDNF-RVMXOQNASA-N 2 0 224.348 1.295 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449520364 388223001 /nfs/dbraw/zinc/22/30/01/388223001.db2.gz PBKQBXWXFIFZBV-DGAVXFQQSA-N 2 0 236.359 1.546 20 30 BDEDRP CCC[N@H+](C)C[C@@H]1CCN(CCCC#N)C1 ZINC000081572061 388584468 /nfs/dbraw/zinc/58/44/68/388584468.db2.gz HINUMERKZUIHAT-ZDUSSCGKSA-N 2 0 223.364 1.954 20 30 BDEDRP C[NH+](C)CCOCC[NH2+]Cc1cccc(C#N)c1 ZINC000230005137 388631211 /nfs/dbraw/zinc/63/12/11/388631211.db2.gz JTFHOBAUQKUWRS-UHFFFAOYSA-N 2 0 247.342 1.226 20 30 BDEDRP C[C@@H]1CCNC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094605 388688164 /nfs/dbraw/zinc/68/81/64/388688164.db2.gz CCRNPCOGGQYYNJ-IUODEOHRSA-N 2 0 243.354 1.688 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423224970 388689962 /nfs/dbraw/zinc/68/99/62/388689962.db2.gz KSUBXILMUHOMEN-QWRGUYRKSA-N 2 0 217.316 1.946 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423306813 388691374 /nfs/dbraw/zinc/69/13/74/388691374.db2.gz MAMFRXAXHZDIMZ-NXEZZACHSA-N 2 0 235.306 1.943 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351536785 133973670 /nfs/dbraw/zinc/97/36/70/133973670.db2.gz SCBVHKOISJTOSO-CQSZACIVSA-N 2 0 240.391 1.587 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000332686374 134006471 /nfs/dbraw/zinc/00/64/71/134006471.db2.gz UNPOZETXGPQZSI-NNYUYHANSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367846715 134216549 /nfs/dbraw/zinc/21/65/49/134216549.db2.gz CFPQDQVQCZBSQX-KBPBESRZSA-N 2 0 238.375 1.341 20 30 BDEDRP C#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220951459 134314776 /nfs/dbraw/zinc/31/47/76/134314776.db2.gz PHYCVXWBCROYMP-QWHCGFSZSA-N 2 0 206.333 1.426 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221939428 134326664 /nfs/dbraw/zinc/32/66/64/134326664.db2.gz WVFKNJNGFQMWOL-NWDGAFQWSA-N 2 0 228.405 1.835 20 30 BDEDRP C=CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])COC ZINC000234810603 134388479 /nfs/dbraw/zinc/38/84/79/134388479.db2.gz HJNWPQSTYBENQI-MNOVXSKESA-N 2 0 200.326 1.295 20 30 BDEDRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000234794790 135043436 /nfs/dbraw/zinc/04/34/36/135043436.db2.gz XOHVSEUSGQYXKD-AWEZNQCLSA-N 2 0 247.342 1.402 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000264101795 135133122 /nfs/dbraw/zinc/13/31/22/135133122.db2.gz OHOXCVJWKVHROC-UHFFFAOYSA-N 2 0 226.368 1.197 20 30 BDEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC1CCC1 ZINC000263159291 135336349 /nfs/dbraw/zinc/33/63/49/135336349.db2.gz QLABUHIGWUDPNO-UHFFFAOYSA-N 2 0 238.379 1.318 20 30 BDEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC1CCCC1 ZINC000263279848 135344187 /nfs/dbraw/zinc/34/41/87/135344187.db2.gz ZRTLJTXIYJOMCB-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C=CCOCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000679576832 487610580 /nfs/dbraw/zinc/61/05/80/487610580.db2.gz WGBDHCHASKHGGH-UHFFFAOYSA-N 2 0 238.375 1.653 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651433832 411025416 /nfs/dbraw/zinc/02/54/16/411025416.db2.gz NJUZHMVNPMAUBD-YUTCNCBUSA-N 2 0 238.375 1.650 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400945798 411165777 /nfs/dbraw/zinc/16/57/77/411165777.db2.gz USSAZBGLYFIKKM-IGQOVBAYSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658209924 411294214 /nfs/dbraw/zinc/29/42/14/411294214.db2.gz KSUIXOKPEGXQMW-ZDUSSCGKSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658209923 411294415 /nfs/dbraw/zinc/29/44/15/411294415.db2.gz KSUIXOKPEGXQMW-CYBMUJFWSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000658210575 411295360 /nfs/dbraw/zinc/29/53/60/411295360.db2.gz UQNFTEKTYPPZOY-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037643911 170015204 /nfs/dbraw/zinc/01/52/04/170015204.db2.gz WWMZEWSZOVWWOB-OAHLLOKOSA-N 2 0 243.354 1.990 20 30 BDEDRP C=C(C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653395 411613578 /nfs/dbraw/zinc/61/35/78/411613578.db2.gz QSOHYZDXALUERQ-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662159004 412012763 /nfs/dbraw/zinc/01/27/63/412012763.db2.gz WHJSDYCAYOFXPI-CQSZACIVSA-N 2 0 238.375 1.484 20 30 BDEDRP C=C(C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318160 412098685 /nfs/dbraw/zinc/09/86/85/412098685.db2.gz WOTUXHJALVDZQV-ZDUSSCGKSA-N 2 0 226.364 1.605 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000665263642 412202014 /nfs/dbraw/zinc/20/20/14/412202014.db2.gz QVULRVGDBMOBTR-STQMWFEESA-N 2 0 226.364 1.699 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665263766 412202702 /nfs/dbraw/zinc/20/27/02/412202702.db2.gz UHFJIHZWBWYQFQ-VXGBXAGGSA-N 2 0 212.337 1.309 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000665263212 412205540 /nfs/dbraw/zinc/20/55/40/412205540.db2.gz IMIOYECZWBDUNS-QWHCGFSZSA-N 2 0 226.364 1.686 20 30 BDEDRP C[NH+](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000045598308 172429753 /nfs/dbraw/zinc/42/97/53/172429753.db2.gz GEYRSDCWUYLHRI-UHFFFAOYSA-N 2 0 231.343 1.990 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293649 583639364 /nfs/dbraw/zinc/63/93/64/583639364.db2.gz IWBSSOXGGCCHIQ-RYUDHWBXSA-N 2 0 211.353 1.856 20 30 BDEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249324 326334828 /nfs/dbraw/zinc/33/48/28/326334828.db2.gz NNYMWAKFWJKPSV-GXTWGEPZSA-N 2 0 237.391 1.496 20 30 BDEDRP C=CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662299865 487546861 /nfs/dbraw/zinc/54/68/61/487546861.db2.gz YPAIEVQXIFIAGE-RYUDHWBXSA-N 2 0 212.337 1.119 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000341363176 534394304 /nfs/dbraw/zinc/39/43/04/534394304.db2.gz GKYMTCVIPWPTTD-ZDUSSCGKSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261689505 534844782 /nfs/dbraw/zinc/84/47/82/534844782.db2.gz BAHGCPWFOPVRFQ-VXGBXAGGSA-N 2 0 238.379 1.197 20 30 BDEDRP N#Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)o1 ZINC000135559936 582828026 /nfs/dbraw/zinc/82/80/26/582828026.db2.gz DFFSWDXPJAYQEB-UHFFFAOYSA-N 2 0 219.288 1.511 20 30 BDEDRP C=C(Cl)CN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122774843 583557169 /nfs/dbraw/zinc/55/71/69/583557169.db2.gz VQMKCLVYUFOFPH-ZJUUUORDSA-N 2 0 202.729 1.798 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000895209654 583626060 /nfs/dbraw/zinc/62/60/60/583626060.db2.gz XMWLIMAWVGGBFB-IYBDPMFKSA-N 2 0 242.366 1.968 20 30 BDEDRP CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203011778 583962268 /nfs/dbraw/zinc/96/22/68/583962268.db2.gz PCMBKOVEPPNKBI-DGCLKSJQSA-N 2 0 240.395 1.421 20 30 BDEDRP C[NH+]1CCC2(CCN2C[C@H](C#N)CCC#N)CC1 ZINC000899911059 584252773 /nfs/dbraw/zinc/25/27/73/584252773.db2.gz PFKJYEAQCSGWGU-ZDUSSCGKSA-N 2 0 246.358 1.600 20 30 BDEDRP CC(=NOCCC1CC1)c1c[nH]c(N)[nH+]1 ZINC000901245798 584408390 /nfs/dbraw/zinc/40/83/90/584408390.db2.gz NUHXZBPOVMZACA-UHFFFAOYSA-N 2 0 208.265 1.533 20 30 BDEDRP C[NH2+]C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903422679 584764606 /nfs/dbraw/zinc/76/46/06/584764606.db2.gz JCASFHLPNMGMNU-RUXDESIVSA-N 2 0 235.375 1.858 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903447433 584770678 /nfs/dbraw/zinc/77/06/78/584770678.db2.gz RZBMMXSNERRWEF-GFJIZPEISA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903455120 584773265 /nfs/dbraw/zinc/77/32/65/584773265.db2.gz QKENGUHOKOAHGI-WTIISPKJSA-N 2 0 221.348 1.738 20 30 BDEDRP C=CC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757718 584798593 /nfs/dbraw/zinc/79/85/93/584798593.db2.gz GIKBWEKOWZHBEI-KGLIPLIRSA-N 2 0 236.359 1.405 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1C[NH3+] ZINC000904411361 584879660 /nfs/dbraw/zinc/87/96/60/584879660.db2.gz UWFQWRAUCJFMDM-DOMZBBRYSA-N 2 0 243.354 1.975 20 30 BDEDRP N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904418976 584882380 /nfs/dbraw/zinc/88/23/80/584882380.db2.gz IQPMHYYGSGYJMB-LSDHHAIUSA-N 2 0 241.338 1.600 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917770 586840585 /nfs/dbraw/zinc/84/05/85/586840585.db2.gz HIICLJXQCCFGCX-VXGBXAGGSA-N 2 0 247.342 1.804 20 30 BDEDRP C#CCC[NH+]1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000827552182 587387734 /nfs/dbraw/zinc/38/77/34/587387734.db2.gz SHNXRMNVLUUTDI-UHFFFAOYSA-N 2 0 243.354 1.789 20 30 BDEDRP CC(C)[NH+](CCCNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000849010825 588435154 /nfs/dbraw/zinc/43/51/54/588435154.db2.gz MWGXKZHNGULXJW-GFCCVEGCSA-N 2 0 240.395 1.433 20 30 BDEDRP C#CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000852092318 588661508 /nfs/dbraw/zinc/66/15/08/588661508.db2.gz SVGHFXSRUCIZPH-CQSZACIVSA-N 2 0 236.359 1.054 20 30 BDEDRP CNC(NCCC1CC[NH+](C(C)C)CC1)=[NH+]C ZINC000864358079 589355551 /nfs/dbraw/zinc/35/55/51/589355551.db2.gz HIMVBLIETAIGNR-UHFFFAOYSA-N 2 0 240.395 1.292 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873256522 590011721 /nfs/dbraw/zinc/01/17/21/590011721.db2.gz NNYOSMYNLBSRBK-KKOKHZNYSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574284 590815043 /nfs/dbraw/zinc/81/50/43/590815043.db2.gz YZSWWTDFMJZRDL-CHWSQXEVSA-N 2 0 208.349 1.979 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000883390297 591641552 /nfs/dbraw/zinc/64/15/52/591641552.db2.gz JBZPZHWTIVTIHO-YNEHKIRRSA-N 2 0 238.375 1.528 20 30 BDEDRP C#CCCCC[NH2+]C1CC[NH+](CC)CC1 ZINC000132312042 591700768 /nfs/dbraw/zinc/70/07/68/591700768.db2.gz BARFRJCHYILSDS-UHFFFAOYSA-N 2 0 208.349 1.864 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000104179645 592603384 /nfs/dbraw/zinc/60/33/84/592603384.db2.gz AIOLHZQCOZOXHG-GFCCVEGCSA-N 2 0 240.395 1.279 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000893527948 634563967 /nfs/dbraw/zinc/56/39/67/634563967.db2.gz SSLSHQJAHKOMKJ-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000259874359 635264794 /nfs/dbraw/zinc/26/47/94/635264794.db2.gz CVYQREZYWKFPSG-ZDUSSCGKSA-N 2 0 235.375 1.954 20 30 BDEDRP C[C@H](C#N)C[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000892193333 631769796 /nfs/dbraw/zinc/76/97/96/631769796.db2.gz DLPKKTYANBWWOX-GFCCVEGCSA-N 2 0 235.375 1.952 20 30 BDEDRP CCCC[N@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000849005848 631907047 /nfs/dbraw/zinc/90/70/47/631907047.db2.gz XEGATCCOBXBAHL-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000308896418 633826420 /nfs/dbraw/zinc/82/64/20/633826420.db2.gz IZHQNVHVTGUJGQ-CYBMUJFWSA-N 2 0 206.333 1.427 20 30 BDEDRP C/[NH+]=C(/N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000429093478 636059692 /nfs/dbraw/zinc/05/96/92/636059692.db2.gz LIWFFJRMGNWZRQ-HUTFPVNGSA-N 2 0 238.379 1.094 20 30 BDEDRP C=CC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000904473891 637425320 /nfs/dbraw/zinc/42/53/20/637425320.db2.gz UZYMGLZTSJYIGN-LLVKDONJSA-N 2 0 249.362 1.257 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311322 640146865 /nfs/dbraw/zinc/14/68/65/640146865.db2.gz LZPREMUHIVXNPO-IHRRRGAJSA-N 2 0 238.375 1.197 20 30 BDEDRP C#CC[N@@H+](CCn1ccnc1C)C(C)C ZINC000932387748 640514878 /nfs/dbraw/zinc/51/48/78/640514878.db2.gz JTWZKHCYYIFQPK-UHFFFAOYSA-N 2 0 205.305 1.535 20 30 BDEDRP CN(C)C(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000170906365 640935867 /nfs/dbraw/zinc/93/58/67/640935867.db2.gz KAWJAORZYZDFAI-UHFFFAOYSA-N 2 0 226.368 1.127 20 30 BDEDRP C#C[C@@H](CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000229521397 640964146 /nfs/dbraw/zinc/96/41/46/640964146.db2.gz UKVCXJHHPNJJJS-LBPRGKRZSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000231800443 641206953 /nfs/dbraw/zinc/20/69/53/641206953.db2.gz LHWWSKPEXIXEHD-STQMWFEESA-N 2 0 226.364 1.686 20 30 BDEDRP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181305205 642861102 /nfs/dbraw/zinc/86/11/02/642861102.db2.gz YBHPAMSOFYONND-CHWSQXEVSA-N 2 0 208.349 1.862 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304762040 643590596 /nfs/dbraw/zinc/59/05/96/643590596.db2.gz VEKUKQKMJNRCJD-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP C=CCC[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000320589052 643757962 /nfs/dbraw/zinc/75/79/62/643757962.db2.gz YWIRNAVOPAPJIB-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP CCCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000198938008 644127274 /nfs/dbraw/zinc/12/72/74/644127274.db2.gz SPKQUFJBMBRKAC-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000923284482 644308762 /nfs/dbraw/zinc/30/87/62/644308762.db2.gz NSGAFCSHHWKZNV-AAEUAGOBSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000923294191 644330621 /nfs/dbraw/zinc/33/06/21/644330621.db2.gz FGGLLJHLBKMGEJ-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296456 644334830 /nfs/dbraw/zinc/33/48/30/644334830.db2.gz SDGDKVBBBCCXFB-VXGBXAGGSA-N 2 0 212.337 1.031 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923387949 644399125 /nfs/dbraw/zinc/39/91/25/644399125.db2.gz PDTOSEXNPPTRHL-RDBSUJKOSA-N 2 0 240.391 1.763 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387257 644399276 /nfs/dbraw/zinc/39/92/76/644399276.db2.gz HWVLSZOIWCAPQM-IHRRRGAJSA-N 2 0 238.375 1.374 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000303267811 644814004 /nfs/dbraw/zinc/81/40/04/644814004.db2.gz XUBWBVAZTCEUOQ-NSHDSACASA-N 2 0 238.379 1.174 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303365414 644818659 /nfs/dbraw/zinc/81/86/59/644818659.db2.gz GPGUHESUVATMJK-VXGBXAGGSA-N 2 0 242.411 1.666 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(NC1CC1)=[NH+]C ZINC000303408252 644822343 /nfs/dbraw/zinc/82/23/43/644822343.db2.gz TUWUDVFZDYLSLM-SNVBAGLBSA-N 2 0 226.368 1.044 20 30 BDEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCCCC1 ZINC000303691114 644838759 /nfs/dbraw/zinc/83/87/59/644838759.db2.gz AHFZBARYZWHOGN-UHFFFAOYSA-N 2 0 240.395 1.519 20 30 BDEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCCCC1 ZINC000303718247 644840821 /nfs/dbraw/zinc/84/08/21/644840821.db2.gz UXCATHAXGVCIFP-UHFFFAOYSA-N 2 0 240.395 1.375 20 30 BDEDRP CCCCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303770028 644844177 /nfs/dbraw/zinc/84/41/77/644844177.db2.gz BKZDUYCWZKEKNN-UHFFFAOYSA-N 2 0 226.368 1.177 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303869621 644851371 /nfs/dbraw/zinc/85/13/71/644851371.db2.gz FAHWOKNFLKFBKG-NSHDSACASA-N 2 0 226.368 1.031 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303880657 644854902 /nfs/dbraw/zinc/85/49/02/644854902.db2.gz KJLOCJZBKWRIRS-GFCCVEGCSA-N 2 0 240.395 1.420 20 30 BDEDRP CC(C)NC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303902963 644856309 /nfs/dbraw/zinc/85/63/09/644856309.db2.gz UISBEDOOYMBRIJ-UHFFFAOYSA-N 2 0 240.395 1.564 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000303896454 644856538 /nfs/dbraw/zinc/85/65/38/644856538.db2.gz QAOPFMSPWMERSY-LLVKDONJSA-N 2 0 228.384 1.421 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NCC(C)C)C(C)C ZINC000303977902 644862313 /nfs/dbraw/zinc/86/23/13/644862313.db2.gz LSGWSTSOTUORMF-UHFFFAOYSA-N 2 0 228.384 1.277 20 30 BDEDRP C[C@@H]1CCCN(C(=[NH2+])NCC[NH2+]C(C)(C)C)C1 ZINC000304740072 644929927 /nfs/dbraw/zinc/92/99/27/644929927.db2.gz BMKJRLRWSWVHSO-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925769423 646465239 /nfs/dbraw/zinc/46/52/39/646465239.db2.gz CQPUDRGECLOBSQ-HNGCFSAESA-N 2 0 224.348 1.186 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CCCC[NH3+] ZINC000925772372 646470868 /nfs/dbraw/zinc/47/08/68/646470868.db2.gz RWAPAVONLZGAAG-RYUDHWBXSA-N 2 0 214.353 1.421 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000925772370 646473563 /nfs/dbraw/zinc/47/35/63/646473563.db2.gz RWAPAVONLZGAAG-NEPJUHHUSA-N 2 0 214.353 1.421 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000925783274 646480047 /nfs/dbraw/zinc/48/00/47/646480047.db2.gz DUQZKXNIVJHEEY-NDBYEHHHSA-N 2 0 221.348 1.514 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000925803584 646488546 /nfs/dbraw/zinc/48/85/46/646488546.db2.gz RQPWWGRWYBRCFO-RQJABVFESA-N 2 0 235.375 1.904 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810000 646489997 /nfs/dbraw/zinc/48/99/97/646489997.db2.gz MMEQZYSEHWHHHY-OLZOCXBDSA-N 2 0 239.407 1.600 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC#N)C[C@@H]2C1 ZINC000389654592 711084783 /nfs/dbraw/zinc/08/47/83/711084783.db2.gz YEQAUEBTFUMIQS-NEPJUHHUSA-N 2 0 207.321 1.174 20 30 BDEDRP N#Cc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711508 711535566 /nfs/dbraw/zinc/53/55/66/711535566.db2.gz BMYMIGMWLRPAKL-LBPRGKRZSA-N 2 0 229.327 1.729 20 30 BDEDRP N#CC1CCC(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923480118 712334223 /nfs/dbraw/zinc/33/42/23/712334223.db2.gz VTMLUMNACPXVQF-JXQTWKCFSA-N 2 0 235.375 1.987 20 30 BDEDRP C=CC[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000715053689 712505414 /nfs/dbraw/zinc/50/54/14/712505414.db2.gz OAHWPBGVHQJECH-NSHDSACASA-N 2 0 200.326 1.119 20 30 BDEDRP C#CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716846032 712578234 /nfs/dbraw/zinc/57/82/34/712578234.db2.gz JXECIAGXRFTVNR-FUDCBSFHSA-N 2 0 236.359 1.240 20 30 BDEDRP C=C[C@@](C)(O)CN1CCC([N@@H+](C)CC)CC1 ZINC001252556066 968800979 /nfs/dbraw/zinc/80/09/79/968800979.db2.gz DITVQCGGDNPKSQ-CYBMUJFWSA-N 2 0 226.364 1.340 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001252586361 968840412 /nfs/dbraw/zinc/84/04/12/968840412.db2.gz ZOSREIDEFLVDCC-RUXDESIVSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252613335 968853760 /nfs/dbraw/zinc/85/37/60/968853760.db2.gz ZORKFOORZQHQSI-ZDUSSCGKSA-N 2 0 228.380 1.635 20 30 BDEDRP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)S)CC1 ZINC001254509316 969684352 /nfs/dbraw/zinc/68/43/52/969684352.db2.gz YROGANIHIYESSS-SNVBAGLBSA-N 2 0 216.394 1.769 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)S)CC1 ZINC001254509315 969682173 /nfs/dbraw/zinc/68/21/73/969682173.db2.gz YROGANIHIYESSS-JTQLQIEISA-N 2 0 216.394 1.769 20 30 BDEDRP C#CC1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254529802 969728513 /nfs/dbraw/zinc/72/85/13/969728513.db2.gz QVPVRQFKLXNYJL-AWEZNQCLSA-N 2 0 220.360 1.816 20 30 BDEDRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254676846 969784930 /nfs/dbraw/zinc/78/49/30/969784930.db2.gz OJTNEVQKVBGESK-CHWSQXEVSA-N 2 0 223.364 1.952 20 30 BDEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001255953853 970589543 /nfs/dbraw/zinc/58/95/43/970589543.db2.gz VWSLERQOMXIHHX-PNESKVBLSA-N 2 0 223.364 1.999 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277947925 979051695 /nfs/dbraw/zinc/05/16/95/979051695.db2.gz AOEBXGBFKHGPBW-UHFFFAOYSA-N 2 0 221.348 1.708 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cc(C)ns1 ZINC000404420273 971161155 /nfs/dbraw/zinc/16/11/55/971161155.db2.gz RKSBTAPIOZBEQB-UHFFFAOYSA-N 2 0 237.372 1.496 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405446412 971253998 /nfs/dbraw/zinc/25/39/98/971253998.db2.gz WTCBKSPSBPZGRC-VXGBXAGGSA-N 2 0 224.348 1.439 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405447309 971258777 /nfs/dbraw/zinc/25/87/77/971258777.db2.gz FTVOSJNJWOVANO-WOPDTQHZSA-N 2 0 224.348 1.173 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCCCC1CC[NH2+]CC1 ZINC001217833561 971426206 /nfs/dbraw/zinc/42/62/06/971426206.db2.gz XCGPOZOINNSCTO-AWEZNQCLSA-N 2 0 238.375 1.701 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217833278 971427531 /nfs/dbraw/zinc/42/75/31/971427531.db2.gz UCKBSRALSIDHEX-ZIAGYGMSSA-N 2 0 238.375 1.701 20 30 BDEDRP CCCCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001258041845 971566458 /nfs/dbraw/zinc/56/64/58/971566458.db2.gz AZMJFSLADTYBIL-VXGBXAGGSA-N 2 0 216.369 1.645 20 30 BDEDRP C=CC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172247129 974514894 /nfs/dbraw/zinc/51/48/94/974514894.db2.gz FTUIAWFNKKCLHU-UHFFFAOYSA-N 2 0 212.337 1.263 20 30 BDEDRP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(F)cn2)CC[NH2+]1 ZINC001246220178 972220485 /nfs/dbraw/zinc/22/04/85/972220485.db2.gz CBRDQBHZENISKJ-SCZZXKLOSA-N 2 0 236.294 1.067 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000689825928 958341537 /nfs/dbraw/zinc/34/15/37/958341537.db2.gz BENUFGHDEWDLAW-KBPBESRZSA-N 2 0 238.375 1.346 20 30 BDEDRP C#CCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000309056450 959573303 /nfs/dbraw/zinc/57/33/03/959573303.db2.gz UQNGTBVKFAOIOS-UHFFFAOYSA-N 2 0 208.349 1.862 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218206656 959890479 /nfs/dbraw/zinc/89/04/79/959890479.db2.gz MWMFRXONLADFFW-CQSZACIVSA-N 2 0 230.311 1.587 20 30 BDEDRP N#Cc1cnc(Cl)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001159779960 964196520 /nfs/dbraw/zinc/19/65/20/964196520.db2.gz MHTSHWPWZGADMJ-JTQLQIEISA-N 2 0 239.710 1.042 20 30 BDEDRP N#CCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC001162404997 964962546 /nfs/dbraw/zinc/96/25/46/964962546.db2.gz SHGNUIVCZYWXHO-PWSUYJOCSA-N 2 0 230.315 1.251 20 30 BDEDRP C=CC(NCC[C@@H]1CCC[N@H+](C)C1)=[NH+]COC ZINC001165273662 966016651 /nfs/dbraw/zinc/01/66/51/966016651.db2.gz TXYJBTVPDGIRHX-LBPRGKRZSA-N 2 0 239.363 1.496 20 30 BDEDRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)cc1C#N ZINC001205033832 967295171 /nfs/dbraw/zinc/29/51/71/967295171.db2.gz VLADMQSCBUMEFN-UHFFFAOYSA-N 2 0 232.331 1.067 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252602067 968860047 /nfs/dbraw/zinc/86/00/47/968860047.db2.gz KGIZQUALKWEPOO-ZDUSSCGKSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252615269 968873630 /nfs/dbraw/zinc/87/36/30/968873630.db2.gz YDVCNZCKYNOORY-CHWSQXEVSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252617650 968877992 /nfs/dbraw/zinc/87/79/92/968877992.db2.gz HSSAQHKMURNNCD-CYBMUJFWSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252625302 968886090 /nfs/dbraw/zinc/88/60/90/968886090.db2.gz VGOXWTOGVRDSHI-RWMBFGLXSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001253597674 969288352 /nfs/dbraw/zinc/28/83/52/969288352.db2.gz HJKRHHMUKCEHPY-CQSZACIVSA-N 2 0 234.343 1.385 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001253606589 969305807 /nfs/dbraw/zinc/30/58/07/969305807.db2.gz KIVPENNCYCLDAX-AWEZNQCLSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001209165626 969365319 /nfs/dbraw/zinc/36/53/19/969365319.db2.gz SWBBAOXXSZSNDQ-CHWSQXEVSA-N 2 0 208.349 1.836 20 30 BDEDRP C=CCCC[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001209165629 969369492 /nfs/dbraw/zinc/36/94/92/969369492.db2.gz SWBBAOXXSZSNDQ-STQMWFEESA-N 2 0 208.349 1.836 20 30 BDEDRP CC[NH+]1CCC([NH2+]CCCS)CC1 ZINC001169233486 969514118 /nfs/dbraw/zinc/51/41/18/969514118.db2.gz RMECCOUUDIZYNV-UHFFFAOYSA-N 2 0 202.367 1.380 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC001254557576 969736635 /nfs/dbraw/zinc/73/66/35/969736635.db2.gz SAWAOGKVYQHLLX-AWEZNQCLSA-N 2 0 249.358 1.859 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001254635591 969754394 /nfs/dbraw/zinc/75/43/94/969754394.db2.gz RMWAVTYQQCTXGK-YFKTTZPYSA-N 2 0 207.321 1.538 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001254635575 969754407 /nfs/dbraw/zinc/75/44/07/969754407.db2.gz RMWAVTYQQCTXGK-KXNHARMFSA-N 2 0 207.321 1.538 20 30 BDEDRP C[NH+]1CCC2(C[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC001254673286 969782139 /nfs/dbraw/zinc/78/21/39/969782139.db2.gz ICVIOMBEJCLLNE-CHWSQXEVSA-N 2 0 233.359 1.706 20 30 BDEDRP CC[C@@H](CC#N)N(CCC[NH3+])CCC[NH+](C)C ZINC001255157879 969965901 /nfs/dbraw/zinc/96/59/01/969965901.db2.gz YDPPQDSVSXKJDH-ZDUSSCGKSA-N 2 0 240.395 1.281 20 30 BDEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303886671 970541544 /nfs/dbraw/zinc/54/15/44/970541544.db2.gz NVUBCSSMQNXHCV-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCOCC[NH3+] ZINC001171180676 972816499 /nfs/dbraw/zinc/81/64/99/972816499.db2.gz CAUHOFVHNKJILV-LBPRGKRZSA-N 2 0 247.342 1.054 20 30 BDEDRP N#CC[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246798288 973105458 /nfs/dbraw/zinc/10/54/58/973105458.db2.gz QSTIIXMJPLWVHZ-ICIURTGMSA-N 2 0 233.359 1.895 20 30 BDEDRP C[C@H](CCCC#N)NC(=[NH2+])SCC[NH3+] ZINC001172480573 974781475 /nfs/dbraw/zinc/78/14/75/974781475.db2.gz VRXIJGQYJOXBAH-MRVPVSSYSA-N 2 0 214.338 1.285 20 30 BDEDRP C[C@@H](CCCC#N)[NH+]1CCC(C)([NH3+])CC1 ZINC001172484909 974788141 /nfs/dbraw/zinc/78/81/41/974788141.db2.gz JLHCQORNJLZBKV-NSHDSACASA-N 2 0 209.337 1.882 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+][C@H](CCCC)C1 ZINC001236135123 979404157 /nfs/dbraw/zinc/40/41/57/979404157.db2.gz OCXGXCYIZQPMMM-CYBMUJFWSA-N 2 0 225.380 1.226 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC001341632985 979499422 /nfs/dbraw/zinc/49/94/22/979499422.db2.gz ZOPUINPFVDYKLM-GFCCVEGCSA-N 2 0 241.379 1.128 20 30 BDEDRP C=CC[NH2+]CCN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604013 981175004 /nfs/dbraw/zinc/17/50/04/981175004.db2.gz UDQBGPRCMQRYJB-CHWSQXEVSA-N 2 0 225.380 1.069 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252576732 983831807 /nfs/dbraw/zinc/83/18/07/983831807.db2.gz NKZAFIFIXFYDRG-GFCCVEGCSA-N 2 0 214.353 1.101 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252615308 983850449 /nfs/dbraw/zinc/85/04/49/983850449.db2.gz YMJMQXQSOJYJET-CRWXNKLISA-N 2 0 238.375 1.528 20 30 BDEDRP C[N@H+](CCOc1ccccc1C#N)C1CC([NH3+])C1 ZINC001578476613 985110400 /nfs/dbraw/zinc/11/04/00/985110400.db2.gz DGFUJDQGSYCLPT-UHFFFAOYSA-N 2 0 245.326 1.359 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001579459521 985957813 /nfs/dbraw/zinc/95/78/13/985957813.db2.gz FUCRQQGROWYPFH-WYUUTHIRSA-N 2 0 207.321 1.124 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001579459519 985957904 /nfs/dbraw/zinc/95/79/04/985957904.db2.gz FUCRQQGROWYPFH-RHYQMDGZSA-N 2 0 207.321 1.124 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245980343 987255659 /nfs/dbraw/zinc/25/56/59/987255659.db2.gz NSTCRYAQALOIPY-RYUDHWBXSA-N 2 0 224.348 1.045 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979193 987256948 /nfs/dbraw/zinc/25/69/48/987256948.db2.gz IQYQOVNGMWFNTQ-STQMWFEESA-N 2 0 238.375 1.435 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246019740 987307558 /nfs/dbraw/zinc/30/75/58/987307558.db2.gz JSEDGZWHFCRQGV-CHWSQXEVSA-N 2 0 226.364 1.517 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035137 987338751 /nfs/dbraw/zinc/33/87/51/987338751.db2.gz ZJMWZXCAXUZAPH-QWHCGFSZSA-N 2 0 224.348 1.141 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246053793 987346058 /nfs/dbraw/zinc/34/60/58/987346058.db2.gz VCSPQXOHOFJANP-HZSPNIEDSA-N 2 0 238.375 1.245 20 30 BDEDRP CC1(C#N)CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246073356 987359849 /nfs/dbraw/zinc/35/98/49/987359849.db2.gz SEDJXMVYYPPYBR-UHFFFAOYSA-N 2 0 221.348 1.800 20 30 BDEDRP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246266865 987661675 /nfs/dbraw/zinc/66/16/75/987661675.db2.gz SWAXVOQRSRMDQD-WFASDCNBSA-N 2 0 228.339 1.898 20 30 BDEDRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246311453 987711025 /nfs/dbraw/zinc/71/10/25/987711025.db2.gz CUZIPSQWCSJIPS-FZMZJTMJSA-N 2 0 231.343 1.816 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@H]2CC23C[NH2+]C3)CC1 ZINC001246454037 987809701 /nfs/dbraw/zinc/80/97/01/987809701.db2.gz ZQSDEPRARKWDKL-CXQJBGSLSA-N 2 0 219.332 1.410 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246545754 987916549 /nfs/dbraw/zinc/91/65/49/987916549.db2.gz DABJLLCTYJAQHZ-AGIUHOORSA-N 2 0 239.338 1.832 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246555440 987966277 /nfs/dbraw/zinc/96/62/77/987966277.db2.gz FEXHKZXBRXEYMK-FRRDWIJNSA-N 2 0 223.364 1.985 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564156 988007492 /nfs/dbraw/zinc/00/74/92/988007492.db2.gz WBWHLAIZEPGEMH-STQMWFEESA-N 2 0 239.363 1.244 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC001320037522 992083328 /nfs/dbraw/zinc/08/33/28/992083328.db2.gz GWMRWMMDZPVUAN-CYBMUJFWSA-N 2 0 235.331 1.468 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000602546493 349589506 /nfs/dbraw/zinc/58/95/06/349589506.db2.gz DJCZJVJYAYGOQT-CHWSQXEVSA-N 2 0 223.364 1.858 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000381439956 539000786 /nfs/dbraw/zinc/00/07/86/539000786.db2.gz DTQRUWRAPFUQLQ-DGCLKSJQSA-N 2 0 226.364 1.243 20 30 BDEDRP C[C@H](CCC#N)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000602640260 349653022 /nfs/dbraw/zinc/65/30/22/349653022.db2.gz LJHABIFHGJJBNI-UPJWGTAASA-N 2 0 221.348 1.420 20 30 BDEDRP C[C@@H](C[NH3+])N(C)Cc1cccc(C#N)c1 ZINC000235113598 342986712 /nfs/dbraw/zinc/98/67/12/342986712.db2.gz IFBCCFFLVRXPAK-JTQLQIEISA-N 2 0 203.289 1.337 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252732853 343785670 /nfs/dbraw/zinc/78/56/70/343785670.db2.gz WVFKNJNGFQMWOL-VXGBXAGGSA-N 2 0 228.405 1.835 20 30 BDEDRP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000625704645 344049774 /nfs/dbraw/zinc/04/97/74/344049774.db2.gz ZFWZVPXBACERIF-CHWSQXEVSA-N 2 0 226.364 1.197 20 30 BDEDRP N#CCCOCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000590159161 346783102 /nfs/dbraw/zinc/78/31/02/346783102.db2.gz XWETUTIMCDZPDF-ZDUSSCGKSA-N 2 0 248.330 1.450 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(CC#N)cc1 ZINC000575181432 347348120 /nfs/dbraw/zinc/34/81/20/347348120.db2.gz CGWJLRFKHJZTGN-NWDGAFQWSA-N 2 0 231.343 1.968 20 30 BDEDRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C#N)c1 ZINC000591570996 347675871 /nfs/dbraw/zinc/67/58/71/347675871.db2.gz RMTOCLIVHQLILN-GHMZBOCLSA-N 2 0 229.327 1.817 20 30 BDEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000591578182 347677689 /nfs/dbraw/zinc/67/76/89/347677689.db2.gz LUKPMVBDSBSEJN-HNNXBMFYSA-N 2 0 241.338 1.745 20 30 BDEDRP N#Cc1cccc(CNCC23CC(C2)C[NH2+]3)c1 ZINC000596102558 348439723 /nfs/dbraw/zinc/43/97/23/348439723.db2.gz DEROKDMMHUXJOU-UHFFFAOYSA-N 2 0 227.311 1.400 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000336726974 351497127 /nfs/dbraw/zinc/49/71/27/351497127.db2.gz BWJYNNSFORRAPU-QWHCGFSZSA-N 2 0 228.380 1.755 20 30 BDEDRP CC[NH+]1CCC(NCc2cc(C#N)n(C)c2)CC1 ZINC000232314899 352618716 /nfs/dbraw/zinc/61/87/16/352618716.db2.gz NBGWVIHCFTZCLD-UHFFFAOYSA-N 2 0 246.358 1.471 20 30 BDEDRP C[NH+]1CCC2(CCCN(CC#N)C2)CC1 ZINC000366864870 354251976 /nfs/dbraw/zinc/25/19/76/354251976.db2.gz MHOVHTIYUYMBAR-UHFFFAOYSA-N 2 0 207.321 1.318 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422854484 192487436 /nfs/dbraw/zinc/48/74/36/192487436.db2.gz AVGLBJDXOKVPHT-GXTWGEPZSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681748 356592762 /nfs/dbraw/zinc/59/27/62/356592762.db2.gz DSXWIVFRRFBKJA-UHFFFAOYSA-N 2 0 217.316 1.780 20 30 BDEDRP C[NH+](C)CC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450266083 202114323 /nfs/dbraw/zinc/11/43/23/202114323.db2.gz NNNVZFYTCRXHQV-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C(C)[C@H](CO)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757476 356663943 /nfs/dbraw/zinc/66/39/43/356663943.db2.gz MNYCAIYDMTZCAX-ZDUSSCGKSA-N 2 0 238.375 1.341 20 30 BDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000167749125 134153636 /nfs/dbraw/zinc/15/36/36/134153636.db2.gz CBQSRKSYXUCCGI-NXEZZACHSA-N 2 0 218.728 1.096 20 30 BDEDRP C=CCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000352868302 134154850 /nfs/dbraw/zinc/15/48/50/134154850.db2.gz CVYQUAHSDMCVPY-CQSZACIVSA-N 2 0 237.391 1.274 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CC2 ZINC000423187577 192615551 /nfs/dbraw/zinc/61/55/51/192615551.db2.gz KWJLBFCJNKAKRX-ZDUSSCGKSA-N 2 0 215.300 1.484 20 30 BDEDRP C=CC[C@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628406189 357201681 /nfs/dbraw/zinc/20/16/81/357201681.db2.gz DLVQGIPSFDXNPN-LBPRGKRZSA-N 2 0 248.374 1.884 20 30 BDEDRP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248164089 359257058 /nfs/dbraw/zinc/25/70/58/359257058.db2.gz SPZGYZBEIGVFSE-STQMWFEESA-N 2 0 208.349 1.979 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423253566 200855762 /nfs/dbraw/zinc/85/57/62/200855762.db2.gz WFGCCXTWUMVSGF-UPJWGTAASA-N 2 0 221.348 1.658 20 30 BDEDRP C=CC[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629546506 361427459 /nfs/dbraw/zinc/42/74/59/361427459.db2.gz CZIBRLXVUTYXQM-OLZOCXBDSA-N 2 0 208.349 1.884 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000161881596 201214869 /nfs/dbraw/zinc/21/48/69/201214869.db2.gz QJWWQYBIRTYLEQ-QWHCGFSZSA-N 2 0 226.364 1.651 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000573677264 364889711 /nfs/dbraw/zinc/88/97/11/364889711.db2.gz VNGLHHAWSBHTHM-IYXRBSQSSA-N 2 0 248.374 1.892 20 30 BDEDRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600769097 369562597 /nfs/dbraw/zinc/56/25/97/369562597.db2.gz NUWAOHUMWUQWOJ-MNOVXSKESA-N 2 0 233.315 1.710 20 30 BDEDRP C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc(C#N)cc1 ZINC000601330775 369621583 /nfs/dbraw/zinc/62/15/83/369621583.db2.gz XCKXWTBELJAFPA-GXFFZTMASA-N 2 0 215.300 1.480 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214589 371144216 /nfs/dbraw/zinc/14/42/16/371144216.db2.gz OEVODFGXAHCWNZ-KBPBESRZSA-N 2 0 229.327 1.918 20 30 BDEDRP C[C@H]([NH2+]CCCC#N)C1CC[NH+](C)CC1 ZINC000389646141 371148572 /nfs/dbraw/zinc/14/85/72/371148572.db2.gz SXIJEXJFNYXWEG-NSHDSACASA-N 2 0 209.337 1.610 20 30 BDEDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000126872824 384195782 /nfs/dbraw/zinc/19/57/82/384195782.db2.gz VXDMVVACLATWQN-RISCZKNCSA-N 2 0 229.327 1.727 20 30 BDEDRP CC[N@H+](C)C[C@H]1CCN(CCCC#N)C1 ZINC000173882738 384276191 /nfs/dbraw/zinc/27/61/91/384276191.db2.gz HUEGTICBRRPZKZ-GFCCVEGCSA-N 2 0 209.337 1.564 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000173891114 384731965 /nfs/dbraw/zinc/73/19/65/384731965.db2.gz HITMBQXBGXZVIB-ZDUSSCGKSA-N 2 0 223.364 1.954 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309973705 384756259 /nfs/dbraw/zinc/75/62/59/384756259.db2.gz REBCERXJECLDBG-OLZOCXBDSA-N 2 0 219.332 1.530 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000104167156 384807748 /nfs/dbraw/zinc/80/77/48/384807748.db2.gz UKEIDRCMHNHRRA-LLVKDONJSA-N 2 0 226.368 1.197 20 30 BDEDRP COc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1C#N ZINC000414895129 384892101 /nfs/dbraw/zinc/89/21/01/384892101.db2.gz MKATYLBXVLQMRA-SNVBAGLBSA-N 2 0 233.315 1.394 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180457592 385391146 /nfs/dbraw/zinc/39/11/46/385391146.db2.gz ZQIXQBWANZPUMD-NEPJUHHUSA-N 2 0 228.405 1.978 20 30 BDEDRP C=CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954663 385495319 /nfs/dbraw/zinc/49/53/19/385495319.db2.gz FSJMBPGKOHZKBH-UHFFFAOYSA-N 2 0 225.380 1.132 20 30 BDEDRP CCN(CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489057 385618231 /nfs/dbraw/zinc/61/82/31/385618231.db2.gz WLLOIJMDBAWMPS-RYUDHWBXSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794232 385734800 /nfs/dbraw/zinc/73/48/00/385734800.db2.gz VOBRKQHTCBMFQX-RFQIPJPRSA-N 2 0 238.375 1.149 20 30 BDEDRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309625163 385754251 /nfs/dbraw/zinc/75/42/51/385754251.db2.gz GELXFWLQESWRNN-CHWSQXEVSA-N 2 0 221.348 1.610 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798761 385795128 /nfs/dbraw/zinc/79/51/28/385795128.db2.gz WQGLWOAQLDCUQA-KSTCHIGDSA-N 2 0 236.359 1.308 20 30 BDEDRP C#C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000123126385 386532603 /nfs/dbraw/zinc/53/26/03/386532603.db2.gz MPZDACANJMSSAC-GFCCVEGCSA-N 2 0 229.327 1.662 20 30 BDEDRP C=CCOCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645091318 386706437 /nfs/dbraw/zinc/70/64/37/386706437.db2.gz KQFUTFMZAOCRPI-UHFFFAOYSA-N 2 0 247.342 1.406 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422944269 387785652 /nfs/dbraw/zinc/78/56/52/387785652.db2.gz LFCWRZGWQHVIKB-VXGBXAGGSA-N 2 0 228.405 1.883 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422993645 387802367 /nfs/dbraw/zinc/80/23/67/387802367.db2.gz SWZAMIYNLLVNNL-QWHCGFSZSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CCSCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422949816 387807018 /nfs/dbraw/zinc/80/70/18/387807018.db2.gz WPURGPNFPBSPQD-ZJUUUORDSA-N 2 0 202.367 1.621 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106554 387891632 /nfs/dbraw/zinc/89/16/32/387891632.db2.gz ZZPFUAGSLHEKJE-MQYQWHSLSA-N 2 0 238.375 1.698 20 30 BDEDRP N#CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157910161 387883216 /nfs/dbraw/zinc/88/32/16/387883216.db2.gz GNWNTJWYAVOPLN-NWDGAFQWSA-N 2 0 207.321 1.507 20 30 BDEDRP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCC[NH2+]1 ZINC000423164342 387948886 /nfs/dbraw/zinc/94/88/86/387948886.db2.gz WVUWWQFDUYZRKJ-MROQNXINSA-N 2 0 221.348 1.799 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000423172781 387959175 /nfs/dbraw/zinc/95/91/75/387959175.db2.gz VFMSIGWUSFNTCQ-NEPJUHHUSA-N 2 0 223.364 1.904 20 30 BDEDRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424373343 387995923 /nfs/dbraw/zinc/99/59/23/387995923.db2.gz XRAAHQNISVQELT-WUHRBBMRSA-N 2 0 221.348 1.799 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000108489136 388586218 /nfs/dbraw/zinc/58/62/18/388586218.db2.gz SBHZFQHGZNMYGU-BFHYXJOUSA-N 2 0 240.391 1.897 20 30 BDEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000422967507 388686821 /nfs/dbraw/zinc/68/68/21/388686821.db2.gz CCBXBNTXBKXDOU-WDEREUQCSA-N 2 0 229.327 1.817 20 30 BDEDRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1C#N ZINC000423129025 388688748 /nfs/dbraw/zinc/68/87/48/388688748.db2.gz WKLASQHWTWHFRK-WDEREUQCSA-N 2 0 247.342 1.782 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423225224 388690323 /nfs/dbraw/zinc/69/03/23/388690323.db2.gz LUPMTJBZIPPFTH-HZMBPMFUSA-N 2 0 229.327 1.872 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423306816 388690964 /nfs/dbraw/zinc/69/09/64/388690964.db2.gz MAMFRXAXHZDIMZ-ZJUUUORDSA-N 2 0 235.306 1.943 20 30 BDEDRP C=CC[N@@H+](CCOC)CC1CC[NH2+]CC1 ZINC000234681730 134384912 /nfs/dbraw/zinc/38/49/12/134384912.db2.gz TUBUVZRRBJMLPR-UHFFFAOYSA-N 2 0 212.337 1.120 20 30 BDEDRP C=CCC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337230850 135007742 /nfs/dbraw/zinc/00/77/42/135007742.db2.gz TXNNOWVRMBQGBA-AWEZNQCLSA-N 2 0 240.391 1.731 20 30 BDEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC)c1 ZINC000264124940 135134518 /nfs/dbraw/zinc/13/45/18/135134518.db2.gz VZSDWIZFBREDFQ-UHFFFAOYSA-N 2 0 234.347 1.172 20 30 BDEDRP C=CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261559011 135199434 /nfs/dbraw/zinc/19/94/34/135199434.db2.gz YTFZLPWAHALYQY-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262002044 135271339 /nfs/dbraw/zinc/27/13/39/135271339.db2.gz PYQFGKWHCKTNHD-LBPRGKRZSA-N 2 0 240.395 1.198 20 30 BDEDRP C/[NH+]=C(\N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262457076 135300168 /nfs/dbraw/zinc/30/01/68/135300168.db2.gz LIWFFJRMGNWZRQ-FWJVZWRSSA-N 2 0 238.379 1.094 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CCCCC2)N1 ZINC000262640675 135310075 /nfs/dbraw/zinc/31/00/75/135310075.db2.gz HRYRFZGTRKSYPQ-LLVKDONJSA-N 2 0 238.379 1.188 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)C[NH+]2CCCC2)N1 ZINC000262683666 135313088 /nfs/dbraw/zinc/31/30/88/135313088.db2.gz XKLIUFDINPAJII-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C[C@@H](CCCC#N)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172499926 974852080 /nfs/dbraw/zinc/85/20/80/974852080.db2.gz GVKWKLXWRRQPQY-RWMBFGLXSA-N 2 0 221.348 1.562 20 30 BDEDRP C#CC[NH+](CCCC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000274226307 166169907 /nfs/dbraw/zinc/16/99/07/166169907.db2.gz VWBWGFRKYMHVOT-UHFFFAOYSA-N 2 0 244.382 1.962 20 30 BDEDRP C=CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360129 411217680 /nfs/dbraw/zinc/21/76/80/411217680.db2.gz BDEXBCOJNDCVHY-YNEHKIRRSA-N 2 0 224.348 1.533 20 30 BDEDRP C=CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360126 411218156 /nfs/dbraw/zinc/21/81/56/411218156.db2.gz BDEXBCOJNDCVHY-JHJVBQTASA-N 2 0 224.348 1.533 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000310183821 411219320 /nfs/dbraw/zinc/21/93/20/411219320.db2.gz UVRRDIKRLGGZDW-MJBXVCDLSA-N 2 0 238.375 1.699 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000037643897 170015747 /nfs/dbraw/zinc/01/57/47/170015747.db2.gz MYZCOVOGOMSUDL-OAHLLOKOSA-N 2 0 243.354 1.990 20 30 BDEDRP C=CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662147850 412009068 /nfs/dbraw/zinc/00/90/68/412009068.db2.gz HDWGWQCHZVTUDU-CYBMUJFWSA-N 2 0 224.348 1.094 20 30 BDEDRP C=CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665237557 412178240 /nfs/dbraw/zinc/17/82/40/412178240.db2.gz DIBITEKURIKOSQ-FRRDWIJNSA-N 2 0 224.348 1.309 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665263892 412206787 /nfs/dbraw/zinc/20/67/87/412206787.db2.gz XMQKFDVDZWKGLA-QWHCGFSZSA-N 2 0 226.364 1.829 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@]1(C)C[NH3+] ZINC000335538880 176304076 /nfs/dbraw/zinc/30/40/76/176304076.db2.gz OJICDNAXISGTTQ-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP C=CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361681 487932928 /nfs/dbraw/zinc/93/29/28/487932928.db2.gz MIFSHPYJNVSQIQ-MGPQQGTHSA-N 2 0 238.375 1.923 20 30 BDEDRP C#CC[N@@H+](C)CCCNC1CC[NH+](CC)CC1 ZINC000328262211 324340094 /nfs/dbraw/zinc/34/00/94/324340094.db2.gz LPYRNIZKAYRVJW-UHFFFAOYSA-N 2 0 237.391 1.015 20 30 BDEDRP N#Cc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000132180520 325203721 /nfs/dbraw/zinc/20/37/21/325203721.db2.gz OZCPVLWGQZOGKT-AWEZNQCLSA-N 2 0 229.327 1.647 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000320214084 488092319 /nfs/dbraw/zinc/09/23/19/488092319.db2.gz FVVQPIFFCVWSBJ-GXTWGEPZSA-N 2 0 240.391 1.633 20 30 BDEDRP COCC#CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000677820218 487518423 /nfs/dbraw/zinc/51/84/23/487518423.db2.gz JJAZMCJPQIJYCJ-UONOGXRCSA-N 2 0 236.359 1.052 20 30 BDEDRP C=CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125652474 490439827 /nfs/dbraw/zinc/43/98/27/490439827.db2.gz VUDDVJBHSHMRMJ-UHFFFAOYSA-N 2 0 216.328 1.950 20 30 BDEDRP C=CCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367848785 534720828 /nfs/dbraw/zinc/72/08/28/534720828.db2.gz LAVGAOPDMPVLRS-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000339020852 534879097 /nfs/dbraw/zinc/87/90/97/534879097.db2.gz IZSHNERLDOBNOO-ZIAGYGMSSA-N 2 0 238.375 1.605 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000339011637 534879107 /nfs/dbraw/zinc/87/91/07/534879107.db2.gz BZAQORRKQBCYMH-ZDUSSCGKSA-N 2 0 226.364 1.463 20 30 BDEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000893677373 583196160 /nfs/dbraw/zinc/19/61/60/583196160.db2.gz SIYFMXQYRAUEKT-KGLIPLIRSA-N 2 0 236.359 1.099 20 30 BDEDRP C#CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852104360 583003239 /nfs/dbraw/zinc/00/32/39/583003239.db2.gz ABCPKYJTXLZOFX-CYBMUJFWSA-N 2 0 206.333 1.427 20 30 BDEDRP Cc1cccc(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000104152802 583108949 /nfs/dbraw/zinc/10/89/49/583108949.db2.gz NSHZBJCWPJWBJC-UHFFFAOYSA-N 2 0 234.347 1.673 20 30 BDEDRP CCCCCCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000104191680 583162799 /nfs/dbraw/zinc/16/27/99/583162799.db2.gz AJVDDWLJTAHXBR-UHFFFAOYSA-N 2 0 242.411 1.811 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370672 584566376 /nfs/dbraw/zinc/56/63/76/584566376.db2.gz MMYDVGCARFWLNG-QWHCGFSZSA-N 2 0 240.391 1.539 20 30 BDEDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(C#N)cs1 ZINC000902445171 584598935 /nfs/dbraw/zinc/59/89/35/584598935.db2.gz KSKYGAYIXWRUPC-VIFPVBQESA-N 2 0 238.360 1.622 20 30 BDEDRP C[C@H](NCC1([NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000902414544 584600330 /nfs/dbraw/zinc/60/03/30/584600330.db2.gz WYVALRPHGXWTTB-NSHDSACASA-N 2 0 245.326 1.731 20 30 BDEDRP C=CC[NH+](CC=C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716846 584791985 /nfs/dbraw/zinc/79/19/85/584791985.db2.gz CRCTUJASVPKPQV-UONOGXRCSA-N 2 0 236.359 1.429 20 30 BDEDRP CO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771551079 585595881 /nfs/dbraw/zinc/59/58/81/585595881.db2.gz PVZNOMFRIACUBZ-UHFFFAOYSA-N 2 0 233.315 1.419 20 30 BDEDRP CC(C)C[N@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000849047451 588450830 /nfs/dbraw/zinc/45/08/30/588450830.db2.gz WUEKZWUVIMFLPN-UHFFFAOYSA-N 2 0 242.411 1.444 20 30 BDEDRP C#CC(C)(C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851986271 588651968 /nfs/dbraw/zinc/65/19/68/588651968.db2.gz GXCJKKHGHWFKCQ-GFCCVEGCSA-N 2 0 226.364 1.031 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274740 590016943 /nfs/dbraw/zinc/01/69/43/590016943.db2.gz FVXNBGNEXYBVIW-RWSFTLGLSA-N 2 0 243.354 1.741 20 30 BDEDRP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1C[NH2+]C1 ZINC000873276905 590017666 /nfs/dbraw/zinc/01/76/66/590017666.db2.gz YNLDXKXRTGFYNQ-MEBBXXQBSA-N 2 0 241.338 1.223 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC(CC)(CC)C[NH3+] ZINC000876529480 590209785 /nfs/dbraw/zinc/20/97/85/590209785.db2.gz DWRHMURFXYGJDI-VIFPVBQESA-N 2 0 247.770 1.090 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC000876859605 590250616 /nfs/dbraw/zinc/25/06/16/590250616.db2.gz JMMJKYMKOXZJFY-SECBINFHSA-N 2 0 247.770 1.090 20 30 BDEDRP C=CCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879574285 590813537 /nfs/dbraw/zinc/81/35/37/590813537.db2.gz YZSWWTDFMJZRDL-OLZOCXBDSA-N 2 0 208.349 1.979 20 30 BDEDRP C=CCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574287 590815522 /nfs/dbraw/zinc/81/55/22/590815522.db2.gz YZSWWTDFMJZRDL-STQMWFEESA-N 2 0 208.349 1.979 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000883390270 591641048 /nfs/dbraw/zinc/64/10/48/591641048.db2.gz IRKPUBUKIIWYAA-SCRDCRAPSA-N 2 0 238.375 1.386 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883393097 591645169 /nfs/dbraw/zinc/64/51/69/591645169.db2.gz VWCCGRWGZMETEB-CHWSQXEVSA-N 2 0 240.391 1.776 20 30 BDEDRP C[NH+](CC#CC[N@H+](C)CCCF)CCCF ZINC000887141208 592456605 /nfs/dbraw/zinc/45/66/05/592456605.db2.gz JXDWFIRKIYMGDD-UHFFFAOYSA-N 2 0 232.318 1.573 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC2(C#N)CCC2)CC1 ZINC000259030830 635232781 /nfs/dbraw/zinc/23/27/81/635232781.db2.gz ZNCVPQWORKESIZ-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP CC(C)[NH+](CCCNC(=[NH2+])N(C)C)C(C)C ZINC000178587437 635535131 /nfs/dbraw/zinc/53/51/31/635535131.db2.gz FGUTUGMTMZHHES-UHFFFAOYSA-N 2 0 228.384 1.372 20 30 BDEDRP C=CCOCC[NH2+]CC1CC[NH+](C)CC1 ZINC000308783095 631645973 /nfs/dbraw/zinc/64/59/73/631645973.db2.gz DQLFQTNPUHONNW-UHFFFAOYSA-N 2 0 212.337 1.120 20 30 BDEDRP CCNC(NC[C@H]1CCC[N@@H+]1CC)=[NH+]CC ZINC000066244973 632860080 /nfs/dbraw/zinc/86/00/80/632860080.db2.gz WGBZLBBUHSJXBK-LLVKDONJSA-N 2 0 226.368 1.046 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925683612 634287929 /nfs/dbraw/zinc/28/79/29/634287929.db2.gz TXLHCCBADCBVBM-RHYQMDGZSA-N 2 0 222.332 1.189 20 30 BDEDRP C[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)C#N ZINC000258883600 635216770 /nfs/dbraw/zinc/21/67/70/635216770.db2.gz ILEWHMNVWQWRMT-UHFFFAOYSA-N 2 0 223.364 1.810 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303895364 636315450 /nfs/dbraw/zinc/31/54/50/636315450.db2.gz PJROQXURQIOYTK-GFCCVEGCSA-N 2 0 240.395 1.375 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000911726780 639753887 /nfs/dbraw/zinc/75/38/87/639753887.db2.gz HEBXWBZTHOZWNF-MCIGGMRASA-N 2 0 239.363 1.056 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CCCC ZINC000911879113 639865251 /nfs/dbraw/zinc/86/52/51/639865251.db2.gz CRCUVSVBLCJHSA-VXGBXAGGSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000911879112 639865492 /nfs/dbraw/zinc/86/54/92/639865492.db2.gz CRCUVSVBLCJHSA-RYUDHWBXSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931438074 640203558 /nfs/dbraw/zinc/20/35/58/640203558.db2.gz ZAFXUFCFAZKKKY-RDBSUJKOSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481615 640234197 /nfs/dbraw/zinc/23/41/97/640234197.db2.gz VDPGTLGJNULFHF-UHFFFAOYSA-N 2 0 240.391 1.731 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000231801154 641205109 /nfs/dbraw/zinc/20/51/09/641205109.db2.gz SUMKWDBXKFRRRN-VXGBXAGGSA-N 2 0 212.337 1.296 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181098117 642837694 /nfs/dbraw/zinc/83/76/94/642837694.db2.gz UZKLIQCQLBKXIM-VXGBXAGGSA-N 2 0 226.389 1.425 20 30 BDEDRP C=CCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181378228 642866502 /nfs/dbraw/zinc/86/65/02/642866502.db2.gz AIIBCKJIECOWLI-GFCCVEGCSA-N 2 0 238.379 1.341 20 30 BDEDRP C=CC[NH+](CC=C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299000 644326306 /nfs/dbraw/zinc/32/63/06/644326306.db2.gz HCOHADYXVHOFBF-LBPRGKRZSA-N 2 0 222.332 1.039 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352832 644369937 /nfs/dbraw/zinc/36/99/37/644369937.db2.gz FUWJXMXTIIIZDY-STQMWFEESA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494477 644470624 /nfs/dbraw/zinc/47/06/24/644470624.db2.gz XWDBSRJORVDEJR-UPJWGTAASA-N 2 0 226.364 1.230 20 30 BDEDRP CCNC(NC[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000303251428 644812041 /nfs/dbraw/zinc/81/20/41/644812041.db2.gz ALWCOLDYPWHCBM-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000303267809 644815538 /nfs/dbraw/zinc/81/55/38/644815538.db2.gz XUBWBVAZTCEUOQ-LLVKDONJSA-N 2 0 238.379 1.174 20 30 BDEDRP C[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)NC1CC1 ZINC000303408357 644821766 /nfs/dbraw/zinc/82/17/66/644821766.db2.gz UCIVJJANUURYBQ-LLVKDONJSA-N 2 0 238.379 1.188 20 30 BDEDRP Cc1cc(C)cc(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000303703622 644839337 /nfs/dbraw/zinc/83/93/37/644839337.db2.gz JRDRBOOYQGAKRV-UHFFFAOYSA-N 2 0 248.374 1.982 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303773190 644844161 /nfs/dbraw/zinc/84/41/61/644844161.db2.gz FFSFCWSMAWHSKK-NSHDSACASA-N 2 0 228.384 1.277 20 30 BDEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC(C)C)[NH+](C)C ZINC000303776266 644844844 /nfs/dbraw/zinc/84/48/44/644844844.db2.gz HUCKGLIZPVCUIO-GFCCVEGCSA-N 2 0 242.411 1.666 20 30 BDEDRP CC(C)NC(=[NH2+])NCCCCCCC[NH+](C)C ZINC000303867955 644851198 /nfs/dbraw/zinc/85/11/98/644851198.db2.gz DFKTZUZSLKOITB-UHFFFAOYSA-N 2 0 242.411 1.811 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303875131 644852932 /nfs/dbraw/zinc/85/29/32/644852932.db2.gz HLXRWSQIAWJSRA-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[N@H+](CCNC(=[NH2+])NC(C)C)C(C)C ZINC000303979729 644862942 /nfs/dbraw/zinc/86/29/42/644862942.db2.gz NLKFSXPTJFWFMO-UHFFFAOYSA-N 2 0 214.357 1.029 20 30 BDEDRP CCNC(NC[C@@H]1CCCC[N@@H+]1CC)=[NH+]CC ZINC000304062513 644868137 /nfs/dbraw/zinc/86/81/37/644868137.db2.gz QRAGQZWBOPAUAR-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000304753019 644928946 /nfs/dbraw/zinc/92/89/46/644928946.db2.gz KSHVGIWINCEBIK-LBPRGKRZSA-N 2 0 240.395 1.517 20 30 BDEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCC1CCC1 ZINC000304739948 644929616 /nfs/dbraw/zinc/92/96/16/644929616.db2.gz BKODGLQHCHZRJU-UHFFFAOYSA-N 2 0 226.368 1.079 20 30 BDEDRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC#N)C[C@H]1C ZINC000929779739 646309603 /nfs/dbraw/zinc/30/96/03/646309603.db2.gz IISMKSXGLPIBMF-FRRDWIJNSA-N 2 0 239.363 1.066 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925609533 646360896 /nfs/dbraw/zinc/36/08/96/646360896.db2.gz VRKWEYOAKPEQBS-LLVKDONJSA-N 2 0 207.321 1.554 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925630166 646376188 /nfs/dbraw/zinc/37/61/88/646376188.db2.gz NVGSEAGHQDELDW-YNEHKIRRSA-N 2 0 240.391 1.667 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925769425 646464331 /nfs/dbraw/zinc/46/43/31/646464331.db2.gz CQPUDRGECLOBSQ-ZGVCCVRISA-N 2 0 224.348 1.186 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925769505 646470750 /nfs/dbraw/zinc/47/07/50/646470750.db2.gz FGMLXDGBBIFTFS-IJLUTSLNSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000925772373 646471415 /nfs/dbraw/zinc/47/14/15/646471415.db2.gz RWAPAVONLZGAAG-VXGBXAGGSA-N 2 0 214.353 1.421 20 30 BDEDRP C=CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382072586 710773051 /nfs/dbraw/zinc/77/30/51/710773051.db2.gz SLSPEZMPKDQZAE-QSLWVIQJSA-N 2 0 220.360 1.929 20 30 BDEDRP C[C@H](C#N)OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000383044268 710868976 /nfs/dbraw/zinc/86/89/76/710868976.db2.gz IEXGVBAPRXRYNY-GFCCVEGCSA-N 2 0 239.363 1.189 20 30 BDEDRP CCNC(NC[C@@H](C)[NH+]1CCCCC1)=[NH+]CC ZINC000395969235 711218999 /nfs/dbraw/zinc/21/89/99/711218999.db2.gz MGAQBDIXERHALW-GFCCVEGCSA-N 2 0 240.395 1.436 20 30 BDEDRP C#CCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000178061805 711904430 /nfs/dbraw/zinc/90/44/30/711904430.db2.gz IIJOIRCUZGRKAY-UHFFFAOYSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000715051871 712505368 /nfs/dbraw/zinc/50/53/68/712505368.db2.gz FHOGEZBMCIMYBC-UPJWGTAASA-N 2 0 208.349 1.882 20 30 BDEDRP C=CCC[C@H](CO)[NH2+]CC1CC[NH+](CC)CC1 ZINC001205789784 967821730 /nfs/dbraw/zinc/82/17/30/967821730.db2.gz UFWGUOBXFNUIHB-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C(C)(C)C ZINC001253191539 969104947 /nfs/dbraw/zinc/10/49/47/969104947.db2.gz BPARLIBRNUTOSB-CYBMUJFWSA-N 2 0 242.407 1.976 20 30 BDEDRP C=CCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001209165625 969366149 /nfs/dbraw/zinc/36/61/49/969366149.db2.gz SWBBAOXXSZSNDQ-BETUJISGSA-N 2 0 208.349 1.836 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCCCCCCC[NH3+] ZINC001217831262 971423638 /nfs/dbraw/zinc/42/36/38/971423638.db2.gz FUTVXSNIZQRNBJ-ZDUSSCGKSA-N 2 0 226.364 1.830 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccccc1C[NH3+] ZINC001218206672 971626274 /nfs/dbraw/zinc/62/62/74/971626274.db2.gz DYQXJVXKMRBEAG-CYBMUJFWSA-N 2 0 218.300 1.442 20 30 BDEDRP C=CCc1cc(C)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170898517 972055506 /nfs/dbraw/zinc/05/55/06/972055506.db2.gz OUOHMFSEDCFGRZ-LBPRGKRZSA-N 2 0 234.347 1.554 20 30 BDEDRP N#Cc1ccc(Cl)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170905152 972081159 /nfs/dbraw/zinc/08/11/59/972081159.db2.gz SXKYBMHKJCIUGK-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246442729 972315613 /nfs/dbraw/zinc/31/56/13/972315613.db2.gz DQGOFENAKABEHE-FZMZJTMJSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC(C)(C)C[NH3+] ZINC001217934629 959787356 /nfs/dbraw/zinc/78/73/56/959787356.db2.gz YFRLOPZAURGUST-VXGBXAGGSA-N 2 0 226.364 1.685 20 30 BDEDRP C=CCCCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492400 972520972 /nfs/dbraw/zinc/52/09/72/972520972.db2.gz WSEKSCGATGRHSW-KBPBESRZSA-N 2 0 237.391 1.369 20 30 BDEDRP C[NH+]1CCC(O[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001222504769 972529611 /nfs/dbraw/zinc/52/96/11/972529611.db2.gz YZTKWZNNEIRRGM-CYBMUJFWSA-N 2 0 240.371 1.086 20 30 BDEDRP N#CCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC001162404996 964963799 /nfs/dbraw/zinc/96/37/99/964963799.db2.gz SHGNUIVCZYWXHO-JQWIXIFHSA-N 2 0 230.315 1.251 20 30 BDEDRP C#C[C@H](C)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001163161334 965275815 /nfs/dbraw/zinc/27/58/15/965275815.db2.gz YHNPJZZFNHFPLJ-NSHDSACASA-N 2 0 244.342 1.443 20 30 BDEDRP CC(C)[N@@H+](C#C[Si](C)(C)C)CCC[NH3+] ZINC001164122657 965746697 /nfs/dbraw/zinc/74/66/97/965746697.db2.gz MGCSQSFFMNYRDO-UHFFFAOYSA-N 2 0 212.413 1.884 20 30 BDEDRP C#Cc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205189660 966793161 /nfs/dbraw/zinc/79/31/61/966793161.db2.gz GORDOTVIFLZJGF-BXUZGUMPSA-N 2 0 214.312 1.589 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094154 967342768 /nfs/dbraw/zinc/34/27/68/967342768.db2.gz JETKDHXEGYMPGQ-HNNXBMFYSA-N 2 0 243.354 1.914 20 30 BDEDRP C#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205110772 967357034 /nfs/dbraw/zinc/35/70/34/967357034.db2.gz ZWKLQXKOSPPCHT-HNNXBMFYSA-N 2 0 228.339 1.981 20 30 BDEDRP C#Cc1cccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205190955 967417857 /nfs/dbraw/zinc/41/78/57/967417857.db2.gz SNBRLUXJDXIEIZ-BXUZGUMPSA-N 2 0 214.312 1.589 20 30 BDEDRP C=CCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205665800 967753390 /nfs/dbraw/zinc/75/33/90/967753390.db2.gz VNCHRPUCHIMFOA-ZDUSSCGKSA-N 2 0 226.364 1.518 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252571964 968822243 /nfs/dbraw/zinc/82/22/43/968822243.db2.gz LRCGXRTYKVGBCZ-ZDUSSCGKSA-N 2 0 226.364 1.389 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001252578959 968831155 /nfs/dbraw/zinc/83/11/55/968831155.db2.gz IKAUAGVQUIPZOD-AWEZNQCLSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252618110 968877412 /nfs/dbraw/zinc/87/74/12/968877412.db2.gz PBCUMQNZBFRKKD-AWEZNQCLSA-N 2 0 240.391 1.779 20 30 BDEDRP C#CC1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208612040 969172212 /nfs/dbraw/zinc/17/22/12/969172212.db2.gz ABMGBFKYWNWLSR-AWEZNQCLSA-N 2 0 220.360 1.673 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001253600877 969294132 /nfs/dbraw/zinc/29/41/32/969294132.db2.gz GYDAJYJROKDKLH-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001253601341 969296125 /nfs/dbraw/zinc/29/61/25/969296125.db2.gz PGAMTRNANHTDKB-QWHCGFSZSA-N 2 0 228.380 1.633 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001253601340 969297610 /nfs/dbraw/zinc/29/76/10/969297610.db2.gz PGAMTRNANHTDKB-OLZOCXBDSA-N 2 0 228.380 1.633 20 30 BDEDRP C=C[C@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001253607016 969306327 /nfs/dbraw/zinc/30/63/27/969306327.db2.gz QJDQGAHGSXARME-AWEZNQCLSA-N 2 0 240.391 1.491 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC001254557589 969737112 /nfs/dbraw/zinc/73/71/12/969737112.db2.gz SAWAOGKVYQHLLX-CQSZACIVSA-N 2 0 249.358 1.859 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC001254635590 969752526 /nfs/dbraw/zinc/75/25/26/969752526.db2.gz RMWAVTYQQCTXGK-WRWGMCAJSA-N 2 0 207.321 1.538 20 30 BDEDRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254643495 969758761 /nfs/dbraw/zinc/75/87/61/969758761.db2.gz LLQXEBXQZRJAAH-NEPJUHHUSA-N 2 0 223.364 1.999 20 30 BDEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254673731 969782050 /nfs/dbraw/zinc/78/20/50/969782050.db2.gz NWBARHVXAJJCSI-RFQIPJPRSA-N 2 0 233.359 1.562 20 30 BDEDRP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001255470863 970199112 /nfs/dbraw/zinc/19/91/12/970199112.db2.gz UDSOSSUXAHJXNM-JTQLQIEISA-N 2 0 236.294 1.020 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001246863915 973189304 /nfs/dbraw/zinc/18/93/04/973189304.db2.gz SSUUKAWBIHWSSR-WISYIIOYSA-N 2 0 205.305 1.102 20 30 BDEDRP CC[N@@H+]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC001329225188 973582632 /nfs/dbraw/zinc/58/26/32/973582632.db2.gz GCSNWSCQQKTNNQ-GFCCVEGCSA-N 2 0 240.395 1.198 20 30 BDEDRP COc1cc(CN2CC[C@H](C[NH3+])C2)ccc1C#N ZINC000235000902 973796892 /nfs/dbraw/zinc/79/68/92/973796892.db2.gz GESPZJPJETYLHH-GFCCVEGCSA-N 2 0 245.326 1.347 20 30 BDEDRP C[N+](C)(C)CCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224622476 973805729 /nfs/dbraw/zinc/80/57/29/973805729.db2.gz GYMGSRLDEYHHKR-CYBMUJFWSA-N 2 0 243.395 1.088 20 30 BDEDRP C=CCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578891 973866326 /nfs/dbraw/zinc/86/63/26/973866326.db2.gz XGJPRHGWZGXGFO-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CC[N@@H+](C)C1CCN(CCCOC)CC1 ZINC001172256419 974513932 /nfs/dbraw/zinc/51/39/32/974513932.db2.gz VVSBFEDCQNDETC-UHFFFAOYSA-N 2 0 226.364 1.605 20 30 BDEDRP C[C@H](CCCC#N)[NH+]1CCN(CCC[NH3+])CC1 ZINC001172486358 974790630 /nfs/dbraw/zinc/79/06/30/974790630.db2.gz BDXMKIBCHUMTBF-CYBMUJFWSA-N 2 0 238.379 1.035 20 30 BDEDRP C[C@H](CCCC#N)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172499928 974851725 /nfs/dbraw/zinc/85/17/25/974851725.db2.gz GVKWKLXWRRQPQY-UPJWGTAASA-N 2 0 221.348 1.562 20 30 BDEDRP Cc1ccccc1NC(=[NH2+])NCCC[NH+](C)C ZINC000170905080 975009582 /nfs/dbraw/zinc/00/95/82/975009582.db2.gz TXDBWDOWQIZRTF-UHFFFAOYSA-N 2 0 234.347 1.673 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001340936246 979165391 /nfs/dbraw/zinc/16/53/91/979165391.db2.gz NSGOHMIZOKIWCJ-NSHDSACASA-N 2 0 241.379 1.304 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+][C@@H](CC(C)C)C1 ZINC001235877878 979173663 /nfs/dbraw/zinc/17/36/63/979173663.db2.gz ASLBBAMOPGLZEE-ZDUSSCGKSA-N 2 0 225.380 1.082 20 30 BDEDRP CCCCCCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206458397 979258980 /nfs/dbraw/zinc/25/89/80/979258980.db2.gz YYSNKXMIKCHCBX-NWDGAFQWSA-N 2 0 214.353 1.208 20 30 BDEDRP C=CC[NH2+]CCN(C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236469727 979604549 /nfs/dbraw/zinc/60/45/49/979604549.db2.gz WDGGSXGEQLDGLV-CYBMUJFWSA-N 2 0 225.380 1.224 20 30 BDEDRP C=CC[NH2+]CCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584778 979635998 /nfs/dbraw/zinc/63/59/98/979635998.db2.gz ULEFQMAWTHNVOL-CYBMUJFWSA-N 2 0 237.391 1.226 20 30 BDEDRP C=CCCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001274964359 984415835 /nfs/dbraw/zinc/41/58/35/984415835.db2.gz KOAAXXBJYMMNCC-UHFFFAOYSA-N 2 0 237.391 1.274 20 30 BDEDRP C[C@@H](C#N)OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000685997266 985034276 /nfs/dbraw/zinc/03/42/76/985034276.db2.gz CGTVRNQKAHAJRE-STQMWFEESA-N 2 0 239.363 1.189 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC001579460618 985954345 /nfs/dbraw/zinc/95/43/45/985954345.db2.gz BQVKYBDIWUTVDF-KOLCDFICSA-N 2 0 235.356 1.565 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001253611320 986287989 /nfs/dbraw/zinc/28/79/89/986287989.db2.gz NJOUKCGMWFTZNS-MJBXVCDLSA-N 2 0 240.391 1.776 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580040000 986451211 /nfs/dbraw/zinc/45/12/11/986451211.db2.gz BQXDDMWUWLORAY-YFKTTZPYSA-N 2 0 207.321 1.396 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979189 987255732 /nfs/dbraw/zinc/25/57/32/987255732.db2.gz IQYQOVNGMWFNTQ-CHWSQXEVSA-N 2 0 238.375 1.435 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246001370 987282793 /nfs/dbraw/zinc/28/27/93/987282793.db2.gz RLHGQFKFVJYQJZ-MJBXVCDLSA-N 2 0 238.375 1.707 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018324 987299638 /nfs/dbraw/zinc/29/96/38/987299638.db2.gz AVXRTLOKOOMUSP-KBPBESRZSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246021913 987313302 /nfs/dbraw/zinc/31/33/02/987313302.db2.gz XJRUBRRNQNHSEQ-UTUOFQBUSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C[C@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246030908 987333083 /nfs/dbraw/zinc/33/30/83/987333083.db2.gz FSPCFWUVFUYEOV-KBPBESRZSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246032851 987334894 /nfs/dbraw/zinc/33/48/94/987334894.db2.gz UKDAXYFVAWKICB-MCIONIFRSA-N 2 0 240.391 1.620 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246102177 987423047 /nfs/dbraw/zinc/42/30/47/987423047.db2.gz RNUWXMZYRGBAFE-AVGNSLFASA-N 2 0 223.364 1.904 20 30 BDEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001246109563 987443297 /nfs/dbraw/zinc/44/32/97/987443297.db2.gz JVNSRAMXASNQQR-WUHRBBMRSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001246109551 987443348 /nfs/dbraw/zinc/44/33/48/987443348.db2.gz JVNSRAMXASNQQR-LOWDOPEQSA-N 2 0 221.348 1.656 20 30 BDEDRP N#CCC1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246128797 987478943 /nfs/dbraw/zinc/47/89/43/987478943.db2.gz FIXTWVDCJHSCOU-BPCQOVAHSA-N 2 0 233.359 1.800 20 30 BDEDRP CCCCCCCCN(CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001246312409 987717745 /nfs/dbraw/zinc/71/77/45/987717745.db2.gz VUPSFVFKICRMAV-CQSZACIVSA-N 2 0 241.423 1.970 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246540372 987905951 /nfs/dbraw/zinc/90/59/51/987905951.db2.gz DNLPUGCYCHMQNG-QWHCGFSZSA-N 2 0 239.363 1.244 20 30 BDEDRP C#CCOCCN(C)CCC[NH+](CC)CC ZINC001321905721 988042738 /nfs/dbraw/zinc/04/27/38/988042738.db2.gz JCLPABPGZUAXIH-UHFFFAOYSA-N 2 0 226.364 1.300 20 30 BDEDRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246830444 988522534 /nfs/dbraw/zinc/52/25/34/988522534.db2.gz HHTSILZTTMJTMW-AGIUHOORSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCSCC[NH3+] ZINC001258721427 991652271 /nfs/dbraw/zinc/65/22/71/991652271.db2.gz VKOZAHPFESBJSQ-JTQLQIEISA-N 2 0 202.367 1.623 20 30 BDEDRP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C#N)CC3)[C@@H]2C1 ZINC001561052652 991707575 /nfs/dbraw/zinc/70/75/75/991707575.db2.gz HLXRLVNBGSIEDB-FWJBWGTRSA-N 2 0 247.386 1.999 20 30 BDEDRP C#CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC001574666851 992889265 /nfs/dbraw/zinc/88/92/65/992889265.db2.gz IMBKSNDWVCJSBH-LBPRGKRZSA-N 2 0 236.359 1.241 20 30 BDEDRP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602477221 349564105 /nfs/dbraw/zinc/56/41/05/349564105.db2.gz ZHSJRWUQKUNDQW-QWHCGFSZSA-N 2 0 223.364 1.810 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246324351 323008610 /nfs/dbraw/zinc/00/86/10/323008610.db2.gz FPEYFCWGWXUOCT-KBPBESRZSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000389378009 539016049 /nfs/dbraw/zinc/01/60/49/539016049.db2.gz BNUXVGNSHDXXER-NEPJUHHUSA-N 2 0 212.337 1.261 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000580580595 365790007 /nfs/dbraw/zinc/79/00/07/365790007.db2.gz DHEYMDNQVXALJC-RNJOBUHISA-N 2 0 224.348 1.437 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000600708254 344360679 /nfs/dbraw/zinc/36/06/79/344360679.db2.gz KWNSXNRPSKKKAU-RYUDHWBXSA-N 2 0 237.347 1.166 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000155760936 345103361 /nfs/dbraw/zinc/10/33/61/345103361.db2.gz HOFCYBFQWUJQSI-CQSZACIVSA-N 2 0 220.360 1.818 20 30 BDEDRP CNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000081795452 345492431 /nfs/dbraw/zinc/49/24/31/345492431.db2.gz REUJBSNRXGLGRK-GFCCVEGCSA-N 2 0 248.374 1.431 20 30 BDEDRP C#CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758979 346561734 /nfs/dbraw/zinc/56/17/34/346561734.db2.gz BRYLOYJJDVKBLI-FUNVUKJBSA-N 2 0 206.333 1.567 20 30 BDEDRP N#CCC[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000580183057 346626602 /nfs/dbraw/zinc/62/66/02/346626602.db2.gz QEHSSHLALKTFRI-UHFFFAOYSA-N 2 0 244.342 1.801 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309818093 347175073 /nfs/dbraw/zinc/17/50/73/347175073.db2.gz VSMRCPBWBJDGQT-AGIUHOORSA-N 2 0 226.364 1.243 20 30 BDEDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595896809 348387032 /nfs/dbraw/zinc/38/70/32/348387032.db2.gz YAIKWCUACZNNNY-DOMZBBRYSA-N 2 0 243.354 1.912 20 30 BDEDRP C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000595894598 348390958 /nfs/dbraw/zinc/39/09/58/348390958.db2.gz XKCHCOPJSURSHS-BXUZGUMPSA-N 2 0 229.327 1.380 20 30 BDEDRP C[C@@]1(C[NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595895588 348391612 /nfs/dbraw/zinc/39/16/12/348391612.db2.gz PSBZISMEVHIOKF-HNNXBMFYSA-N 2 0 243.354 1.771 20 30 BDEDRP C[N@H+](CCOCC[NH3+])CCc1ccc(C#N)cc1 ZINC000595906100 348397101 /nfs/dbraw/zinc/39/71/01/348397101.db2.gz XAYBDTGKIODGMZ-UHFFFAOYSA-N 2 0 247.342 1.008 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000596653024 348606981 /nfs/dbraw/zinc/60/69/81/348606981.db2.gz YPXFATILRKLWQY-RYUDHWBXSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@H](C#N)CN(C)C/C=C\CN(C)C[C@H](C)C#N ZINC000340152669 351949398 /nfs/dbraw/zinc/94/93/98/351949398.db2.gz OCWHUVGUIZYQGE-HLMASZERSA-N 2 0 248.374 1.726 20 30 BDEDRP CC#CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000334350166 352981684 /nfs/dbraw/zinc/98/16/84/352981684.db2.gz VIJNBLMQDVGNKH-UHFFFAOYSA-N 2 0 203.289 1.612 20 30 BDEDRP C[NH+](C)CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336760215 353171486 /nfs/dbraw/zinc/17/14/86/353171486.db2.gz LPMMVGBPHLCHMJ-NEPJUHHUSA-N 2 0 209.337 1.610 20 30 BDEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000113515299 355251816 /nfs/dbraw/zinc/25/18/16/355251816.db2.gz XRJQVSRNVHRACF-GFCCVEGCSA-N 2 0 209.337 1.564 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000335840750 355585041 /nfs/dbraw/zinc/58/50/41/355585041.db2.gz YDHGMCJSDAQFOM-UONOGXRCSA-N 2 0 233.359 1.920 20 30 BDEDRP C=CCCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420379284 192233310 /nfs/dbraw/zinc/23/33/10/192233310.db2.gz MZGSORGCTATLSK-CYBMUJFWSA-N 2 0 249.362 1.340 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423013448 192538949 /nfs/dbraw/zinc/53/89/49/192538949.db2.gz MTIZMSOLCDPULX-STQMWFEESA-N 2 0 226.364 1.829 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000168609525 134231848 /nfs/dbraw/zinc/23/18/48/134231848.db2.gz GTRFBYALHAPESZ-VXGBXAGGSA-N 2 0 212.337 1.296 20 30 BDEDRP N#Cc1cccc(C[NH2+]CCCC[NH3+])c1 ZINC000037714740 358092936 /nfs/dbraw/zinc/09/29/36/358092936.db2.gz ASXDKEBSVVHLFT-UHFFFAOYSA-N 2 0 203.289 1.387 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578643293 366617923 /nfs/dbraw/zinc/61/79/23/366617923.db2.gz UCGLCQNVXNHGQB-RNJOBUHISA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629523831 361121308 /nfs/dbraw/zinc/12/13/08/361121308.db2.gz JYIDBNVVIQSHAD-CYBMUJFWSA-N 2 0 238.375 1.829 20 30 BDEDRP C[NH+](C)CC1CCC([NH2+]CCC#N)CC1 ZINC000581484155 367514603 /nfs/dbraw/zinc/51/46/03/367514603.db2.gz WDOXKJZNTUFQCZ-UHFFFAOYSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC(C)(C)C[NH2+][C@H](CCC[NH3+])COC ZINC000385452210 367829327 /nfs/dbraw/zinc/82/93/27/367829327.db2.gz JOTYITZDRKKWRU-LLVKDONJSA-N 2 0 214.353 1.542 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000069672648 368757338 /nfs/dbraw/zinc/75/73/38/368757338.db2.gz MKBUUNMOUYCKLU-NSHDSACASA-N 2 0 248.374 1.650 20 30 BDEDRP N#Cc1cccc2c1CN(CC1CC[NH2+]CC1)C2 ZINC000405041741 369443408 /nfs/dbraw/zinc/44/34/08/369443408.db2.gz CJOUBVRVHKHELJ-UHFFFAOYSA-N 2 0 241.338 1.873 20 30 BDEDRP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000600768460 369562319 /nfs/dbraw/zinc/56/23/19/369562319.db2.gz GYIQEBPGFIMUSA-UWVGGRQHSA-N 2 0 219.288 1.320 20 30 BDEDRP CN(Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600769701 369562653 /nfs/dbraw/zinc/56/26/53/369562653.db2.gz YIRCYHCDCAJDAO-UHFFFAOYSA-N 2 0 219.288 1.335 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000600770233 369566096 /nfs/dbraw/zinc/56/60/96/369566096.db2.gz WYKPIOQJYGTSMW-UHFFFAOYSA-N 2 0 245.326 1.727 20 30 BDEDRP C[C@@H]1C[C@@H]([NH3+])CN1CCc1ccc(C#N)cc1 ZINC000601329707 369621271 /nfs/dbraw/zinc/62/12/71/369621271.db2.gz MMNBNVOAQKSTGS-BXUZGUMPSA-N 2 0 229.327 1.522 20 30 BDEDRP C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000601326052 369621794 /nfs/dbraw/zinc/62/17/94/369621794.db2.gz ISOSRPDSLUMTEZ-BXUZGUMPSA-N 2 0 229.327 1.585 20 30 BDEDRP C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753284 369941298 /nfs/dbraw/zinc/94/12/98/369941298.db2.gz LKONZAXDIDVDQX-SMDDNHRTSA-N 2 0 229.327 1.727 20 30 BDEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623838418 371120788 /nfs/dbraw/zinc/12/07/88/371120788.db2.gz UKPKCRFRSHBJSK-MJBXVCDLSA-N 2 0 238.375 1.387 20 30 BDEDRP CC(C)(CCC#N)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390102946 371187490 /nfs/dbraw/zinc/18/74/90/371187490.db2.gz AVJSSCJVXHXQEU-VXGBXAGGSA-N 2 0 221.348 1.468 20 30 BDEDRP CC[N@H+](C)C[C@@H]1CCN(CCCC#N)C1 ZINC000173882722 384276293 /nfs/dbraw/zinc/27/62/93/384276293.db2.gz HUEGTICBRRPZKZ-LBPRGKRZSA-N 2 0 209.337 1.564 20 30 BDEDRP C#CCN1CCC[C@@H]([N@H+](C)CC#C)CC1 ZINC000156964927 385033525 /nfs/dbraw/zinc/03/35/25/385033525.db2.gz HABVCXQNSXGHCF-CYBMUJFWSA-N 2 0 204.317 1.039 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180457612 385390720 /nfs/dbraw/zinc/39/07/20/385390720.db2.gz ZQIXQBWANZPUMD-RYUDHWBXSA-N 2 0 228.405 1.978 20 30 BDEDRP CCN(CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309489054 385618739 /nfs/dbraw/zinc/61/87/39/385618739.db2.gz WLLOIJMDBAWMPS-NWDGAFQWSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794233 385734388 /nfs/dbraw/zinc/73/43/88/385734388.db2.gz VOBRKQHTCBMFQX-XDQVBPFNSA-N 2 0 238.375 1.149 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520428695 386672134 /nfs/dbraw/zinc/67/21/34/386672134.db2.gz ZUPNRLXVRMCWPK-GHMZBOCLSA-N 2 0 207.321 1.540 20 30 BDEDRP N#CC1(CN2CCC(c3c[nH]cn3)CC2)CC1 ZINC000334889949 386962321 /nfs/dbraw/zinc/96/23/21/386962321.db2.gz MZAICMVLVLIRHF-UHFFFAOYSA-N 2 0 230.315 1.893 20 30 BDEDRP N#C[C@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423309503 387145149 /nfs/dbraw/zinc/14/51/49/387145149.db2.gz ZXPCWVIAQRIEKS-TUAOUCFPSA-N 2 0 207.321 1.410 20 30 BDEDRP C=CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423424508 387249976 /nfs/dbraw/zinc/24/99/76/387249976.db2.gz FTERIJOCOSQWFJ-QNWHQSFQSA-N 2 0 206.333 1.539 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423561122 387374651 /nfs/dbraw/zinc/37/46/51/387374651.db2.gz PTWUFJSGOKBJII-YPMHNXCESA-N 2 0 221.348 1.800 20 30 BDEDRP C=C[C@@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896118 387533501 /nfs/dbraw/zinc/53/35/01/387533501.db2.gz MXXDNONXUQHRJN-SNVBAGLBSA-N 2 0 235.331 1.806 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422944266 387785632 /nfs/dbraw/zinc/78/56/32/387785632.db2.gz LFCWRZGWQHVIKB-NEPJUHHUSA-N 2 0 228.405 1.883 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423026548 387843375 /nfs/dbraw/zinc/84/33/75/387843375.db2.gz BMIUMXXCXJMQOL-JHJVBQTASA-N 2 0 221.348 1.800 20 30 BDEDRP N#CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157910327 387883545 /nfs/dbraw/zinc/88/35/45/387883545.db2.gz GNWNTJWYAVOPLN-RYUDHWBXSA-N 2 0 207.321 1.507 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423095471 387885821 /nfs/dbraw/zinc/88/58/21/387885821.db2.gz MLXBSZJNAJFTCO-LPWJVIDDSA-N 2 0 224.348 1.437 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423150974 387930497 /nfs/dbraw/zinc/93/04/97/387930497.db2.gz JMORAGJPLBXJEO-PQAZSJQKSA-N 2 0 238.375 1.827 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187600 387971531 /nfs/dbraw/zinc/97/15/31/387971531.db2.gz YGWLPPXQZOPGAQ-UONOGXRCSA-N 2 0 239.407 1.472 20 30 BDEDRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424367145 387992751 /nfs/dbraw/zinc/99/27/51/387992751.db2.gz KPEDDWRYXFZKTK-SDDRHHMPSA-N 2 0 209.337 1.642 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000424383082 388002024 /nfs/dbraw/zinc/00/20/24/388002024.db2.gz SZEXVTGQEHQDNF-CYDGBPFRSA-N 2 0 224.348 1.295 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000451681102 388289547 /nfs/dbraw/zinc/28/95/47/388289547.db2.gz LHODRTNBVOWEGJ-MCIONIFRSA-N 2 0 238.375 1.794 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000649248504 388468892 /nfs/dbraw/zinc/46/88/92/388468892.db2.gz MJARFTOPSYMIEN-ZDUSSCGKSA-N 2 0 226.364 1.197 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000271898033 388411082 /nfs/dbraw/zinc/41/10/82/388411082.db2.gz PVMZUXCPDUYNLQ-UHFFFAOYSA-N 2 0 241.338 1.910 20 30 BDEDRP Cc1cc(CNCCC[NH+](C)C)ccc1C#N ZINC000443991393 388422232 /nfs/dbraw/zinc/42/22/32/388422232.db2.gz VWVMALLJCYFEQO-UHFFFAOYSA-N 2 0 231.343 1.908 20 30 BDEDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(C#N)cc1 ZINC000230004994 388630941 /nfs/dbraw/zinc/63/09/41/388630941.db2.gz XANDBYIZIIZRAQ-UHFFFAOYSA-N 2 0 247.342 1.226 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CC2 ZINC000423187572 388687850 /nfs/dbraw/zinc/68/78/50/388687850.db2.gz KWJLBFCJNKAKRX-CYBMUJFWSA-N 2 0 215.300 1.484 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423164143 388687889 /nfs/dbraw/zinc/68/78/89/388687889.db2.gz OCKYJBAGIRSVSC-ZJUUUORDSA-N 2 0 235.306 1.913 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423164142 388688678 /nfs/dbraw/zinc/68/86/78/388688678.db2.gz OCKYJBAGIRSVSC-VHSXEESVSA-N 2 0 235.306 1.913 20 30 BDEDRP C=CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989508 388905661 /nfs/dbraw/zinc/90/56/61/388905661.db2.gz OYBJEOIBJPJDFL-GFCCVEGCSA-N 2 0 224.348 1.250 20 30 BDEDRP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000371185438 134227530 /nfs/dbraw/zinc/22/75/30/134227530.db2.gz SCDGCHSWDJHZQB-UKRRQHHQSA-N 2 0 232.371 1.958 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168603776 134231426 /nfs/dbraw/zinc/23/14/26/134231426.db2.gz IAFMTPPPTKVKTH-CHWSQXEVSA-N 2 0 226.364 1.686 20 30 BDEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC ZINC000264107163 135133219 /nfs/dbraw/zinc/13/32/19/135133219.db2.gz NXUQQDNDKNWXKG-UHFFFAOYSA-N 2 0 248.374 1.563 20 30 BDEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000264135359 135134838 /nfs/dbraw/zinc/13/48/38/135134838.db2.gz ZKRGIGUQPCIUMG-UHFFFAOYSA-N 2 0 249.362 1.539 20 30 BDEDRP N#Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555683 135194866 /nfs/dbraw/zinc/19/48/66/135194866.db2.gz BQNHCWDGNGSEDB-GJZGRUSLSA-N 2 0 241.338 1.600 20 30 BDEDRP N#Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261555682 135195366 /nfs/dbraw/zinc/19/53/66/135195366.db2.gz BQNHCWDGNGSEDB-CABCVRRESA-N 2 0 241.338 1.600 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000262021077 135272925 /nfs/dbraw/zinc/27/29/25/135272925.db2.gz XUASOPJISWIKQC-LBPRGKRZSA-N 2 0 238.379 1.199 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262021074 135272937 /nfs/dbraw/zinc/27/29/37/135272937.db2.gz XUASOPJISWIKQC-GFCCVEGCSA-N 2 0 238.379 1.199 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CCCCC2)N1 ZINC000262640683 135310545 /nfs/dbraw/zinc/31/05/45/135310545.db2.gz HRYRFZGTRKSYPQ-NSHDSACASA-N 2 0 238.379 1.188 20 30 BDEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC1CC1 ZINC000262708394 135314842 /nfs/dbraw/zinc/31/48/42/135314842.db2.gz BZIFIWLZRVXEOW-GFCCVEGCSA-N 2 0 236.363 1.070 20 30 BDEDRP C=CCNC(NCC1([NH+](C)C)CCCC1)=[NH+]C ZINC000263236069 135342024 /nfs/dbraw/zinc/34/20/24/135342024.db2.gz JQNDZXGIPSKGBA-UHFFFAOYSA-N 2 0 238.379 1.212 20 30 BDEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000265227361 135362499 /nfs/dbraw/zinc/36/24/99/135362499.db2.gz XTXYSJJZLVPCLG-ZDUSSCGKSA-N 2 0 246.358 1.185 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000643479494 398110020 /nfs/dbraw/zinc/11/00/20/398110020.db2.gz IMYWKZMHSMMEPY-NWDGAFQWSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000643479493 398110327 /nfs/dbraw/zinc/11/03/27/398110327.db2.gz IMYWKZMHSMMEPY-NEPJUHHUSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000651959240 409729727 /nfs/dbraw/zinc/72/97/27/409729727.db2.gz FFQSXJQZNVRWGG-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCOCC[NH2+][C@H](C)CCCC[NH3+] ZINC000308696961 409903207 /nfs/dbraw/zinc/90/32/07/409903207.db2.gz TXNKVZSJHWPMQZ-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401099886 411178226 /nfs/dbraw/zinc/17/82/26/411178226.db2.gz CESKITWCGYNMFV-HZSPNIEDSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347928 411208991 /nfs/dbraw/zinc/20/89/91/411208991.db2.gz PISYYQFUZWHGRA-IHRRRGAJSA-N 2 0 238.375 1.781 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422940549 411234628 /nfs/dbraw/zinc/23/46/28/411234628.db2.gz GZFBFYQLCZGASL-UWVGGRQHSA-N 2 0 200.351 1.375 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658210105 411294649 /nfs/dbraw/zinc/29/46/49/411294649.db2.gz OCZLOMIAJQYUBI-STQMWFEESA-N 2 0 226.364 1.651 20 30 BDEDRP C=CCOCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661199 411375425 /nfs/dbraw/zinc/37/54/25/411375425.db2.gz BVKJDOZTCGSXNL-CQSZACIVSA-N 2 0 238.375 1.607 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658692 411613988 /nfs/dbraw/zinc/61/39/88/411613988.db2.gz GGPIZDNZZYHVGG-KBPBESRZSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662298942 412086619 /nfs/dbraw/zinc/08/66/19/412086619.db2.gz HQMVJZKMAZTFPD-OLZOCXBDSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000662299447 412087014 /nfs/dbraw/zinc/08/70/14/412087014.db2.gz PWZNFOYHNULABH-LBPRGKRZSA-N 2 0 212.337 1.250 20 30 BDEDRP C=CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000662299912 412087441 /nfs/dbraw/zinc/08/74/41/412087441.db2.gz ZKVUIXSCRAMSER-STQMWFEESA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665237560 412175761 /nfs/dbraw/zinc/17/57/61/412175761.db2.gz DIBITEKURIKOSQ-YNEHKIRRSA-N 2 0 224.348 1.309 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000163438364 177162990 /nfs/dbraw/zinc/16/29/90/177162990.db2.gz JWQDYIBLNSPCOA-WFASDCNBSA-N 2 0 243.354 1.975 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246324365 323008662 /nfs/dbraw/zinc/00/86/62/323008662.db2.gz FPEYFCWGWXUOCT-KGLIPLIRSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000530209419 323209690 /nfs/dbraw/zinc/20/96/90/323209690.db2.gz HMNUGWRQDVBVIO-JHJVBQTASA-N 2 0 240.391 1.931 20 30 BDEDRP COCC#CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000677820217 487518392 /nfs/dbraw/zinc/51/83/92/487518392.db2.gz JJAZMCJPQIJYCJ-KGLIPLIRSA-N 2 0 236.359 1.052 20 30 BDEDRP C=CCCCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423206693 517324786 /nfs/dbraw/zinc/32/47/86/517324786.db2.gz QXTLZFZDCCLNTJ-AWEZNQCLSA-N 2 0 239.407 1.616 20 30 BDEDRP CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195522359 536305252 /nfs/dbraw/zinc/30/52/52/536305252.db2.gz XPBRIFNRJWHNEC-UHFFFAOYSA-N 2 0 246.358 1.317 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000066245040 534520451 /nfs/dbraw/zinc/52/04/51/534520451.db2.gz DVFITYGEDLRWOI-LLVKDONJSA-N 2 0 226.368 1.053 20 30 BDEDRP C=CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000335394950 534848088 /nfs/dbraw/zinc/84/80/88/534848088.db2.gz HOWHDGPCTKSYEN-NEPJUHHUSA-N 2 0 210.321 1.001 20 30 BDEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000119654250 535943761 /nfs/dbraw/zinc/94/37/61/535943761.db2.gz SHHQJASRWCMIQZ-LBPRGKRZSA-N 2 0 223.364 1.810 20 30 BDEDRP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CCC1 ZINC000262791790 536111431 /nfs/dbraw/zinc/11/14/31/536111431.db2.gz OEYXIEBNNAIYTD-UHFFFAOYSA-N 2 0 238.379 1.175 20 30 BDEDRP C#C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895204571 583625077 /nfs/dbraw/zinc/62/50/77/583625077.db2.gz DTDSEXTXSPODKQ-ZDUSSCGKSA-N 2 0 220.360 1.673 20 30 BDEDRP C[C@H](CC[NH2+]C[C@@H](C)CCC#N)[NH+](C)C ZINC000895293648 583639770 /nfs/dbraw/zinc/63/97/70/583639770.db2.gz IWBSSOXGGCCHIQ-NWDGAFQWSA-N 2 0 211.353 1.856 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370670 584566346 /nfs/dbraw/zinc/56/63/46/584566346.db2.gz MMYDVGCARFWLNG-OLZOCXBDSA-N 2 0 240.391 1.539 20 30 BDEDRP C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903425011 584765300 /nfs/dbraw/zinc/76/53/00/584765300.db2.gz ORAMIFPIRUQXED-BLYZHGLHSA-N 2 0 235.375 1.985 20 30 BDEDRP C=CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903757719 584798691 /nfs/dbraw/zinc/79/86/91/584798691.db2.gz GIKBWEKOWZHBEI-UONOGXRCSA-N 2 0 236.359 1.405 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903988489 584836040 /nfs/dbraw/zinc/83/60/40/584836040.db2.gz SWSDYLDFCCZNQL-RLAWYHOSSA-N 2 0 233.359 1.753 20 30 BDEDRP C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904374127 584873864 /nfs/dbraw/zinc/87/38/64/584873864.db2.gz NDOZPIUUKDFDCF-XQQFMLRXSA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1C[NH3+] ZINC000904411369 584879719 /nfs/dbraw/zinc/87/97/19/584879719.db2.gz UWFQWRAUCJFMDM-WFASDCNBSA-N 2 0 243.354 1.975 20 30 BDEDRP C#CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000830345821 587546762 /nfs/dbraw/zinc/54/67/62/587546762.db2.gz USRXEQVYBLHWEY-AWEZNQCLSA-N 2 0 220.360 1.816 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000847021773 588302687 /nfs/dbraw/zinc/30/26/87/588302687.db2.gz PAOZBWMGKSVWJC-CYBMUJFWSA-N 2 0 217.316 1.537 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000848986585 588425724 /nfs/dbraw/zinc/42/57/24/588425724.db2.gz JKUFUDYBAYTYOE-NSHDSACASA-N 2 0 224.352 1.161 20 30 BDEDRP CCC[NH+](CCC)CCCNC1=[NH+]C[C@H](C)N1 ZINC000848996303 588428996 /nfs/dbraw/zinc/42/89/96/588428996.db2.gz SBACVMOLFIXUQS-LBPRGKRZSA-N 2 0 240.395 1.436 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000873251896 590008758 /nfs/dbraw/zinc/00/87/58/590008758.db2.gz YDHDIUHVXFPCIC-LNSITVRQSA-N 2 0 241.338 1.872 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000876539628 590212266 /nfs/dbraw/zinc/21/22/66/590212266.db2.gz NNMZKSHNKMTGFE-VIFPVBQESA-N 2 0 247.770 1.090 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CCCC ZINC000876542304 590212606 /nfs/dbraw/zinc/21/26/06/590212606.db2.gz NNFFFKIUAXEZEV-UWVGGRQHSA-N 2 0 247.770 1.090 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000878667926 590606958 /nfs/dbraw/zinc/60/69/58/590606958.db2.gz FMVPOTHQHYYZSK-ZDUSSCGKSA-N 2 0 240.391 1.776 20 30 BDEDRP C#CC1([NH2+]Cc2cncn2CC)CCCC1 ZINC000883361970 591630731 /nfs/dbraw/zinc/63/07/31/591630731.db2.gz QNTOLJDYVXGJMN-UHFFFAOYSA-N 2 0 217.316 1.939 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000883431820 591662945 /nfs/dbraw/zinc/66/29/45/591662945.db2.gz DVIHNQYJCWJXQF-AAEUAGOBSA-N 2 0 249.362 1.338 20 30 BDEDRP CC(C)[NH+](CC[NH+]=C(N(C)C)N(C)C)C(C)C ZINC000104153833 592602085 /nfs/dbraw/zinc/60/20/85/592602085.db2.gz OJOXBHWZMXEING-UHFFFAOYSA-N 2 0 242.411 1.584 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000104158197 592602630 /nfs/dbraw/zinc/60/26/30/592602630.db2.gz HNPFTUCHAIYJEM-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000104160930 592602746 /nfs/dbraw/zinc/60/27/46/592602746.db2.gz YAFPCPIIXKUUEI-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000104172170 634566663 /nfs/dbraw/zinc/56/66/63/634566663.db2.gz HUUNXKKKRWQXRW-GFCCVEGCSA-N 2 0 246.358 1.673 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000104179649 634590268 /nfs/dbraw/zinc/59/02/68/634590268.db2.gz AIOLHZQCOZOXHG-LBPRGKRZSA-N 2 0 240.395 1.279 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849005066 631904812 /nfs/dbraw/zinc/90/48/12/631904812.db2.gz UEZLJWIUQPKFBA-LLVKDONJSA-N 2 0 224.352 1.018 20 30 BDEDRP CC(C)C[C@@H](CNC(=[NH2+])NC1CC1)[NH+](C)C ZINC000066245049 632859419 /nfs/dbraw/zinc/85/94/19/632859419.db2.gz ZVBZPJFELUEDJL-NSHDSACASA-N 2 0 226.368 1.029 20 30 BDEDRP C[NH+]1CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC000895345285 636137017 /nfs/dbraw/zinc/13/70/17/636137017.db2.gz ZJFAYOFCEJQXOJ-UHFFFAOYSA-N 2 0 207.321 1.174 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303365411 635929012 /nfs/dbraw/zinc/92/90/12/635929012.db2.gz GPGUHESUVATMJK-NEPJUHHUSA-N 2 0 242.411 1.666 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000303973689 636320850 /nfs/dbraw/zinc/32/08/50/636320850.db2.gz HAKSJZWXWZEEBQ-LLVKDONJSA-N 2 0 228.384 1.421 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911648104 639705180 /nfs/dbraw/zinc/70/51/80/639705180.db2.gz IAKGGUIPKBEPGJ-ZDUSSCGKSA-N 2 0 247.342 1.767 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC000931438845 640202887 /nfs/dbraw/zinc/20/28/87/640202887.db2.gz QFUJXSVRHQJVJV-MQYQWHSLSA-N 2 0 233.359 1.562 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CCCCC#N)CC1 ZINC000044518056 640398176 /nfs/dbraw/zinc/39/81/76/640398176.db2.gz VFWOHEBPMCVMOK-UHFFFAOYSA-N 2 0 209.337 1.612 20 30 BDEDRP CC(C)CNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908567 640937208 /nfs/dbraw/zinc/93/72/08/640937208.db2.gz RGORUOHCWBJKMO-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908600 640937230 /nfs/dbraw/zinc/93/72/30/640937230.db2.gz UWCVSYRADTXGGN-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000231933196 641217548 /nfs/dbraw/zinc/21/75/48/641217548.db2.gz ANTXPYNDOFXZOA-QWRGUYRKSA-N 2 0 214.378 1.623 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305035242 642632756 /nfs/dbraw/zinc/63/27/56/642632756.db2.gz SGGGFTQJFBXMDE-LBPRGKRZSA-N 2 0 240.395 1.279 20 30 BDEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305049291 642634421 /nfs/dbraw/zinc/63/44/21/642634421.db2.gz GNLBONAUILGQIR-GFCCVEGCSA-N 2 0 238.379 1.129 20 30 BDEDRP CNC(NC[C@H]1CCC[N@H+](CC(C)C)C1)=[NH+]C ZINC000305208501 642646568 /nfs/dbraw/zinc/64/65/68/642646568.db2.gz OUUWURRQVARXPY-GFCCVEGCSA-N 2 0 240.395 1.149 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305801263 642699138 /nfs/dbraw/zinc/69/91/38/642699138.db2.gz DJUCAWLAOSYMAC-NSHDSACASA-N 2 0 238.379 1.127 20 30 BDEDRP CN(C(=[NH2+])NCCC1CC[NH+](C)CC1)C1CC1 ZINC000305809980 642700868 /nfs/dbraw/zinc/70/08/68/642700868.db2.gz IOWFESBMFAKZIV-UHFFFAOYSA-N 2 0 238.379 1.127 20 30 BDEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCCC1 ZINC000305835560 642703968 /nfs/dbraw/zinc/70/39/68/642703968.db2.gz WLWSRIRUQIDEKK-NSHDSACASA-N 2 0 238.379 1.127 20 30 BDEDRP CCNC(NCCC[NH+](CC)CC)=[NH+]CC ZINC000303252843 643578212 /nfs/dbraw/zinc/57/82/12/643578212.db2.gz CBVAHKAOGNMTKQ-UHFFFAOYSA-N 2 0 228.384 1.293 20 30 BDEDRP C=CCC[C@H](O)CN(CC[NH3+])Cc1ccccc1 ZINC000923332898 644353983 /nfs/dbraw/zinc/35/39/83/644353983.db2.gz XIHFWANSXJGWLV-HNNXBMFYSA-N 2 0 248.370 1.774 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347295 644359511 /nfs/dbraw/zinc/35/95/11/644359511.db2.gz XRRPOLIJJLKFGM-LLVKDONJSA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923387945 644400540 /nfs/dbraw/zinc/40/05/40/644400540.db2.gz PDTOSEXNPPTRHL-IHRRRGAJSA-N 2 0 240.391 1.763 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923430644 644424667 /nfs/dbraw/zinc/42/46/67/644424667.db2.gz JBSFULQNNORCMM-UPJWGTAASA-N 2 0 226.364 1.230 20 30 BDEDRP CNC(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303253115 644811849 /nfs/dbraw/zinc/81/18/49/644811849.db2.gz CGRGGDWJUCPCQN-MNOVXSKESA-N 2 0 226.368 1.044 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303259966 644813831 /nfs/dbraw/zinc/81/38/31/644813831.db2.gz MMNMETBRFPCHII-PHIMTYICSA-N 2 0 240.395 1.277 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303381167 644819565 /nfs/dbraw/zinc/81/95/65/644819565.db2.gz RTAGWOIDNMPPII-SNVBAGLBSA-N 2 0 226.368 1.031 20 30 BDEDRP CCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303780182 644846126 /nfs/dbraw/zinc/84/61/26/644846126.db2.gz LDJIETKKMKGGSM-UHFFFAOYSA-N 2 0 240.395 1.565 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000303892230 644853949 /nfs/dbraw/zinc/85/39/49/644853949.db2.gz NNDLFMCXYPSSHY-LBPRGKRZSA-N 2 0 240.395 1.565 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H]1CC[N@H+](CCC)C1 ZINC000303895155 644856135 /nfs/dbraw/zinc/85/61/35/644856135.db2.gz SZZZXCNIVWLYQP-LLVKDONJSA-N 2 0 226.368 1.033 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303903204 644856595 /nfs/dbraw/zinc/85/65/95/644856595.db2.gz YHKJLIWXYZREPM-LBPRGKRZSA-N 2 0 240.395 1.420 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000304742238 644929156 /nfs/dbraw/zinc/92/91/56/644929156.db2.gz COLSNOJSNMPGDV-NSHDSACASA-N 2 0 240.395 1.564 20 30 BDEDRP CCCNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304808104 644935121 /nfs/dbraw/zinc/93/51/21/644935121.db2.gz UIBNUFCVLFFAAS-UHFFFAOYSA-N 2 0 242.411 1.810 20 30 BDEDRP N#CC1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000929313053 646073736 /nfs/dbraw/zinc/07/37/36/646073736.db2.gz PQNACVDWCSNOLW-HOAMVYINSA-N 2 0 233.359 1.468 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925628635 646374497 /nfs/dbraw/zinc/37/44/97/646374497.db2.gz FKXFBCBCFYPNQQ-SRVKXCTJSA-N 2 0 224.348 1.031 20 30 BDEDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC#N)C1 ZINC000925637268 646379982 /nfs/dbraw/zinc/37/99/82/646379982.db2.gz JCNRXNCZWYTGIG-GHMZBOCLSA-N 2 0 209.337 1.786 20 30 BDEDRP C=CCC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000925785290 646481372 /nfs/dbraw/zinc/48/13/72/646481372.db2.gz VZCLSAPUIATSIQ-KGYLQXTDSA-N 2 0 208.349 1.929 20 30 BDEDRP C#CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394176870 711684225 /nfs/dbraw/zinc/68/42/25/711684225.db2.gz UEQIXPMUFNQEBM-PBWFPOADSA-N 2 0 220.360 1.957 20 30 BDEDRP C=C(Cl)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724335 711893609 /nfs/dbraw/zinc/89/36/09/711893609.db2.gz MFKAXTLPOJXIIQ-SNVBAGLBSA-N 2 0 202.729 1.800 20 30 BDEDRP C#CCN(C)CCC[NH2+]CC(C)(C)COC ZINC000700610405 711999618 /nfs/dbraw/zinc/99/96/18/711999618.db2.gz GYVNJCSIZZTOGM-UHFFFAOYSA-N 2 0 226.364 1.204 20 30 BDEDRP C=C(C)CN(CC)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160689172 964390804 /nfs/dbraw/zinc/39/08/04/964390804.db2.gz JDRXHLGIJVHNRS-LBPRGKRZSA-N 2 0 241.379 1.257 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545655 967692892 /nfs/dbraw/zinc/69/28/92/967692892.db2.gz LFDIDLUQYKCDKS-GFCCVEGCSA-N 2 0 212.312 1.553 20 30 BDEDRP C[N@H+](CCC#N)CC1(C)CC[NH+](C)CC1 ZINC001208105310 968999391 /nfs/dbraw/zinc/99/93/91/968999391.db2.gz UGBSJVDKEXNKKB-UHFFFAOYSA-N 2 0 209.337 1.564 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001253604135 969303470 /nfs/dbraw/zinc/30/34/70/969303470.db2.gz GSTWDAACJKTXBK-ZDUSSCGKSA-N 2 0 226.364 1.389 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253605650 969303475 /nfs/dbraw/zinc/30/34/75/969303475.db2.gz VOPPQGRASHDIJK-RNJOBUHISA-N 2 0 224.348 1.138 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000691839565 983816727 /nfs/dbraw/zinc/81/67/27/983816727.db2.gz BHDWPVAKTWKHIU-VXGBXAGGSA-N 2 0 224.348 1.439 20 30 BDEDRP C#CC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853623 970998054 /nfs/dbraw/zinc/99/80/54/970998054.db2.gz MOPAQOPVLSUIDM-UHFFFAOYSA-N 2 0 241.338 1.806 20 30 BDEDRP C#CC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860984 971001019 /nfs/dbraw/zinc/00/10/19/971001019.db2.gz JVMLEKRXWNQTQW-UHFFFAOYSA-N 2 0 229.327 1.615 20 30 BDEDRP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172104157 974365762 /nfs/dbraw/zinc/36/57/62/974365762.db2.gz AHDCPFXDMXLWNF-CLLJXQQHSA-N 2 0 218.344 1.757 20 30 BDEDRP COc1ccc(N[C@H]([NH3+])CCC[NH3+])c(CC#N)c1 ZINC001170899585 972062167 /nfs/dbraw/zinc/06/21/67/972062167.db2.gz CUCRXZDYUFIWGA-ZDUSSCGKSA-N 2 0 248.330 1.197 20 30 BDEDRP N#CCCOc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170901133 972069099 /nfs/dbraw/zinc/06/90/99/972069099.db2.gz XENSIDBPWCGOOG-CYBMUJFWSA-N 2 0 248.330 1.415 20 30 BDEDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(CS)cc1 ZINC001170904802 972080667 /nfs/dbraw/zinc/08/06/67/972080667.db2.gz PJSIIMYZIYLMNB-NSHDSACASA-N 2 0 225.361 1.552 20 30 BDEDRP N#CC1CCC([NH2+][C@H]2C[NH2+]CC23CC3)CC1 ZINC001246130566 972189428 /nfs/dbraw/zinc/18/94/28/972189428.db2.gz HYZLHKALAXQXPL-MCIGGMRASA-N 2 0 219.332 1.410 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@]12CCC[NH2+]CC2 ZINC001222309777 972438017 /nfs/dbraw/zinc/43/80/17/972438017.db2.gz RRSLDUJZYWRURD-AWEZNQCLSA-N 2 0 237.391 1.370 20 30 BDEDRP CC(C)[NH+]1CC(Nc2cc[nH+]c(CC#N)c2)C1 ZINC001168314019 964420388 /nfs/dbraw/zinc/42/03/88/964420388.db2.gz ITONLDBRBKTLAX-UHFFFAOYSA-N 2 0 230.315 1.074 20 30 BDEDRP C=CCn1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205273303 967466619 /nfs/dbraw/zinc/46/66/19/967466619.db2.gz JYMGYODKTORFGW-CQSZACIVSA-N 2 0 248.374 1.772 20 30 BDEDRP C=C[C@](C)(O)CN1CCC([N@@H+](C)CC)CC1 ZINC001252556067 968799128 /nfs/dbraw/zinc/79/91/28/968799128.db2.gz DITVQCGGDNPKSQ-ZDUSSCGKSA-N 2 0 226.364 1.340 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252571962 968823268 /nfs/dbraw/zinc/82/32/68/968823268.db2.gz LRCGXRTYKVGBCZ-CYBMUJFWSA-N 2 0 226.364 1.389 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252586427 968839842 /nfs/dbraw/zinc/83/98/42/968839842.db2.gz GXHIWOJPAJPMCB-ZDUSSCGKSA-N 2 0 228.380 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252588587 968844571 /nfs/dbraw/zinc/84/45/71/968844571.db2.gz DCYKMGPGGGGPBU-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252602583 968859363 /nfs/dbraw/zinc/85/93/63/968859363.db2.gz UZTSALXGQDXWRU-CYBMUJFWSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+](CC)CCC[NH+](C)C ZINC001252601645 968859898 /nfs/dbraw/zinc/85/98/98/968859898.db2.gz AZCBSUVFOJMFMM-CYBMUJFWSA-N 2 0 228.380 1.587 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210197010 969829354 /nfs/dbraw/zinc/82/93/54/969829354.db2.gz UYWKTKJXALOLBV-OAHLLOKOSA-N 2 0 245.370 1.409 20 30 BDEDRP C#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222542933 972559649 /nfs/dbraw/zinc/55/96/49/972559649.db2.gz NBSDPTGNUMEHFX-UHFFFAOYSA-N 2 0 246.329 1.931 20 30 BDEDRP N#CC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862772 973177771 /nfs/dbraw/zinc/17/77/71/973177771.db2.gz RIIGEZHUAOYVIK-MVKMKZAISA-N 2 0 219.332 1.492 20 30 BDEDRP C=CC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171575915 974110387 /nfs/dbraw/zinc/11/03/87/974110387.db2.gz KSLBMURKBJXXJW-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP COCCC[NH+]1CCC([NH2+]CCS)CC1 ZINC001172244374 974510321 /nfs/dbraw/zinc/51/03/21/974510321.db2.gz PVUQSYOAFSISOY-UHFFFAOYSA-N 2 0 232.393 1.007 20 30 BDEDRP COCCC[NH+]1CCC([NH2+]CCCS)CC1 ZINC001172248074 974515300 /nfs/dbraw/zinc/51/53/00/974515300.db2.gz VZYLAUPMIIAENG-UHFFFAOYSA-N 2 0 246.420 1.397 20 30 BDEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCOCC[NH3+] ZINC001172302109 974518719 /nfs/dbraw/zinc/51/87/19/974518719.db2.gz DJVZZWDYRLLWIU-LBPRGKRZSA-N 2 0 247.342 1.054 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172478015 974776682 /nfs/dbraw/zinc/77/66/82/974776682.db2.gz AWIGXHLARFDRAF-NWDGAFQWSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC001333021331 975372441 /nfs/dbraw/zinc/37/24/41/975372441.db2.gz DXYAYRQRTBFMFE-NSHDSACASA-N 2 0 220.320 1.496 20 30 BDEDRP N#Cc1cncc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000721582797 977493896 /nfs/dbraw/zinc/49/38/96/977493896.db2.gz YLZKGKVDOLMNOJ-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP C[N@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277936156 979021556 /nfs/dbraw/zinc/02/15/56/979021556.db2.gz AUNUGEMEWSCZTA-TXEJJXNPSA-N 2 0 207.321 1.174 20 30 BDEDRP C=C(C)C[N@H+](CC)CC[C@H]1COC(C)(C)N1 ZINC001235950175 979221141 /nfs/dbraw/zinc/22/11/41/979221141.db2.gz SUWSLCBQPCNEMD-LBPRGKRZSA-N 2 0 226.364 1.999 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC001341585712 979478163 /nfs/dbraw/zinc/47/81/63/979478163.db2.gz QBJRPPSPAKBMEH-LBPRGKRZSA-N 2 0 241.379 1.126 20 30 BDEDRP C#CCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604817 981182127 /nfs/dbraw/zinc/18/21/27/981182127.db2.gz XSELZHZVYBFBLG-STQMWFEESA-N 2 0 208.349 1.707 20 30 BDEDRP C#CCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205761608 982406825 /nfs/dbraw/zinc/40/68/25/982406825.db2.gz IQWFLGJNJBKVKS-SNVBAGLBSA-N 2 0 216.275 1.316 20 30 BDEDRP C[C@@H](C#N)OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000685997265 985032715 /nfs/dbraw/zinc/03/27/15/985032715.db2.gz CGTVRNQKAHAJRE-QWHCGFSZSA-N 2 0 239.363 1.189 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001253598391 986230409 /nfs/dbraw/zinc/23/04/09/986230409.db2.gz SHXPICQIRUMZTA-IHRRRGAJSA-N 2 0 240.391 1.491 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC(CC[NH3+])C2)C1 ZINC001580055982 986482726 /nfs/dbraw/zinc/48/27/26/986482726.db2.gz DGQLUQUQYVKNRU-LVFLEHKBSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001245982583 987239371 /nfs/dbraw/zinc/23/93/71/987239371.db2.gz KWPGGVQGHXKWDU-UPJWGTAASA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001245983916 987262653 /nfs/dbraw/zinc/26/26/53/987262653.db2.gz KLFONHRXGORXEI-UTUOFQBUSA-N 2 0 212.337 1.173 20 30 BDEDRP CC(C)[N@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691573609 987283722 /nfs/dbraw/zinc/28/37/22/987283722.db2.gz VHLWHIWNJGCICF-UHFFFAOYSA-N 2 0 223.364 1.952 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246017607 987302558 /nfs/dbraw/zinc/30/25/58/987302558.db2.gz RYCSTMLHJVFSRQ-RYUDHWBXSA-N 2 0 212.337 1.127 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025289 987316960 /nfs/dbraw/zinc/31/69/60/987316960.db2.gz VZIWGMFPBSCQPW-NEPJUHHUSA-N 2 0 230.327 1.076 20 30 BDEDRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C[NH2+]1 ZINC001246100925 987423947 /nfs/dbraw/zinc/42/39/47/987423947.db2.gz UOYBIKGGXOGMNS-VOAKCMCISA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246120666 987466727 /nfs/dbraw/zinc/46/67/27/987466727.db2.gz NBRJDJUFQLKIDL-XQQFMLRXSA-N 2 0 223.364 1.904 20 30 BDEDRP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246266862 987661979 /nfs/dbraw/zinc/66/19/79/987661979.db2.gz SWAXVOQRSRMDQD-DOMZBBRYSA-N 2 0 228.339 1.898 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[NH2+]1 ZINC001246283248 987678909 /nfs/dbraw/zinc/67/89/09/987678909.db2.gz AXJVWXUNNIFIOH-BDAKNGLRSA-N 2 0 202.367 1.425 20 30 BDEDRP C#CC1([NH2+]C2CC[NH2+]CC2)CCCCC1 ZINC001246460924 987820390 /nfs/dbraw/zinc/82/03/90/987820390.db2.gz ASILXCPHPSXIHQ-UHFFFAOYSA-N 2 0 206.333 1.664 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474680 987831579 /nfs/dbraw/zinc/83/15/79/987831579.db2.gz AIZPDHVHRWPGKX-YFKTTZPYSA-N 2 0 225.311 1.216 20 30 BDEDRP Cc1ccc(C(=[NH2+])N[C@H]2CCC[NH2+]C2)cc1C ZINC001246483772 987841449 /nfs/dbraw/zinc/84/14/49/987841449.db2.gz OGGCEZVLXWTRBG-ZDUSSCGKSA-N 2 0 231.343 1.761 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC001521407648 989701098 /nfs/dbraw/zinc/70/10/98/989701098.db2.gz AROBRWUPNINMLJ-LLVKDONJSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCC[C@H](C)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001258725991 991668247 /nfs/dbraw/zinc/66/82/47/991668247.db2.gz PFEDHUJHOQZDCX-AWEZNQCLSA-N 2 0 239.407 1.698 20 30 BDEDRP C=CCC[C@H](C)[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001258732552 991676471 /nfs/dbraw/zinc/67/64/71/991676471.db2.gz NDKQQQZEHGPIPE-AWEZNQCLSA-N 2 0 239.407 1.520 20 30 BDEDRP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCC(C#N)CC3)[C@@H]2C1 ZINC001561052655 991707067 /nfs/dbraw/zinc/70/70/67/991707067.db2.gz HLXRLVNBGSIEDB-OGONIBCJSA-N 2 0 247.386 1.999 20 30 BDEDRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001261424203 992298388 /nfs/dbraw/zinc/29/83/88/992298388.db2.gz PLRHTGNZIDQHNO-UTUOFQBUSA-N 2 0 209.337 1.656 20 30 BDEDRP C#CC[N@@H+](CC)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574637023 992881720 /nfs/dbraw/zinc/88/17/20/992881720.db2.gz DBSZQDAFGLRZCK-UHFFFAOYSA-N 2 0 247.342 1.144 20 30 BDEDRP C=CC[N@@H+](C[C@@H](O)CC[NH3+])CC1CCCCC1 ZINC001574927038 992947204 /nfs/dbraw/zinc/94/72/04/992947204.db2.gz BYQIITQDIBKHHN-AWEZNQCLSA-N 2 0 240.391 1.764 20 30 BDEDRP C[C@@H](CCC#N)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001575941019 993122975 /nfs/dbraw/zinc/12/29/75/993122975.db2.gz HBBJQYWFQFMRJU-TUAOUCFPSA-N 2 0 207.321 1.220 20 30 BDEDRP CC[NH+](CC)[C@H](CNC(N)=[NH2+])CC(C)C ZINC000161488585 349463654 /nfs/dbraw/zinc/46/36/54/349463654.db2.gz DHEWKYRJPKVIES-JTQLQIEISA-N 2 0 214.357 1.016 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000424291562 398180430 /nfs/dbraw/zinc/18/04/30/398180430.db2.gz DQJJXTSGISDYNR-FQUUOJAGSA-N 2 0 238.375 1.650 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423019709 398161356 /nfs/dbraw/zinc/16/13/56/398161356.db2.gz WVTLAPWSNMQORG-AGIUHOORSA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCN1C ZINC000336731338 136218352 /nfs/dbraw/zinc/21/83/52/136218352.db2.gz FFGWMNFMJTXGCY-MROQNXINSA-N 2 0 221.348 1.751 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CCCC[NH+](C)C ZINC000602525178 349577702 /nfs/dbraw/zinc/57/77/02/349577702.db2.gz RROWYIHLHAWOCP-GFCCVEGCSA-N 2 0 211.353 1.858 20 30 BDEDRP C[C@@H](C#N)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000183836342 346858858 /nfs/dbraw/zinc/85/88/58/346858858.db2.gz QPWJOQCGRSDMFB-NSHDSACASA-N 2 0 223.364 1.999 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000231930170 342761241 /nfs/dbraw/zinc/76/12/41/342761241.db2.gz GGSHPGMQAUXBMG-GHMZBOCLSA-N 2 0 214.378 1.765 20 30 BDEDRP C[C@H]1C[NH+]=C(NCC(C)(C)[NH+]2CCCCC2)N1 ZINC000262669777 136374714 /nfs/dbraw/zinc/37/47/14/136374714.db2.gz QMSZHJOWSSXICH-NSHDSACASA-N 2 0 238.379 1.188 20 30 BDEDRP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158947424 345390853 /nfs/dbraw/zinc/39/08/53/345390853.db2.gz SPZGYZBEIGVFSE-CHWSQXEVSA-N 2 0 208.349 1.979 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000309599685 347114624 /nfs/dbraw/zinc/11/46/24/347114624.db2.gz XIGSACDMVPFRPK-LBPRGKRZSA-N 2 0 226.364 1.387 20 30 BDEDRP CC#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364514023 347461427 /nfs/dbraw/zinc/46/14/27/347461427.db2.gz OMRMHSJQEPENNG-ILXRZTDVSA-N 2 0 232.371 1.816 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000591570749 347676010 /nfs/dbraw/zinc/67/60/10/347676010.db2.gz IPSZTQRMYVLKNU-FZMZJTMJSA-N 2 0 247.317 1.914 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470674 347789188 /nfs/dbraw/zinc/78/91/88/347789188.db2.gz COZBYNNLIYVIHW-IJLUTSLNSA-N 2 0 207.321 1.268 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470785 347789238 /nfs/dbraw/zinc/78/92/38/347789238.db2.gz HJZKIZYWEPMCHS-JHJVBQTASA-N 2 0 235.375 1.904 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471023 347789852 /nfs/dbraw/zinc/78/98/52/347789852.db2.gz RXZBGNCEIKPMAO-JHJVBQTASA-N 2 0 233.359 1.658 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000594512234 348061108 /nfs/dbraw/zinc/06/11/08/348061108.db2.gz VLUNSXKGAACBDC-ZDEQEGDKSA-N 2 0 221.348 1.608 20 30 BDEDRP N#CC1(CNC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000594611001 348082432 /nfs/dbraw/zinc/08/24/32/348082432.db2.gz BBOBYBPEVVHCBL-CYBMUJFWSA-N 2 0 249.358 1.133 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000595293957 348215349 /nfs/dbraw/zinc/21/53/49/348215349.db2.gz VMSIPDWFOAKEQJ-GASCZTMLSA-N 2 0 241.338 1.252 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487682 362911288 /nfs/dbraw/zinc/91/12/88/362911288.db2.gz MRFBEBLVKYUPGM-GFCCVEGCSA-N 2 0 226.364 1.651 20 30 BDEDRP C[C@]1(C#N)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000595904511 348396393 /nfs/dbraw/zinc/39/63/93/348396393.db2.gz DZHQCBBTYOYRHF-NWDGAFQWSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000303574160 490169113 /nfs/dbraw/zinc/16/91/13/490169113.db2.gz QHSMLZRUYLEXHC-UHFFFAOYSA-N 2 0 226.364 1.651 20 30 BDEDRP C=CCCSCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000596650196 348605331 /nfs/dbraw/zinc/60/53/31/348605331.db2.gz JDNFOKQEIQNFTF-SNVBAGLBSA-N 2 0 214.378 1.493 20 30 BDEDRP C[N@@H+]1CC[C@@H]([NH2+]CCCC#N)CC1(C)C ZINC000598972419 349069660 /nfs/dbraw/zinc/06/96/60/349069660.db2.gz RFPGVMLGDJDPPO-LLVKDONJSA-N 2 0 209.337 1.753 20 30 BDEDRP CC#CCN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336646688 350415461 /nfs/dbraw/zinc/41/54/61/350415461.db2.gz LCWLUPFKLVYQKP-CHWSQXEVSA-N 2 0 208.349 1.814 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@@H](CCC[NH3+])COC ZINC000336651456 350578402 /nfs/dbraw/zinc/57/84/02/350578402.db2.gz AKPDDMZCLRPDAL-LBPRGKRZSA-N 2 0 228.380 1.932 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429221 350757716 /nfs/dbraw/zinc/75/77/16/350757716.db2.gz QHRKZRSRWHQEKU-AWEZNQCLSA-N 2 0 238.375 1.607 20 30 BDEDRP CC#CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000334209917 352806833 /nfs/dbraw/zinc/80/68/33/352806833.db2.gz KUDOCXADKDHNBV-UHFFFAOYSA-N 2 0 206.333 1.570 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090451307 188271965 /nfs/dbraw/zinc/27/19/65/188271965.db2.gz SBHZFQHGZNMYGU-MGPQQGTHSA-N 2 0 240.391 1.897 20 30 BDEDRP C=CCN(CCOC)C[C@@H]([NH3+])CC(C)C ZINC000234682888 363426348 /nfs/dbraw/zinc/42/63/48/363426348.db2.gz GAHSYOHHKYHSQD-LBPRGKRZSA-N 2 0 214.353 1.494 20 30 BDEDRP C=CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351905284 356179497 /nfs/dbraw/zinc/17/94/97/356179497.db2.gz TZMRUIJHZHYNCN-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378565 192232732 /nfs/dbraw/zinc/23/27/32/192232732.db2.gz MDZVBPWPZXODQO-ZIAGYGMSSA-N 2 0 238.375 1.781 20 30 BDEDRP N#Cc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000584473152 357990467 /nfs/dbraw/zinc/99/04/67/357990467.db2.gz RRCQELCMEYBQSE-GFCCVEGCSA-N 2 0 229.327 1.647 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090450860 360073373 /nfs/dbraw/zinc/07/33/73/360073373.db2.gz MKVMGIKYMDQYPD-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000629650123 361546761 /nfs/dbraw/zinc/54/67/61/361546761.db2.gz OKHNSIHAKJQJBZ-QWHCGFSZSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581022192 367239343 /nfs/dbraw/zinc/23/93/43/367239343.db2.gz NPYRIFPRJNYVLE-QJPTWQEYSA-N 2 0 212.337 1.031 20 30 BDEDRP CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000405241550 369450066 /nfs/dbraw/zinc/45/00/66/369450066.db2.gz BKHOFGZWUQGMPA-QWHCGFSZSA-N 2 0 229.327 1.774 20 30 BDEDRP C[C@@H](NCc1ccc(C#N)o1)[C@@H]1CCC[NH2+]C1 ZINC000600769592 369561188 /nfs/dbraw/zinc/56/11/88/369561188.db2.gz PFALYPGDDSFPDE-GHMZBOCLSA-N 2 0 233.315 1.629 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000600769133 369562626 /nfs/dbraw/zinc/56/26/26/369562626.db2.gz OPPVQWOIYICREH-UHFFFAOYSA-N 2 0 219.288 1.322 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000600769752 369564684 /nfs/dbraw/zinc/56/46/84/369564684.db2.gz QHENLDVGXRMYKY-GXFFZTMASA-N 2 0 233.315 1.758 20 30 BDEDRP C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(C#N)cc1 ZINC000601330776 369620963 /nfs/dbraw/zinc/62/09/63/369620963.db2.gz XCKXWTBELJAFPA-MFKMUULPSA-N 2 0 215.300 1.480 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602705797 369844669 /nfs/dbraw/zinc/84/46/69/369844669.db2.gz PSYCOASYCYTZPI-VDISTLRHSA-N 2 0 244.342 1.383 20 30 BDEDRP C=CCn1cc(C[NH2+][C@@H](C)CCCC[NH3+])nn1 ZINC000424379427 206040014 /nfs/dbraw/zinc/04/00/14/206040014.db2.gz OSJIHZORSZKWMX-NSHDSACASA-N 2 0 237.351 1.071 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424382119 206040244 /nfs/dbraw/zinc/04/02/44/206040244.db2.gz ZVHZOGJHXWNDKC-WUHRBBMRSA-N 2 0 221.348 1.928 20 30 BDEDRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335024877 384011232 /nfs/dbraw/zinc/01/12/32/384011232.db2.gz HNRTTWVAKMXTKH-IINYFYTJSA-N 2 0 247.317 1.785 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C1 ZINC000333042214 384203878 /nfs/dbraw/zinc/20/38/78/384203878.db2.gz FKUVLYCPTWABPE-GRYCIOLGSA-N 2 0 230.315 1.480 20 30 BDEDRP CN(Cc1ccc(C#N)cc1)C1(C[NH3+])CCC1 ZINC000395524941 384529932 /nfs/dbraw/zinc/52/99/32/384529932.db2.gz YBRYGRAZGOMTNH-UHFFFAOYSA-N 2 0 229.327 1.871 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309973706 384755559 /nfs/dbraw/zinc/75/55/59/384755559.db2.gz REBCERXJECLDBG-QWHCGFSZSA-N 2 0 219.332 1.530 20 30 BDEDRP C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309625165 385753610 /nfs/dbraw/zinc/75/36/10/385753610.db2.gz GELXFWLQESWRNN-OLZOCXBDSA-N 2 0 221.348 1.610 20 30 BDEDRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000569366620 385988187 /nfs/dbraw/zinc/98/81/87/385988187.db2.gz CVSAHNLRDMZZGM-LLVKDONJSA-N 2 0 217.316 1.503 20 30 BDEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414169157 386016621 /nfs/dbraw/zinc/01/66/21/386016621.db2.gz ROGSOVNGSJSGSC-NWDGAFQWSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CCSCC[NH2+][C@H](C)CCC[NH3+] ZINC000336643402 386153107 /nfs/dbraw/zinc/15/31/07/386153107.db2.gz HWINCEYTWXFOMB-SNVBAGLBSA-N 2 0 202.367 1.623 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C#N)cc1 ZINC000309353387 386168920 /nfs/dbraw/zinc/16/89/20/386168920.db2.gz NNRXFYOQYBEZOZ-WDEREUQCSA-N 2 0 217.316 1.804 20 30 BDEDRP C=CC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334969106 387052636 /nfs/dbraw/zinc/05/26/36/387052636.db2.gz NUSMDRCKQPLHPJ-QWHCGFSZSA-N 2 0 224.348 1.391 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000320268565 387253550 /nfs/dbraw/zinc/25/35/50/387253550.db2.gz KXQAJGACPFWXIG-SDDRHHMPSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422979180 387789379 /nfs/dbraw/zinc/78/93/79/387789379.db2.gz LRYLPNQYOKQUDW-ZIAGYGMSSA-N 2 0 237.391 1.496 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423026553 387842900 /nfs/dbraw/zinc/84/29/00/387842900.db2.gz BMIUMXXCXJMQOL-YNEHKIRRSA-N 2 0 221.348 1.800 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@@H]2C1 ZINC000194543983 387893364 /nfs/dbraw/zinc/89/33/64/387893364.db2.gz USXFBWBHRRSHSZ-BETUJISGSA-N 2 0 235.375 1.810 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423098548 387886722 /nfs/dbraw/zinc/88/67/22/387886722.db2.gz SEFGVMLXGPXLJM-LPWJVIDDSA-N 2 0 226.364 1.683 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423154587 387934212 /nfs/dbraw/zinc/93/42/12/387934212.db2.gz PAXWMWSPYNSGAA-UTUOFQBUSA-N 2 0 212.337 1.437 20 30 BDEDRP C=CCCCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423206694 387991727 /nfs/dbraw/zinc/99/17/27/387991727.db2.gz QXTLZFZDCCLNTJ-CQSZACIVSA-N 2 0 239.407 1.616 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424369159 387993999 /nfs/dbraw/zinc/99/39/99/387993999.db2.gz BFKKAZITGIJNSV-XQHKEYJVSA-N 2 0 221.348 1.656 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000424375970 387998899 /nfs/dbraw/zinc/99/88/99/387998899.db2.gz LBLRJDAXSQOPLL-FQUUOJAGSA-N 2 0 238.375 1.698 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423253567 388035810 /nfs/dbraw/zinc/03/58/10/388035810.db2.gz WFGCCXTWUMVSGF-XQQFMLRXSA-N 2 0 221.348 1.658 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000336660096 388087737 /nfs/dbraw/zinc/08/77/37/388087737.db2.gz BBJJZOXOKTZTCC-STQMWFEESA-N 2 0 221.348 1.754 20 30 BDEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449388379 388190833 /nfs/dbraw/zinc/19/08/33/388190833.db2.gz OYLSSULENPKVRJ-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000491749322 388317505 /nfs/dbraw/zinc/31/75/05/388317505.db2.gz QIBBVGKSJMQBEZ-PBWFPOADSA-N 2 0 236.359 1.193 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491209521 388277082 /nfs/dbraw/zinc/27/70/82/388277082.db2.gz IHTAFXLZJTYRIN-ZFWWWQNUSA-N 2 0 249.402 1.014 20 30 BDEDRP C#C[C@@H](CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000310009738 388472739 /nfs/dbraw/zinc/47/27/39/388472739.db2.gz IEEIBVKELPKNAD-ZDUSSCGKSA-N 2 0 220.360 1.862 20 30 BDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC#N)[C@@H](C)C1 ZINC000245432892 388578330 /nfs/dbraw/zinc/57/83/30/388578330.db2.gz OWCKBMCTAHEEJW-STQMWFEESA-N 2 0 223.364 1.952 20 30 BDEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC#N)[C@@H](C)C1 ZINC000245432891 388578528 /nfs/dbraw/zinc/57/85/28/388578528.db2.gz OWCKBMCTAHEEJW-QWHCGFSZSA-N 2 0 223.364 1.952 20 30 BDEDRP C=CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238109 388638354 /nfs/dbraw/zinc/63/83/54/388638354.db2.gz JWIPTIULNHUJRH-CYBMUJFWSA-N 2 0 224.348 1.263 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423315273 388690574 /nfs/dbraw/zinc/69/05/74/388690574.db2.gz ZKGDBQQGJZMILU-QMTHXVAHSA-N 2 0 229.327 1.730 20 30 BDEDRP C=CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249420402 388720679 /nfs/dbraw/zinc/72/06/79/388720679.db2.gz HLSNXKBLSOCKJT-KBPBESRZSA-N 2 0 240.391 1.899 20 30 BDEDRP C=C(Cl)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262348953 135118034 /nfs/dbraw/zinc/11/80/34/135118034.db2.gz DUDIMYWPNCTNEA-SNVBAGLBSA-N 2 0 244.770 1.128 20 30 BDEDRP C=CCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000264141330 135134884 /nfs/dbraw/zinc/13/48/84/135134884.db2.gz WNAJZACPNPOURC-UHFFFAOYSA-N 2 0 226.368 1.196 20 30 BDEDRP CC[N@H+](C)Cc1cccc(CNC(NC)=[NH+]C)c1 ZINC000264130626 135135117 /nfs/dbraw/zinc/13/51/17/135135117.db2.gz XWJMSPYPXPWXAP-UHFFFAOYSA-N 2 0 248.374 1.433 20 30 BDEDRP C[NH2+]CCCN(C)Cc1ccc(C#N)cc1 ZINC000087472214 135142905 /nfs/dbraw/zinc/14/29/05/135142905.db2.gz LTUFHWQBYQXERV-UHFFFAOYSA-N 2 0 217.316 1.600 20 30 BDEDRP CC(C)[NH+](CCNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000261589318 135230320 /nfs/dbraw/zinc/23/03/20/135230320.db2.gz TTYHESCCLWPONK-LLVKDONJSA-N 2 0 226.368 1.043 20 30 BDEDRP C[NH+](C)CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343147765 135361539 /nfs/dbraw/zinc/36/15/39/135361539.db2.gz JFBPVAALIBBYSP-UHFFFAOYSA-N 2 0 235.375 1.954 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214594 135591128 /nfs/dbraw/zinc/59/11/28/135591128.db2.gz OEVODFGXAHCWNZ-KGLIPLIRSA-N 2 0 229.327 1.918 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000389321760 398074141 /nfs/dbraw/zinc/07/41/41/398074141.db2.gz HMFCDUBYPXOSJV-NWDGAFQWSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401099883 411177797 /nfs/dbraw/zinc/17/77/97/411177797.db2.gz CESKITWCGYNMFV-BFHYXJOUSA-N 2 0 238.375 1.557 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400952340 411166708 /nfs/dbraw/zinc/16/67/08/411166708.db2.gz XHRJRSBTKLXUJI-FRRDWIJNSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661191 411375628 /nfs/dbraw/zinc/37/56/28/411375628.db2.gz BVKJDOZTCGSXNL-AWEZNQCLSA-N 2 0 238.375 1.607 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658695 411614318 /nfs/dbraw/zinc/61/43/18/411614318.db2.gz GGPIZDNZZYHVGG-UONOGXRCSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662278898 412071531 /nfs/dbraw/zinc/07/15/31/412071531.db2.gz CCBTVSBCUQGFNH-LBPRGKRZSA-N 2 0 222.332 1.158 20 30 BDEDRP C=CCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322138 412100339 /nfs/dbraw/zinc/10/03/39/412100339.db2.gz URQKYMXDDVNRKX-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP CC#CCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323246 412101241 /nfs/dbraw/zinc/10/12/41/412101241.db2.gz NBPSWTWWXLNGII-AWEZNQCLSA-N 2 0 238.375 1.442 20 30 BDEDRP C=CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665237559 412177293 /nfs/dbraw/zinc/17/72/93/412177293.db2.gz DIBITEKURIKOSQ-RWMBFGLXSA-N 2 0 224.348 1.309 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000424377334 229160011 /nfs/dbraw/zinc/16/00/11/229160011.db2.gz RBRFZLRVUWGSOD-LOWDOPEQSA-N 2 0 221.348 1.786 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547393166 323196089 /nfs/dbraw/zinc/19/60/89/323196089.db2.gz DANLBEYXXSGZJE-CQSZACIVSA-N 2 0 238.375 1.387 20 30 BDEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135176075 325399036 /nfs/dbraw/zinc/39/90/36/325399036.db2.gz ZTGRSVQNZOYKFA-UHFFFAOYSA-N 2 0 233.315 1.583 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000339020850 534879078 /nfs/dbraw/zinc/87/90/78/534879078.db2.gz IZSHNERLDOBNOO-UONOGXRCSA-N 2 0 238.375 1.605 20 30 BDEDRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263041564 536349909 /nfs/dbraw/zinc/34/99/09/536349909.db2.gz CIXLRAURCJMBAL-NSHDSACASA-N 2 0 238.379 1.127 20 30 BDEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c(CC)c2)CC1 ZINC000895812172 583733281 /nfs/dbraw/zinc/73/32/81/583733281.db2.gz NKBBRZAPZNBYSJ-UHFFFAOYSA-N 2 0 243.354 1.575 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401982 584587371 /nfs/dbraw/zinc/58/73/71/584587371.db2.gz GWTDOOFPQZWGHO-QWHCGFSZSA-N 2 0 240.391 1.681 20 30 BDEDRP C[NH2+]CCC[N@H+](C)CC1CCC(C#N)CC1 ZINC000903459912 584766934 /nfs/dbraw/zinc/76/69/34/584766934.db2.gz QPFQEDYTOCORKQ-UHFFFAOYSA-N 2 0 223.364 1.858 20 30 BDEDRP CN(C)c1cc[nH+]cc1C=NOCC(F)F ZINC000758904252 585362247 /nfs/dbraw/zinc/36/22/47/585362247.db2.gz SVVMJNQUXXWWMU-UHFFFAOYSA-N 2 0 229.230 1.763 20 30 BDEDRP C#CCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000760842291 585399211 /nfs/dbraw/zinc/39/92/11/585399211.db2.gz FWUXSOQQQQYPHT-ZDUSSCGKSA-N 2 0 208.349 1.673 20 30 BDEDRP C#CCCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000799175414 586165191 /nfs/dbraw/zinc/16/51/91/586165191.db2.gz XWEUJAILGVSWOQ-UHFFFAOYSA-N 2 0 208.349 1.818 20 30 BDEDRP C[N@H+](Cc1ccncc1C#N)C1CCC([NH3+])CC1 ZINC000843354564 588103018 /nfs/dbraw/zinc/10/30/18/588103018.db2.gz CTJUSERPTXWBOS-UHFFFAOYSA-N 2 0 244.342 1.655 20 30 BDEDRP C#C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000847021322 588302733 /nfs/dbraw/zinc/30/27/33/588302733.db2.gz JNAZGGLJHLUYEL-UONOGXRCSA-N 2 0 220.360 1.816 20 30 BDEDRP CCC[NH+](CCC)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000848996301 588429235 /nfs/dbraw/zinc/42/92/35/588429235.db2.gz SBACVMOLFIXUQS-GFCCVEGCSA-N 2 0 240.395 1.436 20 30 BDEDRP CC[N@H+](CCNC(NC1CC1)=[NH+]C)C(C)C ZINC000849001041 588430846 /nfs/dbraw/zinc/43/08/46/588430846.db2.gz STMYGNOEHNKJFA-UHFFFAOYSA-N 2 0 226.368 1.044 20 30 BDEDRP C[C@H]1C[NH+]=C(NCCCCC[NH+]2CCCC2)N1 ZINC000849033561 588443793 /nfs/dbraw/zinc/44/37/93/588443793.db2.gz QGAFTYLWHKTKLH-LBPRGKRZSA-N 2 0 238.379 1.190 20 30 BDEDRP C=CCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039315 588446863 /nfs/dbraw/zinc/44/68/63/588446863.db2.gz SCGPMRFGJPLCJH-UHFFFAOYSA-N 2 0 224.352 1.161 20 30 BDEDRP CCNC(NCC[N@@H+]1CCC[C@@H]1C)=[NH+]CC ZINC000849214545 588461457 /nfs/dbraw/zinc/46/14/57/588461457.db2.gz NUMFRGCXJBAFFC-NSHDSACASA-N 2 0 226.368 1.046 20 30 BDEDRP C[NH2+]CCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000866698244 589512994 /nfs/dbraw/zinc/51/29/94/589512994.db2.gz QDXDJGXARLZFSX-UHFFFAOYSA-N 2 0 231.343 1.642 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873256518 590011599 /nfs/dbraw/zinc/01/15/99/590011599.db2.gz NNYOSMYNLBSRBK-DDHJBXDOSA-N 2 0 207.321 1.396 20 30 BDEDRP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000886365293 592217018 /nfs/dbraw/zinc/21/70/18/592217018.db2.gz FMPKPWMWTVYCGU-KBPBESRZSA-N 2 0 238.375 1.033 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000104168234 592602820 /nfs/dbraw/zinc/60/28/20/592602820.db2.gz DQGJTPGWIAYCBC-LLVKDONJSA-N 2 0 226.368 1.033 20 30 BDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000104168239 592602860 /nfs/dbraw/zinc/60/28/60/592602860.db2.gz TZSCBJZAAWKFRN-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1)[NH2+]2 ZINC000925702773 634378160 /nfs/dbraw/zinc/37/81/60/634378160.db2.gz DLAULJDVDXZAQB-VPCRRHSYSA-N 2 0 233.359 1.797 20 30 BDEDRP C[C@@H]1NCCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000925714615 634431209 /nfs/dbraw/zinc/43/12/09/634431209.db2.gz SNHOYPAVERXKIP-WFASDCNBSA-N 2 0 243.354 1.831 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+](CC3(CC#N)CC3)C[C@@H]2C1 ZINC000310493886 632749412 /nfs/dbraw/zinc/74/94/12/632749412.db2.gz HXKGKDCDFDGYEY-OLZOCXBDSA-N 2 0 233.359 1.564 20 30 BDEDRP CNC(NC[C@H](CC(C)C)[NH+]1CCCC1)=[NH+]C ZINC000066245095 632859320 /nfs/dbraw/zinc/85/93/20/632859320.db2.gz CONRZCNTQLDPCI-LBPRGKRZSA-N 2 0 240.395 1.292 20 30 BDEDRP C=C(Cl)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518221 635918171 /nfs/dbraw/zinc/91/81/71/635918171.db2.gz BEWJBJJKUBFLEA-UHFFFAOYSA-N 2 0 202.729 1.670 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925682150 634286002 /nfs/dbraw/zinc/28/60/02/634286002.db2.gz UEGUPARBRPOZIV-CYDGBPFRSA-N 2 0 233.359 1.928 20 30 BDEDRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000259874356 635265351 /nfs/dbraw/zinc/26/53/51/635265351.db2.gz CVYQREZYWKFPSG-CYBMUJFWSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000931311321 640145806 /nfs/dbraw/zinc/14/58/06/640145806.db2.gz LZPREMUHIVXNPO-BFHYXJOUSA-N 2 0 238.375 1.197 20 30 BDEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])N(C)C)([NH+](C)C)C1 ZINC000170909605 640936985 /nfs/dbraw/zinc/93/69/85/640936985.db2.gz FMCJXITZXVFEMQ-YPMHNXCESA-N 2 0 240.395 1.373 20 30 BDEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])N(C)C)C1 ZINC000170913491 640937769 /nfs/dbraw/zinc/93/77/69/640937769.db2.gz RNSIYZDWAZGIGS-RYUDHWBXSA-N 2 0 240.395 1.231 20 30 BDEDRP CN(C)C(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000170913017 640937996 /nfs/dbraw/zinc/93/79/96/640937996.db2.gz JJDONKVWWGRUCL-GFCCVEGCSA-N 2 0 240.395 1.373 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000934645596 641229653 /nfs/dbraw/zinc/22/96/53/641229653.db2.gz VAWQUIDYCSFOEZ-AWEZNQCLSA-N 2 0 242.407 1.976 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC=C(C)C ZINC000191149847 641903559 /nfs/dbraw/zinc/90/35/59/641903559.db2.gz ALEHTJIQDSUNGH-LBPRGKRZSA-N 2 0 238.379 1.341 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921969472 643834607 /nfs/dbraw/zinc/83/46/07/643834607.db2.gz WWPHJQDLAMNJIN-UHFFFAOYSA-N 2 0 247.367 1.971 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000923296454 644335792 /nfs/dbraw/zinc/33/57/92/644335792.db2.gz SDGDKVBBBCCXFB-NWDGAFQWSA-N 2 0 212.337 1.031 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349164 644362189 /nfs/dbraw/zinc/36/21/89/644362189.db2.gz PHHPWHAOZNJMRH-OLZOCXBDSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352830 644369435 /nfs/dbraw/zinc/36/94/35/644369435.db2.gz FUWJXMXTIIIZDY-OLZOCXBDSA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000923371504 644383189 /nfs/dbraw/zinc/38/31/89/644383189.db2.gz XRPBMBJWRKKAEZ-NEPJUHHUSA-N 2 0 226.364 1.291 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303381166 644820646 /nfs/dbraw/zinc/82/06/46/644820646.db2.gz RTAGWOIDNMPPII-JTQLQIEISA-N 2 0 226.368 1.031 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303900882 644854343 /nfs/dbraw/zinc/85/43/43/644854343.db2.gz SKTDZDKMCQIMKL-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303880659 644854541 /nfs/dbraw/zinc/85/45/41/644854541.db2.gz KJLOCJZBKWRIRS-LBPRGKRZSA-N 2 0 240.395 1.420 20 30 BDEDRP CCCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304761255 644930796 /nfs/dbraw/zinc/93/07/96/644930796.db2.gz UCWDNEDOBRDKKT-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C#CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847005265 645413988 /nfs/dbraw/zinc/41/39/88/645413988.db2.gz RDTQZZZAFDINMD-ZIAGYGMSSA-N 2 0 238.375 1.034 20 30 BDEDRP C#C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000300848635 645898607 /nfs/dbraw/zinc/89/86/07/645898607.db2.gz DYWRAAGNZAJBSG-MCIONIFRSA-N 2 0 220.360 1.861 20 30 BDEDRP N#CCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925609268 646357355 /nfs/dbraw/zinc/35/73/55/646357355.db2.gz ROSQEGUDKUPTOC-MNOVXSKESA-N 2 0 207.321 1.540 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000925803585 646488919 /nfs/dbraw/zinc/48/89/19/646488919.db2.gz RQPWWGRWYBRCFO-SYQHCUMBSA-N 2 0 235.375 1.904 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303724658 711785585 /nfs/dbraw/zinc/78/55/85/711785585.db2.gz ZVRNVOSDLHXTAK-LLVKDONJSA-N 2 0 226.368 1.175 20 30 BDEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000716858559 712572482 /nfs/dbraw/zinc/57/24/82/712572482.db2.gz ZAKQDUFJLRFJGN-CQSZACIVSA-N 2 0 238.375 1.489 20 30 BDEDRP C=CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C(C)(C)C ZINC001253191540 969107194 /nfs/dbraw/zinc/10/71/94/969107194.db2.gz BPARLIBRNUTOSB-ZDUSSCGKSA-N 2 0 242.407 1.976 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001208597530 969152356 /nfs/dbraw/zinc/15/23/56/969152356.db2.gz ISSGUPMQNPDBTP-CYBMUJFWSA-N 2 0 221.348 1.564 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001173591992 975445074 /nfs/dbraw/zinc/44/50/74/975445074.db2.gz BKZRZYJSZUCZNR-CMOBGSAGSA-N 2 0 221.348 1.928 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001256950446 971028786 /nfs/dbraw/zinc/02/87/86/971028786.db2.gz DQQZWCNQHVDYLN-PYNQCMFNSA-N 2 0 221.348 1.928 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000405230206 971216343 /nfs/dbraw/zinc/21/63/43/971216343.db2.gz AHDQTGYZLRNVHK-ZIAGYGMSSA-N 2 0 241.338 1.918 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405434605 971253245 /nfs/dbraw/zinc/25/32/45/971253245.db2.gz BTRBYRJQTYDHFV-WDEREUQCSA-N 2 0 210.321 1.049 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405434597 971255192 /nfs/dbraw/zinc/25/51/92/971255192.db2.gz BTRBYRJQTYDHFV-GHMZBOCLSA-N 2 0 210.321 1.049 20 30 BDEDRP N#Cc1cc(N[C@H]([NH3+])CCC[NH3+])ncc1Cl ZINC001170893532 972044867 /nfs/dbraw/zinc/04/48/67/972044867.db2.gz BYFCVICTSDRJRK-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP N#CC1(c2ccnc(N[C@H]([NH3+])CCC[NH3+])c2)CC1 ZINC001170896277 972049607 /nfs/dbraw/zinc/04/96/07/972049607.db2.gz DQAJEZLTBPQQSE-NSHDSACASA-N 2 0 245.330 1.072 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246029803 972122241 /nfs/dbraw/zinc/12/22/41/972122241.db2.gz LWVLPFSLWCEFPM-UPJWGTAASA-N 2 0 226.364 1.230 20 30 BDEDRP N#CC1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC001246091253 972145987 /nfs/dbraw/zinc/14/59/87/972145987.db2.gz NYFFRZNJDJAPKM-WXRRBKDZSA-N 2 0 221.348 1.800 20 30 BDEDRP CC[C@H](CC#N)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477975 972348239 /nfs/dbraw/zinc/34/82/39/972348239.db2.gz RSSSKYCNZKCFDS-AXFHLTTASA-N 2 0 213.300 1.216 20 30 BDEDRP N#Cc1c(NC2=CC[NH2+]C2)sc2c1CC[NH2+]C2 ZINC001159159907 964006323 /nfs/dbraw/zinc/00/63/23/964006323.db2.gz UDRXMKHNJPZVCW-UHFFFAOYSA-N 2 0 246.339 1.164 20 30 BDEDRP C=CCCCNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159262885 964042190 /nfs/dbraw/zinc/04/21/90/964042190.db2.gz ZVZHQFOSLFLCAP-UHFFFAOYSA-N 2 0 246.358 1.869 20 30 BDEDRP N#Cc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1Cl ZINC001159779651 964192044 /nfs/dbraw/zinc/19/20/44/964192044.db2.gz GXXDFAMOVRAGHW-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP N#CC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168368284 964877105 /nfs/dbraw/zinc/87/71/05/964877105.db2.gz GASPSILUWQSYIW-UHFFFAOYSA-N 2 0 233.359 1.753 20 30 BDEDRP N#Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001205047176 967303059 /nfs/dbraw/zinc/30/30/59/967303059.db2.gz PYICWTQQVNFZNO-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP C=CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205947065 967897816 /nfs/dbraw/zinc/89/78/16/967897816.db2.gz WPZMLTYEQCVEIF-CHWSQXEVSA-N 2 0 226.364 1.517 20 30 BDEDRP N#C[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC001207439653 968775473 /nfs/dbraw/zinc/77/54/73/968775473.db2.gz XPTMTNRSZSCFCL-GFCCVEGCSA-N 2 0 207.321 1.364 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCC[NH+](CC)CC ZINC001252586426 968841056 /nfs/dbraw/zinc/84/10/56/968841056.db2.gz GXHIWOJPAJPMCB-CYBMUJFWSA-N 2 0 228.380 1.635 20 30 BDEDRP C#C[C@H]1CCCN(C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253394632 969153998 /nfs/dbraw/zinc/15/39/98/969153998.db2.gz OXSMYABGHIFGDU-QWHCGFSZSA-N 2 0 238.375 1.081 20 30 BDEDRP C=CC(C)(C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385225375 969190115 /nfs/dbraw/zinc/19/01/15/969190115.db2.gz SFTIRJATOGAGDO-NWBUJAPZSA-N 2 0 220.360 1.785 20 30 BDEDRP C=C[C@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001253586147 969265362 /nfs/dbraw/zinc/26/53/62/969265362.db2.gz HHZNECGLRFYUAE-LBPRGKRZSA-N 2 0 214.353 1.197 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CC1CC[NH+](CCCC)CC1 ZINC001253606955 969304272 /nfs/dbraw/zinc/30/42/72/969304272.db2.gz OTBVYDHTIBAFNJ-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(C)(C)S)C2 ZINC001169107439 969446676 /nfs/dbraw/zinc/44/66/76/969446676.db2.gz GTOJWVCIKXOEQZ-RTCCRHLQSA-N 2 0 228.405 1.910 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]CC23CC[NH+](CC2)CC3)C1 ZINC001254641769 969755964 /nfs/dbraw/zinc/75/59/64/969755964.db2.gz ASMZWPTURXGYBK-QWHCGFSZSA-N 2 0 233.359 1.754 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246544338 972615290 /nfs/dbraw/zinc/61/52/90/972615290.db2.gz XZPICDCYTSMRSR-RYUDHWBXSA-N 2 0 209.337 1.882 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172478012 974776885 /nfs/dbraw/zinc/77/68/85/974776885.db2.gz AWIGXHLARFDRAF-NEPJUHHUSA-N 2 0 209.337 1.610 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340334845 979013391 /nfs/dbraw/zinc/01/33/91/979013391.db2.gz SZQACCCKEIBZMZ-GHMZBOCLSA-N 2 0 241.379 1.160 20 30 BDEDRP C[N@H+]1CC[C@H]2C[NH+](CCCCC#N)C[C@H]2CC1 ZINC001277949375 979057122 /nfs/dbraw/zinc/05/71/22/979057122.db2.gz WJCGUUNYVVSGDQ-OKILXGFUSA-N 2 0 235.375 1.954 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)CCC[NH3+] ZINC001340936245 979169285 /nfs/dbraw/zinc/16/92/85/979169285.db2.gz NSGOHMIZOKIWCJ-LLVKDONJSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC001342107631 979660533 /nfs/dbraw/zinc/66/05/33/979660533.db2.gz NIFHRQBEEOJSKN-RYUDHWBXSA-N 2 0 241.379 1.126 20 30 BDEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC001345793341 980687684 /nfs/dbraw/zinc/68/76/84/980687684.db2.gz VBZATLTZXKPQJY-GFCCVEGCSA-N 2 0 246.314 1.105 20 30 BDEDRP C[NH+](C)CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001356570772 983631549 /nfs/dbraw/zinc/63/15/49/983631549.db2.gz VIFSEUTZXVQPFB-LBPRGKRZSA-N 2 0 241.379 1.219 20 30 BDEDRP C#CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214140 983806690 /nfs/dbraw/zinc/80/66/90/983806690.db2.gz MMTGVGIOGLPUNJ-UHFFFAOYSA-N 2 0 216.328 1.813 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001252575123 983829775 /nfs/dbraw/zinc/82/97/75/983829775.db2.gz VKAMSEDLWCJPJX-UONOGXRCSA-N 2 0 240.391 1.778 20 30 BDEDRP C#CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691884484 984888200 /nfs/dbraw/zinc/88/82/00/984888200.db2.gz QEMQNZWCVWLRFN-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP COCC#CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001578949669 985532807 /nfs/dbraw/zinc/53/28/07/985532807.db2.gz LLQMEQHBLVPNRT-AWEZNQCLSA-N 2 0 238.375 1.333 20 30 BDEDRP C#C[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001462216901 986311339 /nfs/dbraw/zinc/31/13/39/986311339.db2.gz FCIZDLROINAMGC-NSHDSACASA-N 2 0 226.283 1.379 20 30 BDEDRP N#CC1(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CCOCC1 ZINC001580037862 986438820 /nfs/dbraw/zinc/43/88/20/986438820.db2.gz AKVGPZVYOMHPQR-NEPJUHHUSA-N 2 0 237.347 1.024 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580039997 986448196 /nfs/dbraw/zinc/44/81/96/986448196.db2.gz BQXDDMWUWLORAY-NNYUYHANSA-N 2 0 207.321 1.396 20 30 BDEDRP N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001580047807 986474578 /nfs/dbraw/zinc/47/45/78/986474578.db2.gz PDIPYHPWFSVQCR-QWHCGFSZSA-N 2 0 221.348 1.612 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001580056331 986493759 /nfs/dbraw/zinc/49/37/59/986493759.db2.gz PLXXWVVHUIHLMX-UXGOBAPMSA-N 2 0 205.305 1.148 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001245986645 987264877 /nfs/dbraw/zinc/26/48/77/987264877.db2.gz YUXQJWPGKGREPK-UPJWGTAASA-N 2 0 226.364 1.149 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001245986643 987267940 /nfs/dbraw/zinc/26/79/40/987267940.db2.gz YUXQJWPGKGREPK-AGIUHOORSA-N 2 0 226.364 1.149 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246023743 987318301 /nfs/dbraw/zinc/31/83/01/987318301.db2.gz SQQGCBQQENCPPE-RYUDHWBXSA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034428 987337551 /nfs/dbraw/zinc/33/75/51/987337551.db2.gz NMIDSWHORKIUFK-QWHCGFSZSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034426 987337876 /nfs/dbraw/zinc/33/78/76/987337876.db2.gz NMIDSWHORKIUFK-CHWSQXEVSA-N 2 0 226.364 1.374 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246087748 987391101 /nfs/dbraw/zinc/39/11/01/987391101.db2.gz YSCVNWQMMWGXQQ-QWRGUYRKSA-N 2 0 207.321 1.540 20 30 BDEDRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C[NH2+]1 ZINC001246100916 987425008 /nfs/dbraw/zinc/42/50/08/987425008.db2.gz UOYBIKGGXOGMNS-FVCCEPFGSA-N 2 0 221.348 1.656 20 30 BDEDRP N#CC1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246200534 987596169 /nfs/dbraw/zinc/59/61/69/987596169.db2.gz QRROKODRCAWJDJ-OTTFEQOBSA-N 2 0 221.348 1.658 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246205294 987604609 /nfs/dbraw/zinc/60/46/09/987604609.db2.gz LIEKZXQVSVGKLW-RVMXOQNASA-N 2 0 221.348 1.799 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246475361 987831353 /nfs/dbraw/zinc/83/13/53/987831353.db2.gz GNUNBRDWNWHVCN-KXNHARMFSA-N 2 0 207.321 1.538 20 30 BDEDRP N#CC1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246474754 987832098 /nfs/dbraw/zinc/83/20/98/987832098.db2.gz BHHDVTMBNTVCNU-MVKMKZAISA-N 2 0 239.338 1.606 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246837453 988539276 /nfs/dbraw/zinc/53/92/76/988539276.db2.gz UFRCBMAXSNIHFR-HABKJSAYSA-N 2 0 218.344 1.615 20 30 BDEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001326143680 989393309 /nfs/dbraw/zinc/39/33/09/989393309.db2.gz ZLFVLKGDKZJEHN-YYHQMBLXSA-N 2 0 237.347 1.021 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540114 989738491 /nfs/dbraw/zinc/73/84/91/989738491.db2.gz BYQLNUBLEKRXLN-NWDGAFQWSA-N 2 0 241.379 1.304 20 30 BDEDRP CCC[NH+]1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001258771075 991730685 /nfs/dbraw/zinc/73/06/85/991730685.db2.gz YTTMDIMHUGEWRX-UHFFFAOYSA-N 2 0 221.348 1.753 20 30 BDEDRP COc1cc(C#N)ccc1CN1CCC([NH3+])CC1 ZINC001574012731 992794585 /nfs/dbraw/zinc/79/45/85/992794585.db2.gz QNIZKLMVKUXQOP-UHFFFAOYSA-N 2 0 245.326 1.490 20 30 BDEDRP C#C[C@H](C)[N@H+](C)Cc1cccc(C[NH3+])c1 ZINC001574459176 992862573 /nfs/dbraw/zinc/86/25/73/992862573.db2.gz ZAGFEWKVODOGMD-NSHDSACASA-N 2 0 202.301 1.599 20 30 BDEDRP C=CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574888558 992935349 /nfs/dbraw/zinc/93/53/49/992935349.db2.gz GNIPUXVQMPDBBS-GFCCVEGCSA-N 2 0 249.358 1.743 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH2+]C ZINC001574901213 992941602 /nfs/dbraw/zinc/94/16/02/992941602.db2.gz BYABTVDVPUXVIQ-ZIAGYGMSSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001574960695 992950421 /nfs/dbraw/zinc/95/04/21/992950421.db2.gz UCOHILFHZXFPSE-AEJSXWLSSA-N 2 0 234.290 1.150 20 30 BDEDRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001575428714 993039794 /nfs/dbraw/zinc/03/97/94/993039794.db2.gz KIZVTMXIAKADKI-QJPTWQEYSA-N 2 0 209.337 1.499 20 30 BDEDRP C=CCCC[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000379802751 993281416 /nfs/dbraw/zinc/28/14/16/993281416.db2.gz KWRHFPIAHRPYRX-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000576283625 365550962 /nfs/dbraw/zinc/55/09/62/365550962.db2.gz WNGFHTQYFZGKJT-JSGCOSHPSA-N 2 0 229.327 1.775 20 30 BDEDRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779284 136221552 /nfs/dbraw/zinc/22/15/52/136221552.db2.gz NUMZJWLRXSAWHW-VXGBXAGGSA-N 2 0 221.348 1.610 20 30 BDEDRP CN1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602525683 349577297 /nfs/dbraw/zinc/57/72/97/349577297.db2.gz BRAPFFHXMULVQJ-BPCQOVAHSA-N 2 0 221.348 1.753 20 30 BDEDRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCC#N)C1 ZINC000602888658 349793714 /nfs/dbraw/zinc/79/37/14/349793714.db2.gz AICMXHHROXKVNC-ZDUSSCGKSA-N 2 0 239.363 1.069 20 30 BDEDRP C=CCOCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000339011633 136279657 /nfs/dbraw/zinc/27/96/57/136279657.db2.gz BZAQORRKQBCYMH-CYBMUJFWSA-N 2 0 226.364 1.463 20 30 BDEDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000234731202 344236709 /nfs/dbraw/zinc/23/67/09/344236709.db2.gz XOHVSEUSGQYXKD-CQSZACIVSA-N 2 0 247.342 1.402 20 30 BDEDRP CC#CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158743176 345369466 /nfs/dbraw/zinc/36/94/66/345369466.db2.gz RJFFRSQSJKTLRN-OLZOCXBDSA-N 2 0 206.333 1.426 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401056530 346085501 /nfs/dbraw/zinc/08/55/01/346085501.db2.gz HZBUYFQNDUWNOI-JHJVBQTASA-N 2 0 240.416 1.883 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000591570751 347675818 /nfs/dbraw/zinc/67/58/18/347675818.db2.gz IPSZTQRMYVLKNU-SMDDNHRTSA-N 2 0 247.317 1.914 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470676 347789278 /nfs/dbraw/zinc/78/92/78/347789278.db2.gz COZBYNNLIYVIHW-SDDRHHMPSA-N 2 0 207.321 1.268 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594521212 348069655 /nfs/dbraw/zinc/06/96/55/348069655.db2.gz MQJMHXIXBHLMAO-GASCZTMLSA-N 2 0 243.354 1.988 20 30 BDEDRP N#CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594943818 348144871 /nfs/dbraw/zinc/14/48/71/348144871.db2.gz QNSXPFUIBZIAEM-UHFFFAOYSA-N 2 0 241.298 1.661 20 30 BDEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000530209418 323209839 /nfs/dbraw/zinc/20/98/39/323209839.db2.gz HMNUGWRQDVBVIO-FRRDWIJNSA-N 2 0 240.391 1.931 20 30 BDEDRP C[N@H+](CCC[NH3+])Cc1cccc(C#N)c1 ZINC000133727616 351597568 /nfs/dbraw/zinc/59/75/68/351597568.db2.gz LVGBVXBLBJBZGG-UHFFFAOYSA-N 2 0 203.289 1.339 20 30 BDEDRP CC[N@@H+]1CC[C@@H](N(C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296477 353407210 /nfs/dbraw/zinc/40/72/10/353407210.db2.gz DGJXSAQJMGDJCD-QWHCGFSZSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334541161 353975584 /nfs/dbraw/zinc/97/55/84/353975584.db2.gz SVHSRCNZYQJNJW-OLZOCXBDSA-N 2 0 208.349 1.979 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245328 181105776 /nfs/dbraw/zinc/10/57/76/181105776.db2.gz ZCNVLBKOXCOUSH-ZDUSSCGKSA-N 2 0 215.300 1.339 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329518977 355926955 /nfs/dbraw/zinc/92/69/55/355926955.db2.gz NTKUEIPAXAWNBA-GMTAPVOTSA-N 2 0 230.315 1.549 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423017667 192542260 /nfs/dbraw/zinc/54/22/60/192542260.db2.gz PGFJHSJKJBVJLK-VXGBXAGGSA-N 2 0 214.353 1.278 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423095473 192565973 /nfs/dbraw/zinc/56/59/73/192565973.db2.gz MLXBSZJNAJFTCO-VOAKCMCISA-N 2 0 224.348 1.437 20 30 BDEDRP C=CCCC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639762809 356686933 /nfs/dbraw/zinc/68/69/33/356686933.db2.gz OODIPOGGRVECIB-CYBMUJFWSA-N 2 0 226.364 1.341 20 30 BDEDRP C=CCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765957 356696817 /nfs/dbraw/zinc/69/68/17/356696817.db2.gz KVCMDBBYECNFRW-CQSZACIVSA-N 2 0 240.391 1.731 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149863 357026050 /nfs/dbraw/zinc/02/60/50/357026050.db2.gz XHBDXWGQYNXCEW-KBPBESRZSA-N 2 0 229.327 1.775 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000305082832 134239701 /nfs/dbraw/zinc/23/97/01/134239701.db2.gz MXJGEXBPJLYTAP-UONOGXRCSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCCOCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090883940 491130054 /nfs/dbraw/zinc/13/00/54/491130054.db2.gz GYRXZNSMJBNUGB-ZDUSSCGKSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399023 361046825 /nfs/dbraw/zinc/04/68/25/361046825.db2.gz APEUJKXKUQWULC-RYUDHWBXSA-N 2 0 214.353 1.542 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000629500774 361101030 /nfs/dbraw/zinc/10/10/30/361101030.db2.gz XWYPICMLOUDCBO-GFCCVEGCSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000629546501 361427244 /nfs/dbraw/zinc/42/72/44/361427244.db2.gz CZIBRLXVUTYXQM-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP CCCC[C@@H](C[NH3+])NCc1ccc(C#N)o1 ZINC000600769480 369560694 /nfs/dbraw/zinc/56/06/94/369560694.db2.gz NIOYOHVSXQWHLC-JTQLQIEISA-N 2 0 221.304 1.758 20 30 BDEDRP CC[C@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769780 369563465 /nfs/dbraw/zinc/56/34/65/369563465.db2.gz ZWLXJNMSXMRHHN-GWCFXTLKSA-N 2 0 233.315 1.710 20 30 BDEDRP C[C@H]1C[C@H]([NH3+])CN1CCc1ccc(C#N)cc1 ZINC000601329708 369621669 /nfs/dbraw/zinc/62/16/69/369621669.db2.gz MMNBNVOAQKSTGS-FZMZJTMJSA-N 2 0 229.327 1.522 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000602023543 369738531 /nfs/dbraw/zinc/73/85/31/369738531.db2.gz XRNDDBNHQKNEIS-BXUZGUMPSA-N 2 0 229.327 1.585 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334535 371485278 /nfs/dbraw/zinc/48/52/78/371485278.db2.gz BSZWBHZDSPBTPB-XQQFMLRXSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000424380947 206038761 /nfs/dbraw/zinc/03/87/61/206038761.db2.gz QHISMNIGZMXAIT-FQUUOJAGSA-N 2 0 238.375 1.827 20 30 BDEDRP C[C@H]1C[C@H]([NH2+]CCCCC#N)CN1C1CC1 ZINC000167263237 206146260 /nfs/dbraw/zinc/14/62/60/206146260.db2.gz FWLYDWNJPGQBIE-RYUDHWBXSA-N 2 0 221.348 1.895 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@@H+]1C ZINC000156231226 385443058 /nfs/dbraw/zinc/44/30/58/385443058.db2.gz LIWALUVNSIVAMF-RYUDHWBXSA-N 2 0 209.337 1.753 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170905401 385454674 /nfs/dbraw/zinc/45/46/74/385454674.db2.gz NLHVNYAUWQIVBH-NSHDSACASA-N 2 0 247.346 1.150 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000335502715 386632717 /nfs/dbraw/zinc/63/27/17/386632717.db2.gz WXWUOIJBALZBPC-IKWCTNDRSA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCOCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000645083306 386709278 /nfs/dbraw/zinc/70/92/78/386709278.db2.gz KYDZEZZDYIFZLC-ZDUSSCGKSA-N 2 0 235.331 1.723 20 30 BDEDRP C=CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334969104 387053525 /nfs/dbraw/zinc/05/35/25/387053525.db2.gz NUSMDRCKQPLHPJ-OLZOCXBDSA-N 2 0 224.348 1.391 20 30 BDEDRP N#C[C@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423309502 387147214 /nfs/dbraw/zinc/14/72/14/387147214.db2.gz ZXPCWVIAQRIEKS-SRVKXCTJSA-N 2 0 207.321 1.410 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357165 387208070 /nfs/dbraw/zinc/20/80/70/387208070.db2.gz HVWCBLIBTKDGQC-YNEHKIRRSA-N 2 0 221.348 1.800 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423545599 387367867 /nfs/dbraw/zinc/36/78/67/387367867.db2.gz YBQXTYFECBGAKW-KGLIPLIRSA-N 2 0 233.359 1.968 20 30 BDEDRP C=CCSCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422949814 387807532 /nfs/dbraw/zinc/80/75/32/387807532.db2.gz WPURGPNFPBSPQD-UWVGGRQHSA-N 2 0 202.367 1.621 20 30 BDEDRP C=CCCOCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423015235 387839102 /nfs/dbraw/zinc/83/91/02/387839102.db2.gz QNHUURAATBBYEP-QWRGUYRKSA-N 2 0 200.326 1.295 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H]1CCC12CCC2 ZINC000393214173 387877091 /nfs/dbraw/zinc/87/70/91/387877091.db2.gz KNPUWFAKHXWZHU-ZDUSSCGKSA-N 2 0 220.360 1.864 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423097586 387886406 /nfs/dbraw/zinc/88/64/06/387886406.db2.gz QTYUTSSDAJSHAD-SYQHCUMBSA-N 2 0 238.375 1.685 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423167773 387953101 /nfs/dbraw/zinc/95/31/01/387953101.db2.gz XDSIJGOBMUVDHM-BPCQOVAHSA-N 2 0 226.364 1.421 20 30 BDEDRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424364032 387990842 /nfs/dbraw/zinc/99/08/42/387990842.db2.gz CSLSRJCBLKJOEA-YVECIDJPSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000038041063 388599785 /nfs/dbraw/zinc/59/97/85/388599785.db2.gz KQEPFVCSROEROH-LLVKDONJSA-N 2 0 229.327 1.961 20 30 BDEDRP C[N@@H+](Cc1ccc(C#N)o1)CC1CC[NH+](C)CC1 ZINC000093088875 388739750 /nfs/dbraw/zinc/73/97/50/388739750.db2.gz BFSYOBBVEKGEQV-UHFFFAOYSA-N 2 0 247.342 1.925 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000360249243 134199306 /nfs/dbraw/zinc/19/93/06/134199306.db2.gz CFBITBDDKISDGH-ZDUSSCGKSA-N 2 0 240.391 1.778 20 30 BDEDRP CC1CCN(C(=[NH2+])NCC(C)(C)[NH+](C)C)CC1 ZINC000303380528 134233773 /nfs/dbraw/zinc/23/37/73/134233773.db2.gz REJRHBQVUMEFFB-UHFFFAOYSA-N 2 0 240.395 1.373 20 30 BDEDRP N#Cc1cccc(CN2CCC[C@@H]2C[NH3+])c1 ZINC000168785960 134247910 /nfs/dbraw/zinc/24/79/10/134247910.db2.gz IJLUPYSEMYCDTH-CYBMUJFWSA-N 2 0 215.300 1.481 20 30 BDEDRP C=CC[N@@H+](CCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000234687445 134384997 /nfs/dbraw/zinc/38/49/97/134384997.db2.gz SHBJAAYBJHZGEJ-STQMWFEESA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000338549524 135038985 /nfs/dbraw/zinc/03/89/85/135038985.db2.gz SAEXIIPXYTVLNQ-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000261858072 135258478 /nfs/dbraw/zinc/25/84/78/135258478.db2.gz AAEUDHDPJISBNM-LBPRGKRZSA-N 2 0 240.395 1.340 20 30 BDEDRP CN(C)C(=[NH+]CC[N@H+](C)C1CCCC1)N(C)C ZINC000262524949 135304237 /nfs/dbraw/zinc/30/42/37/135304237.db2.gz KMPGZXJMNTWUAH-UHFFFAOYSA-N 2 0 240.395 1.340 20 30 BDEDRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC1CCC1 ZINC000263026554 135327705 /nfs/dbraw/zinc/32/77/05/135327705.db2.gz ATYBBPLNXIEBKX-UHFFFAOYSA-N 2 0 243.314 1.291 20 30 BDEDRP C=CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000348035498 136028341 /nfs/dbraw/zinc/02/83/41/136028341.db2.gz OVSTWEURLDGKMX-AWEZNQCLSA-N 2 0 240.391 1.853 20 30 BDEDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CCCC#N)C[C@H]2C1 ZINC001172500892 974853363 /nfs/dbraw/zinc/85/33/63/974853363.db2.gz CCHLSHNGXPIYAT-BFHYXJOUSA-N 2 0 235.375 1.952 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000665263014 410737901 /nfs/dbraw/zinc/73/79/01/410737901.db2.gz DRIGJIOEQTYURA-NWDGAFQWSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400930125 411162806 /nfs/dbraw/zinc/16/28/06/411162806.db2.gz OANDUIHKNAKTKU-QNWHQSFQSA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657659215 411572373 /nfs/dbraw/zinc/57/23/73/411572373.db2.gz RMQVGXOJFXASKO-KGLIPLIRSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662298945 412085646 /nfs/dbraw/zinc/08/56/46/412085646.db2.gz HQMVJZKMAZTFPD-QWHCGFSZSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](C)COC ZINC000662299651 412086875 /nfs/dbraw/zinc/08/68/75/412086875.db2.gz TYTRZGPBBLHYFL-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP C=C(CC)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325294 412103211 /nfs/dbraw/zinc/10/32/11/412103211.db2.gz LCIHGRLMJHJHEV-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665263144 412205614 /nfs/dbraw/zinc/20/56/14/412205614.db2.gz GTKZVDRVOZARAK-MNOVXSKESA-N 2 0 200.326 1.295 20 30 BDEDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000227329014 172982211 /nfs/dbraw/zinc/98/22/11/172982211.db2.gz BXSHBBAGNOZQBD-UHFFFAOYSA-N 2 0 247.342 1.973 20 30 BDEDRP C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1C[NH2+]C1 ZINC000567895694 326278298 /nfs/dbraw/zinc/27/82/98/326278298.db2.gz UOANWGBGSHRJLP-LLVKDONJSA-N 2 0 229.327 1.450 20 30 BDEDRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000567987256 326291714 /nfs/dbraw/zinc/29/17/14/326291714.db2.gz XOXWSEZIQCXMLU-JTQLQIEISA-N 2 0 203.289 1.385 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCN(CC)CCO ZINC000186578102 487988406 /nfs/dbraw/zinc/98/84/06/487988406.db2.gz DXRSGOYNEZZVKC-QWHCGFSZSA-N 2 0 228.380 1.491 20 30 BDEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683227274 488133552 /nfs/dbraw/zinc/13/35/52/488133552.db2.gz XAZMJWUPDWDWPW-CHWSQXEVSA-N 2 0 226.364 1.340 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000341888592 534403153 /nfs/dbraw/zinc/40/31/53/534403153.db2.gz QBHSTLOZGCGRJX-RDBSUJKOSA-N 2 0 240.391 1.491 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CC1 ZINC000262462493 535549927 /nfs/dbraw/zinc/54/99/27/535549927.db2.gz MTPHUVPYBAIVLN-LLVKDONJSA-N 2 0 238.379 1.175 20 30 BDEDRP C[NH+]1CCC2(CCC[N@H+](CCC#N)C2)CC1 ZINC000367199392 536347046 /nfs/dbraw/zinc/34/70/46/536347046.db2.gz JNNBEGGWSOUUCT-UHFFFAOYSA-N 2 0 221.348 1.708 20 30 BDEDRP C[NH+]=C(NCCCC[N@H+](C)C1CC1)NC1CC1 ZINC000849039924 582838265 /nfs/dbraw/zinc/83/82/65/582838265.db2.gz YRCANKSUHZIEEG-UHFFFAOYSA-N 2 0 238.379 1.188 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335393 588943919 /nfs/dbraw/zinc/94/39/19/588943919.db2.gz YTCYAGMGXQQAQS-CHWSQXEVSA-N 2 0 238.375 1.487 20 30 BDEDRP CCNC(NCC[N@@H+]1CCC(C)(C)C1)=[NH+]CC ZINC000899263557 584191073 /nfs/dbraw/zinc/19/10/73/584191073.db2.gz CBXUYEOFCGFILP-UHFFFAOYSA-N 2 0 240.395 1.293 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372735 584566809 /nfs/dbraw/zinc/56/68/09/584566809.db2.gz YULMRXBUKFEWMG-GFCCVEGCSA-N 2 0 226.364 1.557 20 30 BDEDRP CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000902443586 584598419 /nfs/dbraw/zinc/59/84/19/584598419.db2.gz LEZIDQBMTAWKKF-TUAOUCFPSA-N 2 0 221.348 1.656 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000903563699 584782264 /nfs/dbraw/zinc/78/22/64/584782264.db2.gz JSBSBSGAWQJEBS-NEPJUHHUSA-N 2 0 207.321 1.222 20 30 BDEDRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(C#N)c1 ZINC000904386386 584877982 /nfs/dbraw/zinc/87/79/82/584877982.db2.gz YBZWSAQYRYMEDE-JKDOVBDQSA-N 2 0 229.327 1.946 20 30 BDEDRP C#CCOc1ccc([C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000817971904 584994003 /nfs/dbraw/zinc/99/40/03/584994003.db2.gz RAKZSOAUZCUZSM-NWDGAFQWSA-N 2 0 232.327 1.696 20 30 BDEDRP Cc1nc[nH]c1C=NNCC[NH+]1CCCCC1 ZINC000755655682 585303550 /nfs/dbraw/zinc/30/35/50/585303550.db2.gz DYSGDUFJLAHFBT-UHFFFAOYSA-N 2 0 235.335 1.128 20 30 BDEDRP C#CCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000766917395 585511602 /nfs/dbraw/zinc/51/16/02/585511602.db2.gz HERHSQMFIRMKCL-HNNXBMFYSA-N 2 0 249.402 1.112 20 30 BDEDRP C#C[C@@H](C)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)C#C ZINC000769963540 585567974 /nfs/dbraw/zinc/56/79/74/585567974.db2.gz WARNIEGWYSMJLH-BTUFVMOBSA-N 2 0 218.344 1.450 20 30 BDEDRP C#CCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000832543691 587665423 /nfs/dbraw/zinc/66/54/23/587665423.db2.gz IAIOMQHXZJKQDA-UHFFFAOYSA-N 2 0 237.391 1.015 20 30 BDEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC1CC1 ZINC000848996245 588429177 /nfs/dbraw/zinc/42/91/77/588429177.db2.gz MWVXLLJEFVFVNF-NSHDSACASA-N 2 0 238.379 1.044 20 30 BDEDRP CCC[NH+](CCC)CCCNC1=[NH+]CCN1C ZINC000848996038 588429182 /nfs/dbraw/zinc/42/91/82/588429182.db2.gz CVYGSPKDJFROTO-UHFFFAOYSA-N 2 0 240.395 1.390 20 30 BDEDRP C=CCNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000849007205 588433055 /nfs/dbraw/zinc/43/30/55/588433055.db2.gz AUTIWNOSNZEUMU-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP CC(C)[NH+](CCCNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000849010826 588435200 /nfs/dbraw/zinc/43/52/00/588435200.db2.gz MWGXKZHNGULXJW-LBPRGKRZSA-N 2 0 240.395 1.433 20 30 BDEDRP C=C(CC)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849038191 588446358 /nfs/dbraw/zinc/44/63/58/588446358.db2.gz KTBHMKUTCLGEDO-GFCCVEGCSA-N 2 0 238.379 1.551 20 30 BDEDRP CC(C)C[N@H+](C)CCCNC1=[NH+]CCCN1C ZINC000849047505 588450592 /nfs/dbraw/zinc/45/05/92/588450592.db2.gz ZEDDNOUJUVKWOM-UHFFFAOYSA-N 2 0 240.395 1.245 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000119100574 589242330 /nfs/dbraw/zinc/24/23/30/589242330.db2.gz UXOWSGQBGWNRRL-OLZOCXBDSA-N 2 0 240.416 1.673 20 30 BDEDRP C=CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879574286 590813523 /nfs/dbraw/zinc/81/35/23/590813523.db2.gz YZSWWTDFMJZRDL-QWHCGFSZSA-N 2 0 208.349 1.979 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879575875 590814092 /nfs/dbraw/zinc/81/40/92/590814092.db2.gz NRDOSJMWHSNECU-MELADBBJSA-N 2 0 238.375 1.340 20 30 BDEDRP C#CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261541 590980104 /nfs/dbraw/zinc/98/01/04/590980104.db2.gz WDKDTMQKTKDPCQ-CYBMUJFWSA-N 2 0 229.327 1.615 20 30 BDEDRP C=CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130256 592448425 /nfs/dbraw/zinc/44/84/25/592448425.db2.gz AFICGEXLPDJRQA-LBPRGKRZSA-N 2 0 217.316 1.778 20 30 BDEDRP CCCCCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155031 592602170 /nfs/dbraw/zinc/60/21/70/592602170.db2.gz AEGMSZOFQUBLGM-UHFFFAOYSA-N 2 0 242.411 1.811 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000104192951 592604805 /nfs/dbraw/zinc/60/48/05/592604805.db2.gz LVFQLRHVZRTNOQ-SNVBAGLBSA-N 2 0 226.368 1.126 20 30 BDEDRP CCCNC(=[NH2+])NC[C@H](C(CC)CC)[NH+](C)C ZINC000104161068 634511397 /nfs/dbraw/zinc/51/13/97/634511397.db2.gz CRJUPJKOLMYTCS-GFCCVEGCSA-N 2 0 242.411 1.667 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000925882478 635611324 /nfs/dbraw/zinc/61/13/24/635611324.db2.gz NAFGVROYEJMQQH-RVMXOQNASA-N 2 0 221.348 1.786 20 30 BDEDRP C=CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328559798 633777321 /nfs/dbraw/zinc/77/73/21/633777321.db2.gz FCLAIGOEOSXIKL-JZRPKSSGSA-N 2 0 206.333 1.539 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925702378 634375589 /nfs/dbraw/zinc/37/55/89/634375589.db2.gz CARVPJZUXMJDGX-USZNOCQGSA-N 2 0 219.332 1.538 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925702379 634376780 /nfs/dbraw/zinc/37/67/80/634376780.db2.gz CARVPJZUXMJDGX-WHOHXGKFSA-N 2 0 219.332 1.538 20 30 BDEDRP N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925815100 635380569 /nfs/dbraw/zinc/38/05/69/635380569.db2.gz SZBKBYCCTRBPLP-RISCZKNCSA-N 2 0 247.317 1.914 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303260113 636305694 /nfs/dbraw/zinc/30/56/94/636305694.db2.gz MSNKJYBFQHGKMZ-LLVKDONJSA-N 2 0 240.395 1.421 20 30 BDEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000303488791 636309488 /nfs/dbraw/zinc/30/94/88/636309488.db2.gz WKFRXMIGHUXQPE-JTQLQIEISA-N 2 0 226.368 1.044 20 30 BDEDRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303889881 636315179 /nfs/dbraw/zinc/31/51/79/636315179.db2.gz MGLUWZKGWXGEPA-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000383202026 711465686 /nfs/dbraw/zinc/46/56/86/711465686.db2.gz VJAPLGUJHRVGKR-UHFFFAOYSA-N 2 0 247.367 1.664 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC([NH3+])(CC)CC ZINC000911857293 639860161 /nfs/dbraw/zinc/86/01/61/639860161.db2.gz GSEWGZOABRKJIU-LLVKDONJSA-N 2 0 241.379 1.304 20 30 BDEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000044515451 640398742 /nfs/dbraw/zinc/39/87/42/640398742.db2.gz IEYRWRNDISYOFP-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])N(C)C)C1 ZINC000170913489 640938225 /nfs/dbraw/zinc/93/82/25/640938225.db2.gz RNSIYZDWAZGIGS-TXEJJXNPSA-N 2 0 240.395 1.231 20 30 BDEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])N(C)C)C1 ZINC000170913493 640938586 /nfs/dbraw/zinc/93/85/86/640938586.db2.gz RNSIYZDWAZGIGS-VXGBXAGGSA-N 2 0 240.395 1.231 20 30 BDEDRP N#Cc1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000087651634 640957627 /nfs/dbraw/zinc/95/76/27/640957627.db2.gz WHFYIIVIVOZQPX-UHFFFAOYSA-N 2 0 201.273 1.138 20 30 BDEDRP C[NH+]=C(NCCC[NH+]1CCCCC1)NC1CC1 ZINC000171408497 640975253 /nfs/dbraw/zinc/97/52/53/640975253.db2.gz ANWBHXWAJGKFJH-UHFFFAOYSA-N 2 0 238.379 1.190 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000231801157 641205692 /nfs/dbraw/zinc/20/56/92/641205692.db2.gz SUMKWDBXKFRRRN-NEPJUHHUSA-N 2 0 212.337 1.296 20 30 BDEDRP CC(C)C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C ZINC000305829380 642704014 /nfs/dbraw/zinc/70/40/14/642704014.db2.gz SOSJGXQPCUTOMO-LBPRGKRZSA-N 2 0 240.395 1.372 20 30 BDEDRP CC(C)[NH+](CCNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000305825838 642704679 /nfs/dbraw/zinc/70/46/79/642704679.db2.gz QYKORFPSUUBVGS-UHFFFAOYSA-N 2 0 240.395 1.514 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000923294683 644331617 /nfs/dbraw/zinc/33/16/17/644331617.db2.gz OHYMPTYTXWEHCB-NSHDSACASA-N 2 0 214.353 1.230 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329690 644349605 /nfs/dbraw/zinc/34/96/05/644349605.db2.gz XHIMKNHRPGJRPM-QNMSZWNNSA-N 2 0 238.375 1.528 20 30 BDEDRP N#Cc1ccc([C@H](O)CNCC2([NH3+])CCC2)cc1 ZINC000923333054 644353817 /nfs/dbraw/zinc/35/38/17/644353817.db2.gz OMGSGMAPEBCDOH-CYBMUJFWSA-N 2 0 245.326 1.063 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366294 644378367 /nfs/dbraw/zinc/37/83/67/644378367.db2.gz JPKFYIOMRIJGOV-KBPBESRZSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366297 644379115 /nfs/dbraw/zinc/37/91/15/644379115.db2.gz JPKFYIOMRIJGOV-ZIAGYGMSSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923387944 644398763 /nfs/dbraw/zinc/39/87/63/644398763.db2.gz PDTOSEXNPPTRHL-HZSPNIEDSA-N 2 0 240.391 1.763 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409289 644412262 /nfs/dbraw/zinc/41/22/62/644412262.db2.gz NDCYRTIOXUTROP-MELADBBJSA-N 2 0 238.375 1.245 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415270 644416196 /nfs/dbraw/zinc/41/61/96/644416196.db2.gz ROBUACAQMJFBPA-MELADBBJSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415451 644417124 /nfs/dbraw/zinc/41/71/24/644417124.db2.gz ROBUACAQMJFBPA-RDBSUJKOSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923445106 644429942 /nfs/dbraw/zinc/42/99/42/644429942.db2.gz XITNFOWYWHMHCQ-STQMWFEESA-N 2 0 238.375 1.781 20 30 BDEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246280717 644577680 /nfs/dbraw/zinc/57/76/80/644577680.db2.gz BNBNARCWVHBWFK-STQMWFEESA-N 2 0 238.400 1.569 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)CC)C1 ZINC000303267151 644813175 /nfs/dbraw/zinc/81/31/75/644813175.db2.gz WVRKBOAISNQEGX-NWDGAFQWSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303709722 644837853 /nfs/dbraw/zinc/83/78/53/644837853.db2.gz NXNLNVIGOHEONO-GFCCVEGCSA-N 2 0 238.379 1.271 20 30 BDEDRP CC(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303770767 644844878 /nfs/dbraw/zinc/84/48/78/644844878.db2.gz CCLPZCLWYKQCAS-LBPRGKRZSA-N 2 0 242.411 1.523 20 30 BDEDRP CCCCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303863995 644850657 /nfs/dbraw/zinc/85/06/57/644850657.db2.gz AULNUCIWWPNJSR-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303868922 644850765 /nfs/dbraw/zinc/85/07/65/644850765.db2.gz AQHSOOJELSNCSK-NSHDSACASA-N 2 0 226.368 1.033 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303876316 644852528 /nfs/dbraw/zinc/85/25/28/644852528.db2.gz DWKCUHHTYWPBCE-RYUDHWBXSA-N 2 0 240.395 1.420 20 30 BDEDRP CC[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000303898504 644856444 /nfs/dbraw/zinc/85/64/44/644856444.db2.gz QZPIDIGOXCPGCQ-NSHDSACASA-N 2 0 240.395 1.564 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303980626 644862337 /nfs/dbraw/zinc/86/23/37/644862337.db2.gz OHGMRGAKBQTFNP-LBPRGKRZSA-N 2 0 240.395 1.373 20 30 BDEDRP CC[NH+]1CCC(CCNC(=[NH2+])NC(C)C)CC1 ZINC000304748277 644929555 /nfs/dbraw/zinc/92/95/55/644929555.db2.gz HBCLJFUKMRZEFU-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP C#CC[NH+](C)CCCC[N@H+](CC#C)C[C@H]1C[C@H]1C ZINC000859740542 645686234 /nfs/dbraw/zinc/68/62/34/645686234.db2.gz NUPCXZFQHJJWLH-HZPDHXFCSA-N 2 0 246.398 1.923 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925547965 646326994 /nfs/dbraw/zinc/32/69/94/646326994.db2.gz DWWHJGUVLHTIQM-CYBMUJFWSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925630220 646376214 /nfs/dbraw/zinc/37/62/14/646376214.db2.gz OLYPMGSZSZETAS-OLZOCXBDSA-N 2 0 238.375 1.435 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925654675 646394422 /nfs/dbraw/zinc/39/44/22/646394422.db2.gz HHNXRSLDEMXOMV-AGIUHOORSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925769506 646470380 /nfs/dbraw/zinc/47/03/80/646470380.db2.gz FGMLXDGBBIFTFS-QJPTWQEYSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CC[C@H](CC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000393761447 711790621 /nfs/dbraw/zinc/79/06/21/711790621.db2.gz XEDUCRMOTYKUGJ-VZKILSJISA-N 2 0 220.360 1.927 20 30 BDEDRP C=C(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000386862065 711819766 /nfs/dbraw/zinc/81/97/66/711819766.db2.gz JQOVSPJMXRTIQR-OBPIAQAESA-N 2 0 206.333 1.539 20 30 BDEDRP N#Cc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711507 711535904 /nfs/dbraw/zinc/53/59/04/711535904.db2.gz BMYMIGMWLRPAKL-GFCCVEGCSA-N 2 0 229.327 1.729 20 30 BDEDRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OCC#N)cc1 ZINC000037713685 712744673 /nfs/dbraw/zinc/74/46/73/712744673.db2.gz YLWQZGSMYCWMDO-NSHDSACASA-N 2 0 233.315 1.588 20 30 BDEDRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OCC#N)cc1 ZINC000037713686 712745094 /nfs/dbraw/zinc/74/50/94/712745094.db2.gz YLWQZGSMYCWMDO-LLVKDONJSA-N 2 0 233.315 1.588 20 30 BDEDRP C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641638 969755856 /nfs/dbraw/zinc/75/58/56/969755856.db2.gz CMAQMVOUIXWGTQ-IKWCTNDRSA-N 2 0 221.348 1.880 20 30 BDEDRP C=CC[NH2+]CCN(CC)CC[NH+]1CCCCC1 ZINC001235960701 979227265 /nfs/dbraw/zinc/22/72/65/979227265.db2.gz MCEDYTPCLUMMLH-UHFFFAOYSA-N 2 0 239.407 1.570 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237217529 979849429 /nfs/dbraw/zinc/84/94/29/979849429.db2.gz ATRMJELDACLYSL-CYBMUJFWSA-N 2 0 221.348 1.104 20 30 BDEDRP C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001327416175 972570802 /nfs/dbraw/zinc/57/08/02/972570802.db2.gz PNEWPCNZYKDSBO-BFHYXJOUSA-N 2 0 238.375 1.651 20 30 BDEDRP CC(C)(C)[NH+]1CCC([NH2+]CCS)CC1 ZINC001256554851 970859373 /nfs/dbraw/zinc/85/93/73/970859373.db2.gz NDYVWAWRKAYFBJ-UHFFFAOYSA-N 2 0 216.394 1.769 20 30 BDEDRP N#CCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676756 970917581 /nfs/dbraw/zinc/91/75/81/970917581.db2.gz VOGWTJRJMCCFTK-UHFFFAOYSA-N 2 0 237.347 1.133 20 30 BDEDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@@H]2C1 ZINC001256971319 971049694 /nfs/dbraw/zinc/04/96/94/971049694.db2.gz OJYAXBMNYMPGTF-HFDVOGEKSA-N 2 0 247.386 1.952 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001218211219 971630114 /nfs/dbraw/zinc/63/01/14/971630114.db2.gz SWXSMNMKAMYQLT-ZNMIVQPWSA-N 2 0 244.338 1.798 20 30 BDEDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(CS)cc1 ZINC001170904801 972080116 /nfs/dbraw/zinc/08/01/16/972080116.db2.gz PJSIIMYZIYLMNB-LLVKDONJSA-N 2 0 225.361 1.552 20 30 BDEDRP N#CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246444450 972318249 /nfs/dbraw/zinc/31/82/49/972318249.db2.gz ABXCZXUPYHYTDS-KTMJHZKESA-N 2 0 205.305 1.161 20 30 BDEDRP CC[C@@H](CC#N)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246477976 972348865 /nfs/dbraw/zinc/34/88/65/972348865.db2.gz RSSSKYCNZKCFDS-DCAQKATOSA-N 2 0 213.300 1.216 20 30 BDEDRP CC[N@H+](CCC#N)CCC1CC[NH+](C)CC1 ZINC001207485228 960459489 /nfs/dbraw/zinc/45/94/89/960459489.db2.gz VJQHJTQTLXHDIG-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP CC(C)c1ccc(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159780048 964193361 /nfs/dbraw/zinc/19/33/61/964193361.db2.gz OONYEQRZUFCFHM-GFCCVEGCSA-N 2 0 247.346 1.512 20 30 BDEDRP C#CC[NH+](CC#C)C1CCC([NH+](C)C)CC1 ZINC001168328441 964460576 /nfs/dbraw/zinc/46/05/76/964460576.db2.gz GRKLXKNUSBIOBA-UHFFFAOYSA-N 2 0 218.344 1.428 20 30 BDEDRP N#CCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC001162404995 964963022 /nfs/dbraw/zinc/96/30/22/964963022.db2.gz SHGNUIVCZYWXHO-CMPLNLGQSA-N 2 0 230.315 1.251 20 30 BDEDRP C=CC(N[C@@]12CCC[C@@H]1[NH2+]CC2)=[NH+]COC ZINC001162984019 965220160 /nfs/dbraw/zinc/22/01/60/965220160.db2.gz PUFYRFHOVPZOBE-CMPLNLGQSA-N 2 0 223.320 1.049 20 30 BDEDRP C[Si](C)(C)C#C[NH2+][C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163262918 965319335 /nfs/dbraw/zinc/31/93/35/965319335.db2.gz PQBNCTMDYAARQR-WOPDTQHZSA-N 2 0 222.408 1.412 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccccc2CC#N)C[C@H]1C[NH3+] ZINC001205151580 966061696 /nfs/dbraw/zinc/06/16/96/966061696.db2.gz WWZIBBFKNRHHLU-SWLSCSKDSA-N 2 0 243.354 1.779 20 30 BDEDRP C#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205110773 967359400 /nfs/dbraw/zinc/35/94/00/967359400.db2.gz ZWKLQXKOSPPCHT-OAHLLOKOSA-N 2 0 228.339 1.981 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984626 967935215 /nfs/dbraw/zinc/93/52/15/967935215.db2.gz SPSVSIIRVWETNP-QWHCGFSZSA-N 2 0 225.380 1.069 20 30 BDEDRP C=CC[NH2+]CCN1CCCC[C@](C)(C[NH3+])C1 ZINC001206541905 968366983 /nfs/dbraw/zinc/36/69/83/968366983.db2.gz NCULYKHBISNHST-CYBMUJFWSA-N 2 0 225.380 1.213 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001252573531 968823395 /nfs/dbraw/zinc/82/33/95/968823395.db2.gz FTOYLRBHPKIIAP-AWEZNQCLSA-N 2 0 240.391 1.633 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252581591 968835888 /nfs/dbraw/zinc/83/58/88/968835888.db2.gz IERBPBVCLYCROK-AGIUHOORSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252614608 968873254 /nfs/dbraw/zinc/87/32/54/968873254.db2.gz MTELHLZNKBGYLZ-CHWSQXEVSA-N 2 0 226.364 1.387 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC001208113288 969006537 /nfs/dbraw/zinc/00/65/37/969006537.db2.gz HARFCGFJAHSXBE-CYBMUJFWSA-N 2 0 235.375 1.954 20 30 BDEDRP C#C[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208609295 969146462 /nfs/dbraw/zinc/14/64/62/969146462.db2.gz IYXVJWDNVKMOPI-UONOGXRCSA-N 2 0 220.360 1.673 20 30 BDEDRP C=C(C)C[N@H+](CC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394188 969154709 /nfs/dbraw/zinc/15/47/09/969154709.db2.gz IBMBPPQAVIEUGS-GFCCVEGCSA-N 2 0 228.380 1.633 20 30 BDEDRP C#C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208608421 969163403 /nfs/dbraw/zinc/16/34/03/969163403.db2.gz IYXVJWDNVKMOPI-KGLIPLIRSA-N 2 0 220.360 1.673 20 30 BDEDRP C=C[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001253586450 969267535 /nfs/dbraw/zinc/26/75/35/969267535.db2.gz MLCDWUAWJOBWPA-CYBMUJFWSA-N 2 0 238.375 1.341 20 30 BDEDRP C[N@H+]([C@H]1CC[C@H](C#N)C1)C1CCC([NH3+])CC1 ZINC001254641639 969756547 /nfs/dbraw/zinc/75/65/47/969756547.db2.gz CMAQMVOUIXWGTQ-WTIISPKJSA-N 2 0 221.348 1.880 20 30 BDEDRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254656192 969764587 /nfs/dbraw/zinc/76/45/87/969764587.db2.gz IXIOYCVQNUJCDJ-SDDRHHMPSA-N 2 0 207.321 1.220 20 30 BDEDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254676751 969783108 /nfs/dbraw/zinc/78/31/08/969783108.db2.gz NQTBCRZUWPAPGK-APIJFGDWSA-N 2 0 247.386 1.952 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC[NH3+] ZINC001171180979 972816941 /nfs/dbraw/zinc/81/69/41/972816941.db2.gz FNJBYJNBDOCTOO-GFCCVEGCSA-N 2 0 231.343 1.818 20 30 BDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246567421 972816955 /nfs/dbraw/zinc/81/69/55/972816955.db2.gz KUVKVLQHVPBKAF-XJFOESAGSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001172308335 974516218 /nfs/dbraw/zinc/51/62/18/974516218.db2.gz JTQYTEPOHYZNKY-BYCMXARLSA-N 2 0 243.354 1.959 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172486843 974790890 /nfs/dbraw/zinc/79/08/90/974790890.db2.gz DSKDVZASMVYJEY-SRVKXCTJSA-N 2 0 209.337 1.928 20 30 BDEDRP C=CCOC1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001173313066 975226072 /nfs/dbraw/zinc/22/60/72/975226072.db2.gz RBKFWWLKXFQVCE-UHFFFAOYSA-N 2 0 242.363 1.065 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590271 975445340 /nfs/dbraw/zinc/44/53/40/975445340.db2.gz CMVVOJSAMYCFOC-UNXYVOJBSA-N 2 0 209.337 1.643 20 30 BDEDRP C=C(C)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001174790504 977033682 /nfs/dbraw/zinc/03/36/82/977033682.db2.gz WOZUGHQTYXRLDM-UHFFFAOYSA-N 2 0 232.331 1.779 20 30 BDEDRP N#Cc1cncc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC000721583033 977494709 /nfs/dbraw/zinc/49/47/09/977494709.db2.gz ZOJRLZUKOWMBAH-GFCCVEGCSA-N 2 0 244.342 1.514 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001340334847 979014559 /nfs/dbraw/zinc/01/45/59/979014559.db2.gz SZQACCCKEIBZMZ-MNOVXSKESA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001343105940 980007672 /nfs/dbraw/zinc/00/76/72/980007672.db2.gz VEVKIYKIMMVJJZ-GFCCVEGCSA-N 2 0 247.342 1.767 20 30 BDEDRP C=C[C@@H](CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000717521519 984327819 /nfs/dbraw/zinc/32/78/19/984327819.db2.gz MFQKMJXJJKLUCK-LBPRGKRZSA-N 2 0 247.342 1.187 20 30 BDEDRP COCC#CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001578949671 985539061 /nfs/dbraw/zinc/53/90/61/985539061.db2.gz LLQMEQHBLVPNRT-CQSZACIVSA-N 2 0 238.375 1.333 20 30 BDEDRP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001579505299 986048192 /nfs/dbraw/zinc/04/81/92/986048192.db2.gz ULOCPENROKJVTF-IGJPJIBNSA-N 2 0 221.348 1.799 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001253611693 986286398 /nfs/dbraw/zinc/28/63/98/986286398.db2.gz SNEQCVPGUQBBSY-RWMBFGLXSA-N 2 0 226.364 1.242 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001253611317 986289067 /nfs/dbraw/zinc/28/90/67/986289067.db2.gz NJOUKCGMWFTZNS-HZSPNIEDSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001253611691 986290673 /nfs/dbraw/zinc/29/06/73/986290673.db2.gz SNEQCVPGUQBBSY-FRRDWIJNSA-N 2 0 226.364 1.242 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001580040557 986453723 /nfs/dbraw/zinc/45/37/23/986453723.db2.gz LAXMAYWPJVYDTP-REWJHTLYSA-N 2 0 233.359 1.800 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001580039996 986453808 /nfs/dbraw/zinc/45/38/08/986453808.db2.gz BQXDDMWUWLORAY-KXNHARMFSA-N 2 0 207.321 1.396 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001462671734 986503430 /nfs/dbraw/zinc/50/34/30/986503430.db2.gz SFOOHNDEIIZNBV-AAVRWANBSA-N 2 0 235.375 1.856 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC001580065752 986509957 /nfs/dbraw/zinc/50/99/57/986509957.db2.gz RARXLGQZSQACLV-HAQNSBGRSA-N 2 0 201.273 1.138 20 30 BDEDRP N#Cc1ccnc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC001580080861 986521896 /nfs/dbraw/zinc/52/18/96/986521896.db2.gz JETNSDAPELCEJI-NSHDSACASA-N 2 0 230.315 1.124 20 30 BDEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCOCC[NH+](C)C ZINC000695843725 986955170 /nfs/dbraw/zinc/95/51/70/986955170.db2.gz QPQZKYSVQHSXRU-GFCCVEGCSA-N 2 0 241.379 1.483 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CN ZINC001246014815 987293652 /nfs/dbraw/zinc/29/36/52/987293652.db2.gz DIBTYUQJOVEFJB-SDDRHHMPSA-N 2 0 212.337 1.125 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018318 987301652 /nfs/dbraw/zinc/30/16/52/987301652.db2.gz AUSIFEIIDPXLSN-CHWSQXEVSA-N 2 0 226.364 1.374 20 30 BDEDRP C#CC(CC)(CC)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246070507 987356735 /nfs/dbraw/zinc/35/67/35/987356735.db2.gz BXYJVVRIQWGEQA-VXGBXAGGSA-N 2 0 208.349 1.909 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001246116108 987455669 /nfs/dbraw/zinc/45/56/69/987455669.db2.gz UYELFRHBXOROGX-FDYHWXHSSA-N 2 0 221.348 1.514 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246197990 987592852 /nfs/dbraw/zinc/59/28/52/987592852.db2.gz NCFSMWVAVBYVRV-NEPJUHHUSA-N 2 0 209.337 1.658 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC001246200902 987594007 /nfs/dbraw/zinc/59/40/07/987594007.db2.gz RRSIYYNOHNOHFN-GRYCIOLGSA-N 2 0 207.321 1.268 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204297 987599354 /nfs/dbraw/zinc/59/93/54/987599354.db2.gz DSKDVZASMVYJEY-QJPTWQEYSA-N 2 0 209.337 1.928 20 30 BDEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246266863 987663054 /nfs/dbraw/zinc/66/30/54/987663054.db2.gz SWAXVOQRSRMDQD-IUODEOHRSA-N 2 0 228.339 1.898 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246454039 987811000 /nfs/dbraw/zinc/81/10/00/987811000.db2.gz ZQSDEPRARKWDKL-MOENNCHZSA-N 2 0 219.332 1.410 20 30 BDEDRP C=CCC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246511513 987862483 /nfs/dbraw/zinc/86/24/83/987862483.db2.gz JBEVAKPHOYBFHT-RYUDHWBXSA-N 2 0 241.379 1.174 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246555443 987964629 /nfs/dbraw/zinc/96/46/29/987964629.db2.gz FEXHKZXBRXEYMK-JHJVBQTASA-N 2 0 223.364 1.985 20 30 BDEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246576484 988085212 /nfs/dbraw/zinc/08/52/12/988085212.db2.gz GMWGAQMFZOIAKK-MELADBBJSA-N 2 0 242.407 1.987 20 30 BDEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246579697 988101985 /nfs/dbraw/zinc/10/19/85/988101985.db2.gz GMWGAQMFZOIAKK-IHRRRGAJSA-N 2 0 242.407 1.987 20 30 BDEDRP C[C@@H](CCCC#N)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246618211 988245286 /nfs/dbraw/zinc/24/52/86/988245286.db2.gz HPGZGZFXCWRQPO-NSHDSACASA-N 2 0 227.327 1.832 20 30 BDEDRP N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932070 988763301 /nfs/dbraw/zinc/76/33/01/988763301.db2.gz PEGYSYFXMIJCIZ-IGQOVBAYSA-N 2 0 233.359 1.610 20 30 BDEDRP C#CC[N@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC001120017462 989565600 /nfs/dbraw/zinc/56/56/00/989565600.db2.gz AOZXHURDKLIUMC-UHFFFAOYSA-N 2 0 220.360 1.673 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001122154841 990268042 /nfs/dbraw/zinc/26/80/42/990268042.db2.gz REVSSWPJWXMWFX-VXGBXAGGSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258731114 991672054 /nfs/dbraw/zinc/67/20/54/991672054.db2.gz ALNHZBLLZLTLAU-RWMBFGLXSA-N 2 0 208.349 1.835 20 30 BDEDRP C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC001574760483 992900193 /nfs/dbraw/zinc/90/01/93/992900193.db2.gz ZSIMRCFNACCAOL-FDYHWXHSSA-N 2 0 220.360 1.894 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC001574959455 992948119 /nfs/dbraw/zinc/94/81/19/992948119.db2.gz GCXFSLQSPNHTHE-OLZOCXBDSA-N 2 0 224.348 1.309 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000424291564 398180540 /nfs/dbraw/zinc/18/05/40/398180540.db2.gz DQJJXTSGISDYNR-RFGFWPKPSA-N 2 0 238.375 1.650 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423019713 398161240 /nfs/dbraw/zinc/16/12/40/398161240.db2.gz WVTLAPWSNMQORG-RWMBFGLXSA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000602546496 349589557 /nfs/dbraw/zinc/58/95/57/349589557.db2.gz DJCZJVJYAYGOQT-STQMWFEESA-N 2 0 223.364 1.858 20 30 BDEDRP C=C(C)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350260536 136357548 /nfs/dbraw/zinc/35/75/48/136357548.db2.gz WSWXIMWACJPGLA-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000309338911 347037417 /nfs/dbraw/zinc/03/74/17/347037417.db2.gz KQELTDMHSSPDTJ-CYBMUJFWSA-N 2 0 221.348 1.708 20 30 BDEDRP C[NH2+]CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000600769436 344370656 /nfs/dbraw/zinc/37/06/56/344370656.db2.gz VICRDRBRSIVHLJ-UHFFFAOYSA-N 2 0 233.315 1.583 20 30 BDEDRP CC(C)(C#N)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283391 344516654 /nfs/dbraw/zinc/51/66/54/344516654.db2.gz ZFKSKUMUGZCZIL-VXGBXAGGSA-N 2 0 221.348 1.468 20 30 BDEDRP N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000574637904 344944311 /nfs/dbraw/zinc/94/43/11/344944311.db2.gz KZZQOQHBWUTYIW-HUUCEWRRSA-N 2 0 243.354 1.970 20 30 BDEDRP N#Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044511999 345102991 /nfs/dbraw/zinc/10/29/91/345102991.db2.gz CWJGPABVBNEXHW-UHFFFAOYSA-N 2 0 229.327 1.729 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1C ZINC000158266159 345313847 /nfs/dbraw/zinc/31/38/47/345313847.db2.gz LYOXLRNHODTPDR-NEPJUHHUSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401056533 346085700 /nfs/dbraw/zinc/08/57/00/346085700.db2.gz HZBUYFQNDUWNOI-RWMBFGLXSA-N 2 0 240.416 1.883 20 30 BDEDRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C#N)c1 ZINC000591570997 347675898 /nfs/dbraw/zinc/67/58/98/347675898.db2.gz RMTOCLIVHQLILN-MNOVXSKESA-N 2 0 229.327 1.817 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000594556806 348070320 /nfs/dbraw/zinc/07/03/20/348070320.db2.gz SOVXRTASFPDART-RWMBFGLXSA-N 2 0 234.347 1.360 20 30 BDEDRP CC(C)([NH2+]CCC[NH3+])c1cccc(C#N)c1 ZINC000594735657 348109882 /nfs/dbraw/zinc/10/98/82/348109882.db2.gz MFMOHGDCVBGCQQ-UHFFFAOYSA-N 2 0 217.316 1.732 20 30 BDEDRP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595887020 348389217 /nfs/dbraw/zinc/38/92/17/348389217.db2.gz BIOBDQVIBWTVNM-SWLSCSKDSA-N 2 0 243.354 1.770 20 30 BDEDRP N#Cc1ccc(CCN2CC[C@@H]([NH3+])C2)cc1 ZINC000595892300 348391022 /nfs/dbraw/zinc/39/10/22/348391022.db2.gz LODJRDRAPNCIHY-CYBMUJFWSA-N 2 0 215.300 1.134 20 30 BDEDRP C[C@]1(C[NH3+])CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595895589 348391836 /nfs/dbraw/zinc/39/18/36/348391836.db2.gz PSBZISMEVHIOKF-OAHLLOKOSA-N 2 0 243.354 1.771 20 30 BDEDRP Cn1ccnc1C[C@@H]1CCCN(CCC#N)C1 ZINC000336715980 350471194 /nfs/dbraw/zinc/47/11/94/350471194.db2.gz VJORNEMGLIDSBK-LBPRGKRZSA-N 2 0 232.331 1.588 20 30 BDEDRP N#CC[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000397762497 350963982 /nfs/dbraw/zinc/96/39/82/350963982.db2.gz LJVKEXONLYLXPG-GFCCVEGCSA-N 2 0 218.304 1.509 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423154992 192594454 /nfs/dbraw/zinc/59/44/54/192594454.db2.gz PXBPQSZCODFAET-UPJWGTAASA-N 2 0 226.364 1.827 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423183154 192613462 /nfs/dbraw/zinc/61/34/62/192613462.db2.gz RJOQQLXIHMKJPK-CQSZACIVSA-N 2 0 239.407 1.616 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207709 192627608 /nfs/dbraw/zinc/62/76/08/192627608.db2.gz SBXOQTUGHIOQOV-STQMWFEESA-N 2 0 225.380 1.082 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149861 357026029 /nfs/dbraw/zinc/02/60/29/357026029.db2.gz XHBDXWGQYNXCEW-KGLIPLIRSA-N 2 0 229.327 1.775 20 30 BDEDRP CC#CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000156082636 538766892 /nfs/dbraw/zinc/76/68/92/538766892.db2.gz PCRTZERAZNDBQZ-UHFFFAOYSA-N 2 0 229.327 1.617 20 30 BDEDRP C=CC[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628406188 357201464 /nfs/dbraw/zinc/20/14/64/357201464.db2.gz DLVQGIPSFDXNPN-GFCCVEGCSA-N 2 0 248.374 1.884 20 30 BDEDRP C=CCNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000360453977 134200703 /nfs/dbraw/zinc/20/07/03/134200703.db2.gz FTYWQXARUJFJQY-YOGCLGLASA-N 2 0 236.363 1.159 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000305069533 134239719 /nfs/dbraw/zinc/23/97/19/134239719.db2.gz IXNVXLYSXTUDCI-KGLIPLIRSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308825523 491138256 /nfs/dbraw/zinc/13/82/56/491138256.db2.gz DNQOJSHYZZBZEL-UPJWGTAASA-N 2 0 208.349 1.882 20 30 BDEDRP C#CC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003374 360052931 /nfs/dbraw/zinc/05/29/31/360052931.db2.gz PJNYEKVFRXOLLT-GFCCVEGCSA-N 2 0 217.316 1.308 20 30 BDEDRP C=CC[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000629650021 361546013 /nfs/dbraw/zinc/54/60/13/361546013.db2.gz OKHNSIHAKJQJBZ-CHWSQXEVSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000574288869 365030690 /nfs/dbraw/zinc/03/06/90/365030690.db2.gz WRLNFLFCLIPGIH-ZDUSSCGKSA-N 2 0 226.364 1.197 20 30 BDEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000459744815 203352653 /nfs/dbraw/zinc/35/26/53/203352653.db2.gz XXNJZYKEONADAH-GFCCVEGCSA-N 2 0 247.342 1.973 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000600769817 369563888 /nfs/dbraw/zinc/56/38/88/369563888.db2.gz RTFVYTCKRNXXSM-NSHDSACASA-N 2 0 233.315 1.712 20 30 BDEDRP N#Cc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)o1 ZINC000600769599 369563902 /nfs/dbraw/zinc/56/39/02/369563902.db2.gz PGRRYXZCHLTKTM-NSHDSACASA-N 2 0 245.326 1.916 20 30 BDEDRP C=CC[C@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623838416 371120883 /nfs/dbraw/zinc/12/08/83/371120883.db2.gz UKPKCRFRSHBJSK-IHRRRGAJSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334533 371485676 /nfs/dbraw/zinc/48/56/76/371485676.db2.gz BSZWBHZDSPBTPB-UPJWGTAASA-N 2 0 226.364 1.243 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424382117 206039026 /nfs/dbraw/zinc/03/90/26/206039026.db2.gz ZVHZOGJHXWNDKC-FDYHWXHSSA-N 2 0 221.348 1.928 20 30 BDEDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865344 384181887 /nfs/dbraw/zinc/18/18/87/384181887.db2.gz TWFUKUXTMNPMJH-BXUZGUMPSA-N 2 0 229.327 1.727 20 30 BDEDRP N#CCC[C@H](C#N)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569568926 384257881 /nfs/dbraw/zinc/25/78/81/384257881.db2.gz SLSDOFFSRIOMHL-RDBSUJKOSA-N 2 0 246.358 1.646 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000422962297 384489290 /nfs/dbraw/zinc/48/92/90/384489290.db2.gz FFWBCHGZFYECLT-GHMZBOCLSA-N 2 0 217.316 1.774 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC#N ZINC000309110990 385426093 /nfs/dbraw/zinc/42/60/93/385426093.db2.gz JQZWAKQOSDVAKN-IJLUTSLNSA-N 2 0 209.337 1.608 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000309353385 385549495 /nfs/dbraw/zinc/54/94/95/385549495.db2.gz NNRXFYOQYBEZOZ-QWRGUYRKSA-N 2 0 217.316 1.804 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000186699673 385782684 /nfs/dbraw/zinc/78/26/84/385782684.db2.gz ZVYAXCUEQHMUEU-CYBMUJFWSA-N 2 0 226.364 1.387 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1C ZINC000414175999 386019904 /nfs/dbraw/zinc/01/99/04/386019904.db2.gz ZYDBSMFRAJMQTL-VXGBXAGGSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CCOc1ccccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414889416 386111932 /nfs/dbraw/zinc/11/19/32/386111932.db2.gz SSCBSAMRCMZVIN-GFCCVEGCSA-N 2 0 234.343 1.936 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520428696 386671309 /nfs/dbraw/zinc/67/13/09/386671309.db2.gz ZUPNRLXVRMCWPK-MNOVXSKESA-N 2 0 207.321 1.540 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000327980310 387601973 /nfs/dbraw/zinc/60/19/73/387601973.db2.gz IODDRLGUTOEXNC-KGLIPLIRSA-N 2 0 237.391 1.014 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423013446 387836656 /nfs/dbraw/zinc/83/66/56/387836656.db2.gz MTIZMSOLCDPULX-OLZOCXBDSA-N 2 0 226.364 1.829 20 30 BDEDRP C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000582660205 387868282 /nfs/dbraw/zinc/86/82/82/387868282.db2.gz ARAGCYZFWZEXSZ-MELADBBJSA-N 2 0 248.374 1.892 20 30 BDEDRP CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CCC[NH2+]1 ZINC000422967195 387816070 /nfs/dbraw/zinc/81/60/70/387816070.db2.gz BPIKPQJLYCMBEF-NEPJUHHUSA-N 2 0 209.337 1.800 20 30 BDEDRP C[C@H]([NH2+]CCCCC#N)[C@@H]1CCCC[NH2+]1 ZINC000422967472 387816521 /nfs/dbraw/zinc/81/65/21/387816521.db2.gz BYTCGBZDTQNYIP-RYUDHWBXSA-N 2 0 209.337 1.800 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423092326 387882438 /nfs/dbraw/zinc/88/24/38/387882438.db2.gz BJFZLHZFUHJIQP-NWDGAFQWSA-N 2 0 221.348 1.930 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000423157761 387937297 /nfs/dbraw/zinc/93/72/97/387937297.db2.gz VQLDTWXAOULTIV-UPJWGTAASA-N 2 0 242.363 1.064 20 30 BDEDRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423278251 388060819 /nfs/dbraw/zinc/06/08/19/388060819.db2.gz QLDUTHWXAIDACP-QJPTWQEYSA-N 2 0 209.337 1.642 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000516937310 388526464 /nfs/dbraw/zinc/52/64/64/388526464.db2.gz CAVHRFXCMJIKSH-RQJABVFESA-N 2 0 238.375 1.827 20 30 BDEDRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423202212 388687870 /nfs/dbraw/zinc/68/78/70/388687870.db2.gz QHUBZVJTIGTEHE-LLVKDONJSA-N 2 0 217.316 1.818 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423097130 388688033 /nfs/dbraw/zinc/68/80/33/388688033.db2.gz ISDBCSORTFFZOQ-LSDHHAIUSA-N 2 0 243.354 1.818 20 30 BDEDRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423225225 388689561 /nfs/dbraw/zinc/68/95/61/388689561.db2.gz LUPMTJBZIPPFTH-IINYFYTJSA-N 2 0 229.327 1.872 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423313680 388691240 /nfs/dbraw/zinc/69/12/40/388691240.db2.gz XFASFGQWHBGKEE-UWVGGRQHSA-N 2 0 235.306 1.943 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423315274 388691893 /nfs/dbraw/zinc/69/18/93/388691893.db2.gz ZKGDBQQGJZMILU-YGRLFVJLSA-N 2 0 229.327 1.730 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCN(CC)CCO ZINC000248919878 388699959 /nfs/dbraw/zinc/69/99/59/388699959.db2.gz DXRSGOYNEZZVKC-OLZOCXBDSA-N 2 0 228.380 1.491 20 30 BDEDRP C=CCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564989509 388905700 /nfs/dbraw/zinc/90/57/00/388905700.db2.gz OYBJEOIBJPJDFL-LBPRGKRZSA-N 2 0 224.348 1.250 20 30 BDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC(C)(C)C ZINC000104168135 134159163 /nfs/dbraw/zinc/15/91/63/134159163.db2.gz BZYWYHZRMQCIDJ-LLVKDONJSA-N 2 0 240.395 1.564 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000305082825 134239500 /nfs/dbraw/zinc/23/95/00/134239500.db2.gz MXJGEXBPJLYTAP-KBPBESRZSA-N 2 0 240.391 1.587 20 30 BDEDRP C[NH+](C)CCCCNC(=[NH2+])Nc1ccccn1 ZINC000264093850 135132491 /nfs/dbraw/zinc/13/24/91/135132491.db2.gz LZLRHCOXMNHNML-UHFFFAOYSA-N 2 0 235.335 1.150 20 30 BDEDRP C=CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000261552513 135191226 /nfs/dbraw/zinc/19/12/26/135191226.db2.gz ROGNZSALZMEBEC-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP CC(C)(CNC(=[NH2+])N1CCC1)C[NH+]1CCCC1 ZINC000263115970 135333877 /nfs/dbraw/zinc/33/38/77/135333877.db2.gz LLYHZTYQKXZYJN-UHFFFAOYSA-N 2 0 238.379 1.129 20 30 BDEDRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000335551272 136098180 /nfs/dbraw/zinc/09/81/80/136098180.db2.gz DHFRKEMUNMDEIP-NSHDSACASA-N 2 0 229.327 1.961 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422940550 411234676 /nfs/dbraw/zinc/23/46/76/411234676.db2.gz GZFBFYQLCZGASL-VHSXEESVSA-N 2 0 200.351 1.375 20 30 BDEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000203306803 170006944 /nfs/dbraw/zinc/00/69/44/170006944.db2.gz XSBMWSGIHFLEIP-LBPRGKRZSA-N 2 0 246.358 1.755 20 30 BDEDRP C=CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](C)COC ZINC000662298465 412084305 /nfs/dbraw/zinc/08/43/05/412084305.db2.gz CVXHLVZTPYCGOC-CYBMUJFWSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](C)COC ZINC000662299654 412086288 /nfs/dbraw/zinc/08/62/88/412086288.db2.gz TYTRZGPBBLHYFL-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000163476022 176176225 /nfs/dbraw/zinc/17/62/25/176176225.db2.gz YNVBCCXMCHUDAC-DOMZBBRYSA-N 2 0 243.354 1.975 20 30 BDEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249327 326334790 /nfs/dbraw/zinc/33/47/90/326334790.db2.gz NNYMWAKFWJKPSV-TZMCWYRMSA-N 2 0 237.391 1.496 20 30 BDEDRP C=CCOCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000338922736 534878567 /nfs/dbraw/zinc/87/85/67/534878567.db2.gz BBNBIMJNRVSEIP-UHFFFAOYSA-N 2 0 240.391 1.853 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000424377148 527499346 /nfs/dbraw/zinc/49/93/46/527499346.db2.gz MEJLKFLHFZAGMH-RVMXOQNASA-N 2 0 224.348 1.308 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000896035026 583764382 /nfs/dbraw/zinc/76/43/82/583764382.db2.gz MSLAPPSHIRVBCN-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000203485018 583857756 /nfs/dbraw/zinc/85/77/56/583857756.db2.gz SJKLXDKELHPPHL-JQWIXIFHSA-N 2 0 226.368 1.031 20 30 BDEDRP CCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000901281824 584415238 /nfs/dbraw/zinc/41/52/38/584415238.db2.gz ZTROEUXCZQDWNZ-UHFFFAOYSA-N 2 0 246.358 1.382 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902397964 584586246 /nfs/dbraw/zinc/58/62/46/584586246.db2.gz IRBITZHARJBSKE-CYBMUJFWSA-N 2 0 240.391 1.947 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902401983 584587413 /nfs/dbraw/zinc/58/74/13/584587413.db2.gz GWTDOOFPQZWGHO-STQMWFEESA-N 2 0 240.391 1.681 20 30 BDEDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902780364 584669737 /nfs/dbraw/zinc/66/97/37/584669737.db2.gz GJWCWRKUCLSJTN-GFCCVEGCSA-N 2 0 246.358 1.946 20 30 BDEDRP C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903425010 584765388 /nfs/dbraw/zinc/76/53/88/584765388.db2.gz ORAMIFPIRUQXED-ABXWRUBCSA-N 2 0 235.375 1.985 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000903563432 584782573 /nfs/dbraw/zinc/78/25/73/584782573.db2.gz CLVUJRJKTSOTJT-QWHCGFSZSA-N 2 0 221.348 1.612 20 30 BDEDRP N#C[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000903564470 584782596 /nfs/dbraw/zinc/78/25/96/584782596.db2.gz WLJDKDQYDZHWOK-GFCCVEGCSA-N 2 0 209.337 1.741 20 30 BDEDRP C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000801933975 586278850 /nfs/dbraw/zinc/27/88/50/586278850.db2.gz XCZQRGWCZNEUKW-NWDGAFQWSA-N 2 0 248.330 1.518 20 30 BDEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC1CC1 ZINC000848996244 588429005 /nfs/dbraw/zinc/42/90/05/588429005.db2.gz MWVXLLJEFVFVNF-LLVKDONJSA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849021817 588439346 /nfs/dbraw/zinc/43/93/46/588439346.db2.gz KIUMUZCOQORDCY-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCC ZINC000849027750 588441346 /nfs/dbraw/zinc/44/13/46/588441346.db2.gz KGZOHPTYBDGDPF-NSHDSACASA-N 2 0 224.352 1.161 20 30 BDEDRP C=C(C)CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849035937 588445158 /nfs/dbraw/zinc/44/51/58/588445158.db2.gz IWBMFDRRWDEXOO-GFCCVEGCSA-N 2 0 238.379 1.551 20 30 BDEDRP C#C[C@](C)(CC)[NH2+]CC#CC[NH2+][C@](C)(C#C)CC ZINC000852103229 588663353 /nfs/dbraw/zinc/66/33/53/588663353.db2.gz AVBOLBWKGRAVMG-HZPDHXFCSA-N 2 0 244.382 1.773 20 30 BDEDRP CNC(NC[C@H]1CC[N@@H+]1C1CCCCC1)=[NH+]C ZINC000864357421 589355067 /nfs/dbraw/zinc/35/50/67/589355067.db2.gz WQHDLBZGPBXTOP-GFCCVEGCSA-N 2 0 238.379 1.188 20 30 BDEDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000866585724 589502174 /nfs/dbraw/zinc/50/21/74/589502174.db2.gz SVOJRYFLNBOPDO-SYQHCUMBSA-N 2 0 233.359 1.705 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000883390294 591641643 /nfs/dbraw/zinc/64/16/43/591641643.db2.gz JBZPZHWTIVTIHO-FRRDWIJNSA-N 2 0 238.375 1.528 20 30 BDEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@H+](C)C1CC1 ZINC000103338704 592578934 /nfs/dbraw/zinc/57/89/34/592578934.db2.gz XAMLNBZUHPTPRV-LLVKDONJSA-N 2 0 246.358 1.896 20 30 BDEDRP CCC[NH+]1CCC(CNC(=[NH2+])NC(C)C)CC1 ZINC000104177521 592603413 /nfs/dbraw/zinc/60/34/13/592603413.db2.gz OWVDYWYBDBDVJJ-UHFFFAOYSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C ZINC000170911005 633176113 /nfs/dbraw/zinc/17/61/13/633176113.db2.gz JORSFLCRDMKEOK-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP C#CC[N@H+](C)CCCNCc1ccc(C)o1 ZINC000328207813 633743307 /nfs/dbraw/zinc/74/33/07/633743307.db2.gz VLQRBBFNVCSYHP-UHFFFAOYSA-N 2 0 220.316 1.633 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925683611 634288363 /nfs/dbraw/zinc/28/83/63/634288363.db2.gz TXLHCCBADCBVBM-NOOOWODRSA-N 2 0 222.332 1.189 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892966 635618357 /nfs/dbraw/zinc/61/83/57/635618357.db2.gz IOBACZFGXWZINX-WDEREUQCSA-N 2 0 247.346 1.081 20 30 BDEDRP C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621816 636827845 /nfs/dbraw/zinc/82/78/45/636827845.db2.gz VKLCWKAUDQRUMJ-MELADBBJSA-N 2 0 235.375 1.810 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000911648103 639705675 /nfs/dbraw/zinc/70/56/75/639705675.db2.gz IAKGGUIPKBEPGJ-CYBMUJFWSA-N 2 0 247.342 1.767 20 30 BDEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N(C)C1CC1 ZINC000305816621 642701130 /nfs/dbraw/zinc/70/11/30/642701130.db2.gz MNVVSHVPRLOWCX-NSHDSACASA-N 2 0 238.379 1.270 20 30 BDEDRP CC[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000305824576 642704536 /nfs/dbraw/zinc/70/45/36/642704536.db2.gz QNWSMJCOCPRVJO-LLVKDONJSA-N 2 0 238.379 1.270 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000923422378 644419657 /nfs/dbraw/zinc/41/96/57/644419657.db2.gz QOSFJOQWJAXCMW-DCAQKATOSA-N 2 0 212.337 1.029 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923445101 644430268 /nfs/dbraw/zinc/43/02/68/644430268.db2.gz XITNFOWYWHMHCQ-OLZOCXBDSA-N 2 0 238.375 1.781 20 30 BDEDRP C=CCCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453438 644442482 /nfs/dbraw/zinc/44/24/82/644442482.db2.gz MIKCBAAQHFOWHU-CYBMUJFWSA-N 2 0 238.375 1.782 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923481270 644459295 /nfs/dbraw/zinc/45/92/95/644459295.db2.gz OKNDTZVJFDUGRX-OAHLLOKOSA-N 2 0 243.354 1.771 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923481266 644459618 /nfs/dbraw/zinc/45/96/18/644459618.db2.gz OKNDTZVJFDUGRX-HNNXBMFYSA-N 2 0 243.354 1.771 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923497989 644473252 /nfs/dbraw/zinc/47/32/52/644473252.db2.gz HEQNQZLPFSAJKB-WFASDCNBSA-N 2 0 243.354 1.975 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303365413 644818867 /nfs/dbraw/zinc/81/88/67/644818867.db2.gz GPGUHESUVATMJK-RYUDHWBXSA-N 2 0 242.411 1.666 20 30 BDEDRP C[NH+](C)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303710512 644840797 /nfs/dbraw/zinc/84/07/97/644840797.db2.gz ONSHYZVIRGRDET-UHFFFAOYSA-N 2 0 248.374 1.085 20 30 BDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000303886420 644854858 /nfs/dbraw/zinc/85/48/58/644854858.db2.gz NSQSUHYTHLQXCJ-LBPRGKRZSA-N 2 0 238.379 1.127 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303895366 644855915 /nfs/dbraw/zinc/85/59/15/644855915.db2.gz PJROQXURQIOYTK-LBPRGKRZSA-N 2 0 240.395 1.375 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCC)C1 ZINC000303895156 644856638 /nfs/dbraw/zinc/85/66/38/644856638.db2.gz SZZZXCNIVWLYQP-NSHDSACASA-N 2 0 226.368 1.033 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303977033 644862270 /nfs/dbraw/zinc/86/22/70/644862270.db2.gz KSICVDVQBQYVPO-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925550356 646327524 /nfs/dbraw/zinc/32/75/24/646327524.db2.gz RGMCHZINELQKLY-ZIAGYGMSSA-N 2 0 249.402 1.496 20 30 BDEDRP C=CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925702674 646427340 /nfs/dbraw/zinc/42/73/40/646427340.db2.gz AGLBTWOEJIYLLV-SRVKXCTJSA-N 2 0 208.349 1.929 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925770729 646471140 /nfs/dbraw/zinc/47/11/40/646471140.db2.gz KZQSUFPKDKKBIX-RYUDHWBXSA-N 2 0 212.337 1.045 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000925783276 646478739 /nfs/dbraw/zinc/47/87/39/646478739.db2.gz DUQZKXNIVJHEEY-VOAKCMCISA-N 2 0 221.348 1.514 20 30 BDEDRP C#CCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000178060122 711674413 /nfs/dbraw/zinc/67/44/13/711674413.db2.gz NOFGQJHSHURCCL-NWDGAFQWSA-N 2 0 206.333 1.615 20 30 BDEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000710749552 712255619 /nfs/dbraw/zinc/25/56/19/712255619.db2.gz IBLOEDLINPXPQI-LBPRGKRZSA-N 2 0 241.379 1.128 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000716853488 712578574 /nfs/dbraw/zinc/57/85/74/712578574.db2.gz AGSFFHGJIXVZNT-BFHYXJOUSA-N 2 0 236.359 1.241 20 30 BDEDRP C[C@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1Cc1ccccc1 ZINC000381908334 710758745 /nfs/dbraw/zinc/75/87/45/710758745.db2.gz JKWKPNSOMXPYBR-JTQLQIEISA-N 2 0 245.330 1.120 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382198334 711541428 /nfs/dbraw/zinc/54/14/28/711541428.db2.gz IWDFSDBLONTSAD-ASHHDVGLSA-N 2 0 206.333 1.537 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000714994645 712502759 /nfs/dbraw/zinc/50/27/59/712502759.db2.gz AQLPSQNMOJQGSM-GFCCVEGCSA-N 2 0 226.364 1.781 20 30 BDEDRP C#C[C@@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686645 970921323 /nfs/dbraw/zinc/92/13/23/970921323.db2.gz SABDPOMMHBVJJZ-IYXRBSQSSA-N 2 0 236.359 1.241 20 30 BDEDRP N#CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853865 970995492 /nfs/dbraw/zinc/99/54/92/970995492.db2.gz XHDSOMFOIDUUNR-UHFFFAOYSA-N 2 0 244.342 1.944 20 30 BDEDRP C=CCOCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405434599 971255775 /nfs/dbraw/zinc/25/57/75/971255775.db2.gz BTRBYRJQTYDHFV-MNOVXSKESA-N 2 0 210.321 1.049 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405447306 971260041 /nfs/dbraw/zinc/26/00/41/971260041.db2.gz FTVOSJNJWOVANO-UTUOFQBUSA-N 2 0 224.348 1.173 20 30 BDEDRP C[NH+](C)CCCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224991121 974123085 /nfs/dbraw/zinc/12/30/85/974123085.db2.gz MNISLBWWJNVOQT-CYBMUJFWSA-N 2 0 242.387 1.333 20 30 BDEDRP C=C(C)CC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133043181 971440993 /nfs/dbraw/zinc/44/09/93/971440993.db2.gz SMCAEKHMGMWGKR-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CCCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051431 971445954 /nfs/dbraw/zinc/44/59/54/971445954.db2.gz GDMLWEUDUXWPSR-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@H]1CC[NH2+]1 ZINC001217934703 971536463 /nfs/dbraw/zinc/53/64/63/971536463.db2.gz ZLOLVOWDXZWFPX-IJLUTSLNSA-N 2 0 210.321 1.062 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCC[C@@H]1CC[NH2+]C1 ZINC001217933617 971537067 /nfs/dbraw/zinc/53/70/67/971537067.db2.gz NDLUYVWFPTZZLM-BFHYXJOUSA-N 2 0 238.375 1.699 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218205829 971628185 /nfs/dbraw/zinc/62/81/85/971628185.db2.gz XTCUJDIOSZGRDD-OAHLLOKOSA-N 2 0 244.338 1.629 20 30 BDEDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)CC/C2=N/O ZINC001170903206 972071665 /nfs/dbraw/zinc/07/16/65/972071665.db2.gz HWOLXEXNXOYUGV-KAECEXQPSA-N 2 0 248.330 1.247 20 30 BDEDRP C=C[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246026647 972118386 /nfs/dbraw/zinc/11/83/86/972118386.db2.gz WPGCNMQCZGZYBP-UPJWGTAASA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001246105762 972168818 /nfs/dbraw/zinc/16/88/18/972168818.db2.gz WXPPQQBRONYGOH-LOWDOPEQSA-N 2 0 221.348 1.514 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC12C[NH2+]C2 ZINC001246443959 972315978 /nfs/dbraw/zinc/31/59/78/972315978.db2.gz IVONBXKJNALUNY-RISCZKNCSA-N 2 0 241.338 1.441 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259183 972429276 /nfs/dbraw/zinc/42/92/76/972429276.db2.gz LUSLGSJMIUADBX-CQSZACIVSA-N 2 0 237.391 1.228 20 30 BDEDRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001168327674 964459528 /nfs/dbraw/zinc/45/95/28/964459528.db2.gz QXWJANIVOIHGKH-PNESKVBLSA-N 2 0 221.348 1.705 20 30 BDEDRP C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000161140931 964878138 /nfs/dbraw/zinc/87/81/38/964878138.db2.gz RXHSJYASYJRFIY-KGLIPLIRSA-N 2 0 220.360 1.816 20 30 BDEDRP C=CC(NC[C@@H]1CCC[NH2+]C[C@@H]1C)=[NH+]COC ZINC001162459021 964987583 /nfs/dbraw/zinc/98/75/83/964987583.db2.gz BGAQKYFOTRABQQ-RYUDHWBXSA-N 2 0 239.363 1.400 20 30 BDEDRP N#Cc1ccccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205093695 965719145 /nfs/dbraw/zinc/71/91/45/965719145.db2.gz FAHKFIAEDUOKHP-AWEZNQCLSA-N 2 0 229.327 1.871 20 30 BDEDRP C#Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205146134 967389579 /nfs/dbraw/zinc/38/95/79/967389579.db2.gz QCYWTOBFXRXIHZ-SWLSCSKDSA-N 2 0 228.339 1.695 20 30 BDEDRP C[C@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012310 967968209 /nfs/dbraw/zinc/96/82/09/967968209.db2.gz KFFFYYKJUROQHL-NWDGAFQWSA-N 2 0 246.358 1.693 20 30 BDEDRP C#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206183077 968114350 /nfs/dbraw/zinc/11/43/50/968114350.db2.gz FIEBSHJYRKDVTH-HUUCEWRRSA-N 2 0 246.329 1.929 20 30 BDEDRP C#Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183078 968115777 /nfs/dbraw/zinc/11/57/77/968115777.db2.gz FIEBSHJYRKDVTH-LSDHHAIUSA-N 2 0 246.329 1.929 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001252579298 968832577 /nfs/dbraw/zinc/83/25/77/968832577.db2.gz LGTXGBOWUNCHQO-AWEZNQCLSA-N 2 0 245.326 1.632 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC001252587773 968842986 /nfs/dbraw/zinc/84/29/86/968842986.db2.gz WZOBBRBAMAJPHU-ZDUSSCGKSA-N 2 0 226.364 1.389 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001252618111 968878173 /nfs/dbraw/zinc/87/81/73/968878173.db2.gz PBCUMQNZBFRKKD-CQSZACIVSA-N 2 0 240.391 1.779 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001253601339 969296823 /nfs/dbraw/zinc/29/68/23/969296823.db2.gz PGAMTRNANHTDKB-CHWSQXEVSA-N 2 0 228.380 1.633 20 30 BDEDRP C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080982 969403092 /nfs/dbraw/zinc/40/30/92/969403092.db2.gz OKTJXMMXYSKZBW-CLLJXQQHSA-N 2 0 206.333 1.615 20 30 BDEDRP C[Si](C)(C)C#C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC001169564139 969760140 /nfs/dbraw/zinc/76/01/40/969760140.db2.gz GXTWDJIZEBFSPU-LLVKDONJSA-N 2 0 210.397 1.556 20 30 BDEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254673730 969780109 /nfs/dbraw/zinc/78/01/09/969780109.db2.gz NWBARHVXAJJCSI-REWJHTLYSA-N 2 0 233.359 1.562 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246544676 972607647 /nfs/dbraw/zinc/60/76/47/972607647.db2.gz YARMCGRXFXSUSR-SDDRHHMPSA-N 2 0 209.337 1.595 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300575 974515049 /nfs/dbraw/zinc/51/50/49/974515049.db2.gz XDVAYZJDAOFZQZ-VXGBXAGGSA-N 2 0 231.343 1.674 20 30 BDEDRP C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC001332009525 974917826 /nfs/dbraw/zinc/91/78/26/974917826.db2.gz HIMKEIPRUVVVNU-IJLUTSLNSA-N 2 0 209.337 1.608 20 30 BDEDRP C=CCOC1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173313235 975224015 /nfs/dbraw/zinc/22/40/15/975224015.db2.gz SBGUKPBSXVUPDF-IYXRBSQSSA-N 2 0 238.375 1.923 20 30 BDEDRP C=CCOC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001173319385 975306590 /nfs/dbraw/zinc/30/65/90/975306590.db2.gz ILCIKPPDAGAPLX-CLRIEMFWSA-N 2 0 238.375 1.970 20 30 BDEDRP CCCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051893 978963397 /nfs/dbraw/zinc/96/33/97/978963397.db2.gz BQXMNLFYZPWOCO-AWEZNQCLSA-N 2 0 239.407 1.594 20 30 BDEDRP C[N@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277943341 979041108 /nfs/dbraw/zinc/04/11/08/979041108.db2.gz TWUIJSLBLLPCLP-BETUJISGSA-N 2 0 221.348 1.564 20 30 BDEDRP C=CCCCCCCN(CC[NH3+])CC[NH3+] ZINC001235877581 979178392 /nfs/dbraw/zinc/17/83/92/979178392.db2.gz RHPLAMVINIDGQH-UHFFFAOYSA-N 2 0 213.369 1.342 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH3+] ZINC001343105941 980008548 /nfs/dbraw/zinc/00/85/48/980008548.db2.gz VEVKIYKIMMVJJZ-LBPRGKRZSA-N 2 0 247.342 1.767 20 30 BDEDRP C=CCCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735736 982376180 /nfs/dbraw/zinc/37/61/80/982376180.db2.gz QCMOQKOQAQUIQH-SNVBAGLBSA-N 2 0 218.291 1.869 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001252602306 983842427 /nfs/dbraw/zinc/84/24/27/983842427.db2.gz OVTHXHSUBPCBMM-HZSPNIEDSA-N 2 0 238.375 1.197 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252615309 983851165 /nfs/dbraw/zinc/85/11/65/983851165.db2.gz YMJMQXQSOJYJET-XJFOESAGSA-N 2 0 238.375 1.528 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC001580055896 984381582 /nfs/dbraw/zinc/38/15/82/984381582.db2.gz ACPMUNPTZPDWRG-WRWGMCAJSA-N 2 0 207.321 1.396 20 30 BDEDRP C=C(C[NH+](C)C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001446766175 984675042 /nfs/dbraw/zinc/67/50/42/984675042.db2.gz RHYCLJKABSLPPL-UHFFFAOYSA-N 2 0 248.330 1.204 20 30 BDEDRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1C#N ZINC001579217911 985820479 /nfs/dbraw/zinc/82/04/79/985820479.db2.gz HGOPTGFGJGCVSX-HAQNSBGRSA-N 2 0 231.299 1.146 20 30 BDEDRP C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CC[NH3+] ZINC001579440285 985923888 /nfs/dbraw/zinc/92/38/88/985923888.db2.gz SYXORUUVYXGQHM-JHJVBQTASA-N 2 0 234.347 1.347 20 30 BDEDRP C=C[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001253588064 986184246 /nfs/dbraw/zinc/18/42/46/986184246.db2.gz RQNZOWBHVWEAEU-AWEZNQCLSA-N 2 0 247.342 1.059 20 30 BDEDRP N#CC1(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC001580038905 986453223 /nfs/dbraw/zinc/45/32/23/986453223.db2.gz VXGXTWCCVZEITK-OLZOCXBDSA-N 2 0 249.358 1.118 20 30 BDEDRP N#CC[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001580047806 986478765 /nfs/dbraw/zinc/47/87/65/986478765.db2.gz PDIPYHPWFSVQCR-CHWSQXEVSA-N 2 0 221.348 1.612 20 30 BDEDRP N#Cc1cccc(C[NH2+]C2CC3(CC([NH3+])C3)C2)n1 ZINC001580076464 986517313 /nfs/dbraw/zinc/51/73/13/986517313.db2.gz XNTMWNSYGLATOK-UHFFFAOYSA-N 2 0 242.326 1.313 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246018138 987302884 /nfs/dbraw/zinc/30/28/84/987302884.db2.gz AGLLFEJLHUABTK-QWHCGFSZSA-N 2 0 226.364 1.374 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025292 987320391 /nfs/dbraw/zinc/32/03/91/987320391.db2.gz VZIWGMFPBSCQPW-NWDGAFQWSA-N 2 0 230.327 1.076 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246029800 987332427 /nfs/dbraw/zinc/33/24/27/987332427.db2.gz LWVLPFSLWCEFPM-AGIUHOORSA-N 2 0 226.364 1.230 20 30 BDEDRP N#Cc1ccc(C(=[NH2+])N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246196490 987590583 /nfs/dbraw/zinc/59/05/83/987590583.db2.gz GKIBLGYWGBTVOV-GFCCVEGCSA-N 2 0 228.299 1.016 20 30 BDEDRP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CN1 ZINC001246206767 987603008 /nfs/dbraw/zinc/60/30/08/987603008.db2.gz SOICCEKLWMCOQG-CYDGBPFRSA-N 2 0 221.348 1.799 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246205691 987604404 /nfs/dbraw/zinc/60/44/04/987604404.db2.gz RMWAVTYQQCTXGK-DDHJBXDOSA-N 2 0 207.321 1.538 20 30 BDEDRP C[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)CC[NH2+]1 ZINC001246270769 987665731 /nfs/dbraw/zinc/66/57/31/987665731.db2.gz MXSNHTBASKDTDZ-GWCFXTLKSA-N 2 0 247.317 1.927 20 30 BDEDRP SCCCCCC[NH2+]C1CC[NH2+]CC1 ZINC001246470102 987827550 /nfs/dbraw/zinc/82/75/50/987827550.db2.gz PAMQZNMQVLTMSJ-UHFFFAOYSA-N 2 0 216.394 1.818 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474676 987832488 /nfs/dbraw/zinc/83/24/88/987832488.db2.gz AIZPDHVHRWPGKX-KXNHARMFSA-N 2 0 225.311 1.216 20 30 BDEDRP C[C@@]1([NH3+])CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001246532814 987891143 /nfs/dbraw/zinc/89/11/43/987891143.db2.gz YJDXQIBLTNZZOR-WXRRBKDZSA-N 2 0 221.348 1.882 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1 ZINC001246553279 987950112 /nfs/dbraw/zinc/95/01/12/987950112.db2.gz XXHUUJOWTOHVRT-NWDGAFQWSA-N 2 0 207.321 1.349 20 30 BDEDRP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246830445 988523915 /nfs/dbraw/zinc/52/39/15/988523915.db2.gz HHTSILZTTMJTMW-FRRDWIJNSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001521899924 989813201 /nfs/dbraw/zinc/81/32/01/989813201.db2.gz GVWKZXINEAGHOA-WOPDTQHZSA-N 2 0 239.363 1.008 20 30 BDEDRP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001261424201 992292588 /nfs/dbraw/zinc/29/25/88/992292588.db2.gz PLRHTGNZIDQHNO-GRYCIOLGSA-N 2 0 209.337 1.656 20 30 BDEDRP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001261424204 992297165 /nfs/dbraw/zinc/29/71/65/992297165.db2.gz PLRHTGNZIDQHNO-WOPDTQHZSA-N 2 0 209.337 1.656 20 30 BDEDRP C#CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)(C)C ZINC001574666850 992888290 /nfs/dbraw/zinc/88/82/90/992888290.db2.gz IMBKSNDWVCJSBH-GFCCVEGCSA-N 2 0 236.359 1.241 20 30 BDEDRP C=C(C)[C@H](CO)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001574830767 992924197 /nfs/dbraw/zinc/92/41/97/992924197.db2.gz KOBPRFYYFILFKB-YVECIDJPSA-N 2 0 238.375 1.290 20 30 BDEDRP CC#CC[NH+]1CCC2(C[NH2+][C@H]2C(C)C)CC1 ZINC001574970350 992952839 /nfs/dbraw/zinc/95/28/39/992952839.db2.gz UCXKQBGQANXVSR-ZDUSSCGKSA-N 2 0 220.360 1.720 20 30 BDEDRP C[C@@]1(C#N)CCN(CCC2([NH3+])CCOCC2)C1 ZINC001576330643 993260736 /nfs/dbraw/zinc/26/07/36/993260736.db2.gz PSPHGSOJVXDPHO-LBPRGKRZSA-N 2 0 237.347 1.120 20 30 BDEDRP CC1(C)[C@H]([NH2+]CCCC#N)[C@H]2CCC[NH2+][C@@H]21 ZINC001576380369 993287583 /nfs/dbraw/zinc/28/75/83/993287583.db2.gz PEENDCLRBNDGOF-UTUOFQBUSA-N 2 0 221.348 1.656 20 30 BDEDRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000380315886 993324955 /nfs/dbraw/zinc/32/49/55/993324955.db2.gz IXIOYCVQNUJCDJ-IJLUTSLNSA-N 2 0 207.321 1.220 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602522504 349575921 /nfs/dbraw/zinc/57/59/21/349575921.db2.gz WSXYXHJKYJQDQB-CHWSQXEVSA-N 2 0 223.364 1.858 20 30 BDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602522507 349576055 /nfs/dbraw/zinc/57/60/55/349576055.db2.gz WSXYXHJKYJQDQB-STQMWFEESA-N 2 0 223.364 1.858 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]CCCC[NH+](C)C ZINC000602525179 349577533 /nfs/dbraw/zinc/57/75/33/349577533.db2.gz RROWYIHLHAWOCP-LBPRGKRZSA-N 2 0 211.353 1.858 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000602535315 349603186 /nfs/dbraw/zinc/60/31/86/349603186.db2.gz VRIWWFLIQNSJNC-NEPJUHHUSA-N 2 0 211.353 1.856 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309955151 343108979 /nfs/dbraw/zinc/10/89/79/343108979.db2.gz HWLCRCVJULLKIU-XQQFMLRXSA-N 2 0 221.348 1.610 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CN1C1CC1 ZINC000349326192 136341646 /nfs/dbraw/zinc/34/16/46/136341646.db2.gz TVVFHYKZIVJVTC-NDBYEHHHSA-N 2 0 233.359 1.893 20 30 BDEDRP C=CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000625704141 344049092 /nfs/dbraw/zinc/04/90/92/344049092.db2.gz VXPXNROGQHCABI-ZIAGYGMSSA-N 2 0 240.391 1.586 20 30 BDEDRP C[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376650 344852297 /nfs/dbraw/zinc/85/22/97/344852297.db2.gz YQHNLSOJJRTIIG-UPJWGTAASA-N 2 0 234.347 1.502 20 30 BDEDRP C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CC[N@@H+]1C ZINC000583376649 344852314 /nfs/dbraw/zinc/85/23/14/344852314.db2.gz YQHNLSOJJRTIIG-JHJVBQTASA-N 2 0 234.347 1.502 20 30 BDEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000310311612 347261327 /nfs/dbraw/zinc/26/13/27/347261327.db2.gz DXEWZTSTOKNKSV-CQSZACIVSA-N 2 0 235.375 1.954 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000594512225 348061235 /nfs/dbraw/zinc/06/12/35/348061235.db2.gz VLUNSXKGAACBDC-LPWJVIDDSA-N 2 0 221.348 1.608 20 30 BDEDRP C[C@]1(C#N)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000595888315 348389155 /nfs/dbraw/zinc/38/91/55/348389155.db2.gz XLEKSHTUXVKYMW-GFCCVEGCSA-N 2 0 207.321 1.222 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000596652420 348607188 /nfs/dbraw/zinc/60/71/88/348607188.db2.gz UEWWAOJFAJAFJN-LSDHHAIUSA-N 2 0 243.354 1.818 20 30 BDEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000596652396 348607305 /nfs/dbraw/zinc/60/73/05/348607305.db2.gz TYWKKDCHDACZEJ-LLVKDONJSA-N 2 0 229.327 1.298 20 30 BDEDRP CC#CCN(C)CCC[N@H+](C)CC#CC ZINC000293067584 352338354 /nfs/dbraw/zinc/33/83/54/352338354.db2.gz IVBCIENHVALESC-UHFFFAOYSA-N 2 0 206.333 1.287 20 30 BDEDRP C=CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420302508 192206141 /nfs/dbraw/zinc/20/61/41/192206141.db2.gz MKNKWXBCRGXCJZ-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314508 192211992 /nfs/dbraw/zinc/21/19/92/192211992.db2.gz LCYIDMMAAUAIAG-CYBMUJFWSA-N 2 0 234.343 1.855 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000130527503 358630998 /nfs/dbraw/zinc/63/09/98/358630998.db2.gz COEKZSZMPZRZNZ-AWEZNQCLSA-N 2 0 239.407 1.568 20 30 BDEDRP CC#CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246990955 359181623 /nfs/dbraw/zinc/18/16/23/359181623.db2.gz WKZCYZHVMFIRCF-ZFWWWQNUSA-N 2 0 232.371 1.958 20 30 BDEDRP N#CCN(CCn1ccnc1)C1CCCC1 ZINC000161975324 361046707 /nfs/dbraw/zinc/04/67/07/361046707.db2.gz XPWKNXIKBZAHDJ-UHFFFAOYSA-N 2 0 218.304 1.651 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629404884 361054569 /nfs/dbraw/zinc/05/45/69/361054569.db2.gz SGSDVRWEMMLDPK-VXGBXAGGSA-N 2 0 214.353 1.413 20 30 BDEDRP C#CCN(C)CCC[NH2+]C1CC(C(C)C)C1 ZINC000381979245 367475721 /nfs/dbraw/zinc/47/57/21/367475721.db2.gz DVECJHKOQDXUQR-UHFFFAOYSA-N 2 0 222.376 1.966 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000600769099 369562550 /nfs/dbraw/zinc/56/25/50/369562550.db2.gz NUWAOHUMWUQWOJ-WDEREUQCSA-N 2 0 233.315 1.710 20 30 BDEDRP N#Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)o1 ZINC000600769832 369562681 /nfs/dbraw/zinc/56/26/81/369562681.db2.gz SKSGHNLMLMUJDY-JTQLQIEISA-N 2 0 219.288 1.240 20 30 BDEDRP C[C@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769810 369563736 /nfs/dbraw/zinc/56/37/36/369563736.db2.gz RNBSFNJEVVRCHG-WDEREUQCSA-N 2 0 233.315 1.568 20 30 BDEDRP N#Cc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)o1 ZINC000600770380 369565721 /nfs/dbraw/zinc/56/57/21/369565721.db2.gz XVWFIMWPKRTUKA-LLVKDONJSA-N 2 0 233.315 1.773 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000601325514 369621712 /nfs/dbraw/zinc/62/17/12/369621712.db2.gz DMMVHCWDNOKLPQ-SMDDNHRTSA-N 2 0 229.327 1.585 20 30 BDEDRP CC1(C)[C@H]([NH2+]CCc2ccc(C#N)cc2)C[C@@H]1[NH3+] ZINC000603434103 369966589 /nfs/dbraw/zinc/96/65/89/369966589.db2.gz QAXJEQPEDFDAJT-UONOGXRCSA-N 2 0 243.354 1.816 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000253202029 370163243 /nfs/dbraw/zinc/16/32/43/370163243.db2.gz YNVBCCXMCHUDAC-SWLSCSKDSA-N 2 0 243.354 1.975 20 30 BDEDRP C=CCCCC[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624231020 371418681 /nfs/dbraw/zinc/41/86/81/371418681.db2.gz NMRCTASTKWPBBZ-UONOGXRCSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334910 371485588 /nfs/dbraw/zinc/48/55/88/371485588.db2.gz HVOOBPWQUBVFJC-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000216029313 371683771 /nfs/dbraw/zinc/68/37/71/371683771.db2.gz NSRQIXAMAOIUNG-FZMZJTMJSA-N 2 0 229.327 1.727 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000424377772 206040164 /nfs/dbraw/zinc/04/01/64/206040164.db2.gz MYQOVBGDFXMHSC-RFGFWPKPSA-N 2 0 238.375 1.685 20 30 BDEDRP CCN(CCC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289550861 384140378 /nfs/dbraw/zinc/14/03/78/384140378.db2.gz XQJLYBKAZHHPNG-UHFFFAOYSA-N 2 0 248.374 1.670 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000335452275 384291542 /nfs/dbraw/zinc/29/15/42/384291542.db2.gz MWBFATCDSMMTTD-HNNXBMFYSA-N 2 0 241.338 1.887 20 30 BDEDRP C=CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363592999 384636747 /nfs/dbraw/zinc/63/67/47/384636747.db2.gz LPSDMWRQWPVAPJ-UHFFFAOYSA-N 2 0 238.375 1.748 20 30 BDEDRP COc1cc(CNC[C@H]([NH3+])C2CC2)ccc1C#N ZINC000414884465 384882937 /nfs/dbraw/zinc/88/29/37/384882937.db2.gz FGQWTBIBBUTNFW-ZDUSSCGKSA-N 2 0 245.326 1.394 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180457558 385391556 /nfs/dbraw/zinc/39/15/56/385391556.db2.gz ZQIXQBWANZPUMD-VXGBXAGGSA-N 2 0 228.405 1.978 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000309110991 385425653 /nfs/dbraw/zinc/42/56/53/385425653.db2.gz JQZWAKQOSDVAKN-UTUOFQBUSA-N 2 0 209.337 1.608 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181767558 385415266 /nfs/dbraw/zinc/41/52/66/385415266.db2.gz GLUDVESBFDFCAT-QWHCGFSZSA-N 2 0 226.364 1.651 20 30 BDEDRP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]2CCC[C@H]21 ZINC000309597399 385724316 /nfs/dbraw/zinc/72/43/16/385724316.db2.gz WPJISQLDHCPSNC-FRRDWIJNSA-N 2 0 221.348 1.753 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[NH2+]1 ZINC000423386357 387272061 /nfs/dbraw/zinc/27/20/61/387272061.db2.gz RSCFFFYKIGHDDX-FVCCEPFGSA-N 2 0 221.348 1.799 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CC#N)cc1 ZINC000514728546 387280626 /nfs/dbraw/zinc/28/06/26/387280626.db2.gz UMECVPQUWMYNJD-GFCCVEGCSA-N 2 0 231.343 1.970 20 30 BDEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492959 387335404 /nfs/dbraw/zinc/33/54/04/387335404.db2.gz PCYSAOORYPSAIT-ZIAGYGMSSA-N 2 0 238.375 1.699 20 30 BDEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442724548 387823053 /nfs/dbraw/zinc/82/30/53/387823053.db2.gz ZPLBIIBCNKINFF-STQMWFEESA-N 2 0 239.363 1.237 20 30 BDEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442724546 387830473 /nfs/dbraw/zinc/83/04/73/387830473.db2.gz ZPLBIIBCNKINFF-OLZOCXBDSA-N 2 0 239.363 1.237 20 30 BDEDRP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423014051 387837160 /nfs/dbraw/zinc/83/71/60/387837160.db2.gz NZPSEXGRFJVSBE-FUNVUKJBSA-N 2 0 224.348 1.452 20 30 BDEDRP C=CCCOCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423015233 387837984 /nfs/dbraw/zinc/83/79/84/387837984.db2.gz QNHUURAATBBYEP-GHMZBOCLSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423014970 387839666 /nfs/dbraw/zinc/83/96/66/387839666.db2.gz JRAQNPSVCQPJNW-TUKIKUTGSA-N 2 0 246.354 1.905 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423106556 387890611 /nfs/dbraw/zinc/89/06/11/387890611.db2.gz ZZPFUAGSLHEKJE-RQJABVFESA-N 2 0 238.375 1.698 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423092976 387883242 /nfs/dbraw/zinc/88/32/42/387883242.db2.gz FCDDGXFHXAKNMX-RYUDHWBXSA-N 2 0 221.348 1.787 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423152069 387930049 /nfs/dbraw/zinc/93/00/49/387930049.db2.gz FJEZTMBCVYVSLC-GARJFASQSA-N 2 0 200.326 1.029 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423151354 387930090 /nfs/dbraw/zinc/93/00/90/387930090.db2.gz JYLDQMCCSJOGSC-KXNHARMFSA-N 2 0 212.337 1.435 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000321043323 387936382 /nfs/dbraw/zinc/93/63/82/387936382.db2.gz TXOWWAFQVFJEDC-DDTOSNHZSA-N 2 0 232.327 1.658 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000423157762 387936817 /nfs/dbraw/zinc/93/68/17/387936817.db2.gz VQLDTWXAOULTIV-XQQFMLRXSA-N 2 0 242.363 1.064 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207708 387993916 /nfs/dbraw/zinc/99/39/16/387993916.db2.gz SBXOQTUGHIOQOV-QWHCGFSZSA-N 2 0 225.380 1.082 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000424387410 388001164 /nfs/dbraw/zinc/00/11/64/388001164.db2.gz YPPJMRPHBUJYAR-QCNOEVLYSA-N 2 0 210.321 1.047 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423270752 388048714 /nfs/dbraw/zinc/04/87/14/388048714.db2.gz IKAPLYMTIJBYKN-HIFPTAJRSA-N 2 0 223.364 1.904 20 30 BDEDRP C#CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000490763922 388251260 /nfs/dbraw/zinc/25/12/60/388251260.db2.gz YGQLOYAXVRAZBL-ZDUSSCGKSA-N 2 0 224.348 1.052 20 30 BDEDRP C#C[C@@H](C)N(C)CCC[N@H+](C)[C@H](C)C#C ZINC000491713271 388313989 /nfs/dbraw/zinc/31/39/89/388313989.db2.gz ZSZPVQXZUSSRFR-CHWSQXEVSA-N 2 0 206.333 1.284 20 30 BDEDRP C[NH+]1CCC(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000516922479 388525128 /nfs/dbraw/zinc/52/51/28/388525128.db2.gz DFQNGVYPWYZFJX-CQSZACIVSA-N 2 0 248.374 1.751 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985904 388686841 /nfs/dbraw/zinc/68/68/41/388686841.db2.gz AYKHMHCMEBSLKQ-NWDGAFQWSA-N 2 0 247.342 1.652 20 30 BDEDRP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000422994181 388687157 /nfs/dbraw/zinc/68/71/57/388687157.db2.gz UUFKIDHDQOYCND-NSHDSACASA-N 2 0 245.326 1.135 20 30 BDEDRP N#Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423097127 388687896 /nfs/dbraw/zinc/68/78/96/388687896.db2.gz ISDBCSORTFFZOQ-CABCVRRESA-N 2 0 243.354 1.818 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000423164141 388688574 /nfs/dbraw/zinc/68/85/74/388688574.db2.gz OCKYJBAGIRSVSC-UWVGGRQHSA-N 2 0 235.306 1.913 20 30 BDEDRP C=CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378245987 134245666 /nfs/dbraw/zinc/24/56/66/134245666.db2.gz FDZVZKJVDVUTGX-MGPQQGTHSA-N 2 0 238.375 1.746 20 30 BDEDRP C=CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339004227 135051543 /nfs/dbraw/zinc/05/15/43/135051543.db2.gz RTCUDBQJMJXLFL-CQSZACIVSA-N 2 0 238.375 1.607 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339211204 135066374 /nfs/dbraw/zinc/06/63/74/135066374.db2.gz FZNZLXIFWWRCKP-MCIONIFRSA-N 2 0 233.359 1.706 20 30 BDEDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000261540740 135179721 /nfs/dbraw/zinc/17/97/21/135179721.db2.gz ALFCVTVDBRSZPR-AWEZNQCLSA-N 2 0 229.327 1.729 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000341889343 135244260 /nfs/dbraw/zinc/24/42/60/135244260.db2.gz RCKDRWBENMQIEX-CYBMUJFWSA-N 2 0 240.391 1.635 20 30 BDEDRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+]1CCCC[C@H]1C ZINC000262625771 135309391 /nfs/dbraw/zinc/30/93/91/135309391.db2.gz DJXXRDHKSLSYAU-UTUOFQBUSA-N 2 0 238.379 1.187 20 30 BDEDRP CN1CC[NH+]=C1NCC[N@H+](C)C1CCCCC1 ZINC000262685711 135313697 /nfs/dbraw/zinc/31/36/97/135313697.db2.gz YIVPYIMTEBHXJH-UHFFFAOYSA-N 2 0 238.379 1.142 20 30 BDEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000651959239 409729698 /nfs/dbraw/zinc/72/96/98/409729698.db2.gz FFQSXJQZNVRWGG-UONOGXRCSA-N 2 0 240.391 1.899 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651433831 411025502 /nfs/dbraw/zinc/02/55/02/411025502.db2.gz NJUZHMVNPMAUBD-BNOWGMLFSA-N 2 0 238.375 1.650 20 30 BDEDRP C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400930126 411163770 /nfs/dbraw/zinc/16/37/70/411163770.db2.gz OANDUIHKNAKTKU-UMSGYPCISA-N 2 0 208.349 1.929 20 30 BDEDRP C=CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400931233 411163794 /nfs/dbraw/zinc/16/37/94/411163794.db2.gz ONAOGOAKFRSNAZ-FRRDWIJNSA-N 2 0 208.349 1.930 20 30 BDEDRP C=C(C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400909739 411165584 /nfs/dbraw/zinc/16/55/84/411165584.db2.gz AZAPVUYZOYPDTC-YNEHKIRRSA-N 2 0 208.349 1.930 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000189587510 170015686 /nfs/dbraw/zinc/01/56/86/170015686.db2.gz QQKKJHBJZCLREF-GFCCVEGCSA-N 2 0 246.358 1.328 20 30 BDEDRP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)COC ZINC000662298939 412086511 /nfs/dbraw/zinc/08/65/11/412086511.db2.gz HQMVJZKMAZTFPD-CHWSQXEVSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292584 412237446 /nfs/dbraw/zinc/23/74/46/412237446.db2.gz DGVJFVJFIKPNDV-SECBINFHSA-N 2 0 236.319 1.085 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678774692 487641580 /nfs/dbraw/zinc/64/15/80/487641580.db2.gz CBVJSJJUKQZDKJ-STQMWFEESA-N 2 0 240.391 1.491 20 30 BDEDRP C=CCOCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756201 487662746 /nfs/dbraw/zinc/66/27/46/487662746.db2.gz RMHHVNODZDUJJI-UHFFFAOYSA-N 2 0 238.375 1.607 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000424377338 229159917 /nfs/dbraw/zinc/15/99/17/229159917.db2.gz RBRFZLRVUWGSOD-WUHRBBMRSA-N 2 0 221.348 1.786 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000231801163 641207123 /nfs/dbraw/zinc/20/71/23/641207123.db2.gz SUMKWDBXKFRRRN-RYUDHWBXSA-N 2 0 212.337 1.296 20 30 BDEDRP COCC#CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000677133031 487967763 /nfs/dbraw/zinc/96/77/63/487967763.db2.gz DILZVLLAXAQJNS-UHFFFAOYSA-N 2 0 238.375 1.300 20 30 BDEDRP C=C[C@@H]1CCCCN1C[C@@H](O)C[N@@H+](C)CC ZINC000566412109 326041050 /nfs/dbraw/zinc/04/10/50/326041050.db2.gz BZPOLOWFWHDQCP-OLZOCXBDSA-N 2 0 226.364 1.340 20 30 BDEDRP C=CCN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000568249325 326334652 /nfs/dbraw/zinc/33/46/52/326334652.db2.gz NNYMWAKFWJKPSV-JSGCOSHPSA-N 2 0 237.391 1.496 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000320214087 488091963 /nfs/dbraw/zinc/09/19/63/488091963.db2.gz FVVQPIFFCVWSBJ-TZMCWYRMSA-N 2 0 240.391 1.633 20 30 BDEDRP C=CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618334 534819386 /nfs/dbraw/zinc/81/93/86/534819386.db2.gz OVLJHUDCPYKALP-AWEZNQCLSA-N 2 0 237.391 1.273 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262335168 535597991 /nfs/dbraw/zinc/59/79/91/535597991.db2.gz SBDJWOROZYPYEN-LBPRGKRZSA-N 2 0 238.379 1.175 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CC1 ZINC000262462497 535597033 /nfs/dbraw/zinc/59/70/33/535597033.db2.gz MTPHUVPYBAIVLN-NSHDSACASA-N 2 0 238.379 1.175 20 30 BDEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000104192940 582792383 /nfs/dbraw/zinc/79/23/83/582792383.db2.gz GDNZULAXBPLCER-SNVBAGLBSA-N 2 0 226.368 1.029 20 30 BDEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000893677375 583196127 /nfs/dbraw/zinc/19/61/27/583196127.db2.gz SIYFMXQYRAUEKT-ZIAGYGMSSA-N 2 0 236.359 1.099 20 30 BDEDRP C[N@H+](CCOCC[NH3+])CC1CCC(C#N)CC1 ZINC000903474549 584776780 /nfs/dbraw/zinc/77/67/80/584776780.db2.gz OMAZDIABHXXVLR-UHFFFAOYSA-N 2 0 239.363 1.223 20 30 BDEDRP CC(C)(C)[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000747043883 585174379 /nfs/dbraw/zinc/17/43/79/585174379.db2.gz NAGWMOYWCAIDJF-UHFFFAOYSA-N 2 0 221.308 1.377 20 30 BDEDRP C#CCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000766906649 585508993 /nfs/dbraw/zinc/50/89/93/585508993.db2.gz SWXCUOGCSQMSQV-UHFFFAOYSA-N 2 0 229.327 1.617 20 30 BDEDRP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774271304 585655575 /nfs/dbraw/zinc/65/55/75/585655575.db2.gz IQCBGJMMQQGVSJ-FUDCBSFHSA-N 2 0 238.375 1.386 20 30 BDEDRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1C#N ZINC000817916009 586839450 /nfs/dbraw/zinc/83/94/50/586839450.db2.gz UAJHPILKFJMFRF-QWRGUYRKSA-N 2 0 247.342 1.782 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917768 586840640 /nfs/dbraw/zinc/84/06/40/586840640.db2.gz HIICLJXQCCFGCX-NWDGAFQWSA-N 2 0 247.342 1.804 20 30 BDEDRP C#CCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000851985840 588651990 /nfs/dbraw/zinc/65/19/90/588651990.db2.gz SPEKIGDSVDUFDR-ZDUSSCGKSA-N 2 0 224.348 1.052 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274742 590016597 /nfs/dbraw/zinc/01/65/97/590016597.db2.gz FVXNBGNEXYBVIW-ZIBATOQPSA-N 2 0 243.354 1.741 20 30 BDEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000126048557 590221391 /nfs/dbraw/zinc/22/13/91/590221391.db2.gz PIFQNRWRODPSQI-UHFFFAOYSA-N 2 0 240.395 1.517 20 30 BDEDRP C=CCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125150 590698949 /nfs/dbraw/zinc/69/89/49/590698949.db2.gz RBEQDMZEPJZDNT-UHFFFAOYSA-N 2 0 240.391 1.853 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879575876 590812289 /nfs/dbraw/zinc/81/22/89/590812289.db2.gz NRDOSJMWHSNECU-RDBSUJKOSA-N 2 0 238.375 1.340 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879575874 590814405 /nfs/dbraw/zinc/81/44/05/590814405.db2.gz NRDOSJMWHSNECU-IHRRRGAJSA-N 2 0 238.375 1.340 20 30 BDEDRP C#CCSCC[NH2+]C1CC[NH+](CC)CC1 ZINC000132273579 591697152 /nfs/dbraw/zinc/69/71/52/591697152.db2.gz BTLNWOSEZMVDBK-UHFFFAOYSA-N 2 0 226.389 1.427 20 30 BDEDRP C#CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC#C)CC1 ZINC000886394035 592222770 /nfs/dbraw/zinc/22/27/70/592222770.db2.gz NKTQGQGATNNQQU-HDJSIYSDSA-N 2 0 218.344 1.428 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000104181121 592603167 /nfs/dbraw/zinc/60/31/67/592603167.db2.gz WDYXNSXPOQXOCB-UHFFFAOYSA-N 2 0 238.379 1.199 20 30 BDEDRP C[NH+](C)[C@H](CNC(=[NH2+])NCC1CCC1)C1CC1 ZINC000104175809 634574626 /nfs/dbraw/zinc/57/46/26/634574626.db2.gz XWRUYUVAHJPNIV-GFCCVEGCSA-N 2 0 238.379 1.031 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000308916414 632429529 /nfs/dbraw/zinc/42/95/29/632429529.db2.gz NUNDHYYXYJAVMQ-OLZOCXBDSA-N 2 0 206.333 1.283 20 30 BDEDRP CCNC(NCCC[N@H+](C)C(C)C)=[NH+]CC ZINC000066245416 632861124 /nfs/dbraw/zinc/86/11/24/632861124.db2.gz RLRSVNLUNWLIBZ-UHFFFAOYSA-N 2 0 228.384 1.292 20 30 BDEDRP CCNC(NC[C@H](C)[NH+]1CCCC1)=[NH+]CC ZINC000066245303 632861337 /nfs/dbraw/zinc/86/13/37/632861337.db2.gz QLWOYYXCZBROGX-NSHDSACASA-N 2 0 226.368 1.046 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926728991 632893136 /nfs/dbraw/zinc/89/31/36/632893136.db2.gz XYLFTPBJWINCIO-SWLSCSKDSA-N 2 0 248.370 1.946 20 30 BDEDRP C#CCC[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000162481572 636034207 /nfs/dbraw/zinc/03/42/07/636034207.db2.gz VNRJNYTWFFWIBC-HNNXBMFYSA-N 2 0 249.402 1.112 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303257856 636303468 /nfs/dbraw/zinc/30/34/68/636303468.db2.gz JWMASVMAZBEZOL-GHMZBOCLSA-N 2 0 238.379 1.174 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CCCC ZINC000911879110 639864859 /nfs/dbraw/zinc/86/48/59/639864859.db2.gz CRCUVSVBLCJHSA-NEPJUHHUSA-N 2 0 241.379 1.304 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931438073 640203086 /nfs/dbraw/zinc/20/30/86/640203086.db2.gz ZAFXUFCFAZKKKY-HZSPNIEDSA-N 2 0 238.375 1.197 20 30 BDEDRP CCC#C[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482711 640235096 /nfs/dbraw/zinc/23/50/96/640235096.db2.gz NOWDSQCZGONVSC-ZDUSSCGKSA-N 2 0 238.375 1.177 20 30 BDEDRP C#CCC1([NH2+]C[C@H]2CCCN2C)CCC1 ZINC000933294056 640699239 /nfs/dbraw/zinc/69/92/39/640699239.db2.gz FDYQLONKHDOQAO-GFCCVEGCSA-N 2 0 206.333 1.616 20 30 BDEDRP C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000228201103 640866122 /nfs/dbraw/zinc/86/61/22/640866122.db2.gz RXHSJYASYJRFIY-ZIAGYGMSSA-N 2 0 220.360 1.816 20 30 BDEDRP C[C@H]1CCC[C@](CNC(=[NH2+])N(C)C)([NH+](C)C)C1 ZINC000170909607 640937323 /nfs/dbraw/zinc/93/73/23/640937323.db2.gz FMCJXITZXVFEMQ-AAEUAGOBSA-N 2 0 240.395 1.373 20 30 BDEDRP CNC(NCC[C@@H](C)[NH+]1CCCCC1)=[NH+]C ZINC000305806591 642702611 /nfs/dbraw/zinc/70/26/11/642702611.db2.gz GSHCVMHMCRCYQA-LLVKDONJSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181305263 642861460 /nfs/dbraw/zinc/86/14/60/642861460.db2.gz YBHPAMSOFYONND-STQMWFEESA-N 2 0 208.349 1.862 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000923347297 644361423 /nfs/dbraw/zinc/36/14/23/644361423.db2.gz XRRPOLIJJLKFGM-NSHDSACASA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCC[C@H](O)CN1CCCC[C@H]1C[NH2+]C ZINC000923429835 644422848 /nfs/dbraw/zinc/42/28/48/644422848.db2.gz FOZWRTWWMQVKRI-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923445099 644429634 /nfs/dbraw/zinc/42/96/34/644429634.db2.gz XITNFOWYWHMHCQ-CHWSQXEVSA-N 2 0 238.375 1.781 20 30 BDEDRP C=C(Cl)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451653 644440472 /nfs/dbraw/zinc/44/04/72/644440472.db2.gz MWTTZIYXYDJFBH-LLVKDONJSA-N 2 0 244.766 1.569 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1C[NH3+] ZINC000923490338 644466381 /nfs/dbraw/zinc/46/63/81/644466381.db2.gz MXZSQVQZMONFQG-WDEREUQCSA-N 2 0 233.315 1.568 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303364258 644818403 /nfs/dbraw/zinc/81/84/03/644818403.db2.gz FMNYENMFAYIHKR-JTQLQIEISA-N 2 0 214.357 1.029 20 30 BDEDRP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000303464214 644826992 /nfs/dbraw/zinc/82/69/92/644826992.db2.gz CLUZMKMMAMTFOL-NSHDSACASA-N 2 0 240.395 1.434 20 30 BDEDRP CCC(CC)[C@H](CNC(=[NH2+])NC(C)C)[NH+](C)C ZINC000303776267 644844316 /nfs/dbraw/zinc/84/43/16/644844316.db2.gz HUCKGLIZPVCUIO-LBPRGKRZSA-N 2 0 242.411 1.666 20 30 BDEDRP CC(C)NC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303784593 644845984 /nfs/dbraw/zinc/84/59/84/644845984.db2.gz PJSZHEBSGGFNHF-UHFFFAOYSA-N 2 0 240.395 1.564 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000303880004 644853072 /nfs/dbraw/zinc/85/30/72/644853072.db2.gz GWJQATLFEGXWNG-UHFFFAOYSA-N 2 0 238.379 1.343 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303903201 644855555 /nfs/dbraw/zinc/85/55/55/644855555.db2.gz YHKJLIWXYZREPM-GFCCVEGCSA-N 2 0 240.395 1.420 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000303973690 644861494 /nfs/dbraw/zinc/86/14/94/644861494.db2.gz HAKSJZWXWZEEBQ-NSHDSACASA-N 2 0 228.384 1.421 20 30 BDEDRP CC[N@@H+]1CCCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000304083370 644870395 /nfs/dbraw/zinc/87/03/95/644870395.db2.gz ZCJOMMJNAUAVSZ-LBPRGKRZSA-N 2 0 238.379 1.188 20 30 BDEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1(C#N)CC1 ZINC000926872779 645457435 /nfs/dbraw/zinc/45/74/35/645457435.db2.gz AOWNNAUNUDTIQA-FOSCPWQOSA-N 2 0 219.332 1.220 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925657255 646395102 /nfs/dbraw/zinc/39/51/02/646395102.db2.gz RRAIOIIUJWGEBV-GHMZBOCLSA-N 2 0 219.332 1.540 20 30 BDEDRP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390654099 711130672 /nfs/dbraw/zinc/13/06/72/711130672.db2.gz QDFYFOWODGQWJY-WODVXLOZSA-N 2 0 224.348 1.138 20 30 BDEDRP C=CC[C@H](CC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000393761448 711172205 /nfs/dbraw/zinc/17/22/05/711172205.db2.gz XEDUCRMOTYKUGJ-XNBXPENISA-N 2 0 220.360 1.927 20 30 BDEDRP C=CC[C@H](CC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000393761446 711172737 /nfs/dbraw/zinc/17/27/37/711172737.db2.gz XEDUCRMOTYKUGJ-SNIKSBKOSA-N 2 0 220.360 1.927 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723711939 711535729 /nfs/dbraw/zinc/53/57/29/711535729.db2.gz KXJFTIWJJSCTDV-LBPRGKRZSA-N 2 0 229.327 1.729 20 30 BDEDRP C[NH+]1CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC000709401485 712220810 /nfs/dbraw/zinc/22/08/10/712220810.db2.gz IJXBYTJZKKWFBL-UHFFFAOYSA-N 2 0 221.348 1.564 20 30 BDEDRP C=C[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252558931 968805422 /nfs/dbraw/zinc/80/54/22/968805422.db2.gz KLKQHHRRYJKADC-ZDUSSCGKSA-N 2 0 238.375 1.341 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001252620548 968879350 /nfs/dbraw/zinc/87/93/50/968879350.db2.gz WOJZROHMXXVXDI-IHRRRGAJSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253408609 969162702 /nfs/dbraw/zinc/16/27/02/969162702.db2.gz XMQKFZBROMVSME-NSHDSACASA-N 2 0 214.353 1.291 20 30 BDEDRP C=CCCCCN(CC[NH+](C)C)CC[NH+](C)C ZINC001209202501 969388268 /nfs/dbraw/zinc/38/82/68/969388268.db2.gz IYARZBYIJBDAKI-UHFFFAOYSA-N 2 0 241.423 1.768 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405447303 971258846 /nfs/dbraw/zinc/25/88/46/971258846.db2.gz FTVOSJNJWOVANO-IJLUTSLNSA-N 2 0 224.348 1.173 20 30 BDEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762952 974146044 /nfs/dbraw/zinc/14/60/44/974146044.db2.gz NTTSPKSYTPQNEY-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]([NH3+])C(C)C ZINC001217933035 971535294 /nfs/dbraw/zinc/53/52/94/971535294.db2.gz HCVJLXSALFJUIH-JHJVBQTASA-N 2 0 226.364 1.683 20 30 BDEDRP C=C[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110736 974377021 /nfs/dbraw/zinc/37/70/21/974377021.db2.gz OCIWZGARDQYHGQ-RVMXOQNASA-N 2 0 224.348 1.138 20 30 BDEDRP C=CCCC[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222527766 972539880 /nfs/dbraw/zinc/53/98/80/972539880.db2.gz QHZGSVRPTTVNOI-UHFFFAOYSA-N 2 0 200.301 1.715 20 30 BDEDRP C=CCCC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513803 971911007 /nfs/dbraw/zinc/91/10/07/971911007.db2.gz ZDLTZVOZFHUKLO-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=CCc1cc(C)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898516 972053374 /nfs/dbraw/zinc/05/33/74/972053374.db2.gz OUOHMFSEDCFGRZ-GFCCVEGCSA-N 2 0 234.347 1.554 20 30 BDEDRP COc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1CC#N ZINC001170899225 972062241 /nfs/dbraw/zinc/06/22/41/972062241.db2.gz IPLRZAAHTRZNJQ-CYBMUJFWSA-N 2 0 248.330 1.197 20 30 BDEDRP N#Cc1c[nH]c2cc(N[C@H]([NH3+])CCC[NH3+])ccc12 ZINC001170901048 972070423 /nfs/dbraw/zinc/07/04/23/972070423.db2.gz UVEMPPSOKDAELO-ZDUSSCGKSA-N 2 0 243.314 1.475 20 30 BDEDRP C=C(C)CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001219879197 972106593 /nfs/dbraw/zinc/10/65/93/972106593.db2.gz BBQFAGGLFVHDPU-LBPRGKRZSA-N 2 0 241.379 1.174 20 30 BDEDRP N#Cc1cc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159786421 972113476 /nfs/dbraw/zinc/11/34/76/972113476.db2.gz ZYAQYCBTYDCSRM-SECBINFHSA-N 2 0 239.710 1.042 20 30 BDEDRP N#CC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC001246187242 972212323 /nfs/dbraw/zinc/21/23/23/972212323.db2.gz NFFNMDGWIDFQBG-HTAVTVPLSA-N 2 0 207.321 1.410 20 30 BDEDRP C#CCCC[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001209268150 957377586 /nfs/dbraw/zinc/37/75/86/957377586.db2.gz VIQXKAPPICFYTC-UHFFFAOYSA-N 2 0 208.349 1.816 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]CCCC#N)CC1 ZINC000309030416 959563384 /nfs/dbraw/zinc/56/33/84/959563384.db2.gz DHPOPCKBJNILDX-UHFFFAOYSA-N 2 0 209.337 1.753 20 30 BDEDRP C#CCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001155655897 963142715 /nfs/dbraw/zinc/14/27/15/963142715.db2.gz SXONAVMJFAATHZ-UHFFFAOYSA-N 2 0 245.326 1.600 20 30 BDEDRP C=CCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209840 967423903 /nfs/dbraw/zinc/42/39/03/967423903.db2.gz LTMLTTSTJWDXLM-ZDUSSCGKSA-N 2 0 226.364 1.518 20 30 BDEDRP C#CCCC[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206296341 968206452 /nfs/dbraw/zinc/20/64/52/968206452.db2.gz RIIQOCPXLCWWMP-ZDUSSCGKSA-N 2 0 208.349 1.851 20 30 BDEDRP C=CCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207398234 968750615 /nfs/dbraw/zinc/75/06/15/968750615.db2.gz BHDMOSTWMIWQOU-UHFFFAOYSA-N 2 0 237.391 1.132 20 30 BDEDRP C=C[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252555050 968796720 /nfs/dbraw/zinc/79/67/20/968796720.db2.gz OFKKJONGCQOFLO-CYBMUJFWSA-N 2 0 226.364 1.197 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252614001 968869380 /nfs/dbraw/zinc/86/93/80/968869380.db2.gz FATQMFKCWVBBLY-UONOGXRCSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252614610 968872418 /nfs/dbraw/zinc/87/24/18/968872418.db2.gz MTELHLZNKBGYLZ-QWHCGFSZSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252624147 968886887 /nfs/dbraw/zinc/88/68/87/968886887.db2.gz YLTQPWAVQOFWCI-MJBXVCDLSA-N 2 0 240.391 1.776 20 30 BDEDRP C#CCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000384220909 969186311 /nfs/dbraw/zinc/18/63/11/969186311.db2.gz FCIXVDCWUNZAFQ-UHFFFAOYSA-N 2 0 220.360 1.960 20 30 BDEDRP C=C[C@H](O)C[N@@H+](C)C1CC[NH+](CCCC)CC1 ZINC001253588040 969277818 /nfs/dbraw/zinc/27/78/18/969277818.db2.gz RGKOZHSAQDYLQY-AWEZNQCLSA-N 2 0 240.391 1.730 20 30 BDEDRP C=CCCC[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001209160197 969361776 /nfs/dbraw/zinc/36/17/76/969361776.db2.gz ITAMNVUQWLDDLU-UHFFFAOYSA-N 2 0 239.407 1.522 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012312 969695895 /nfs/dbraw/zinc/69/58/95/969695895.db2.gz KFFFYYKJUROQHL-VXGBXAGGSA-N 2 0 246.358 1.693 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001254645429 969761898 /nfs/dbraw/zinc/76/18/98/969761898.db2.gz BOLRFNFKIGRVNP-RISCZKNCSA-N 2 0 229.327 1.927 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001254674187 969780147 /nfs/dbraw/zinc/78/01/47/969780147.db2.gz VKRBAIQSTXRSBU-CHWSQXEVSA-N 2 0 233.359 1.706 20 30 BDEDRP CC[C@H](CC#N)[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246567407 972816541 /nfs/dbraw/zinc/81/65/41/972816541.db2.gz KSOBIPLQEVTRNU-JHJVBQTASA-N 2 0 223.364 1.985 20 30 BDEDRP C[C@H](CCCC#N)[NH+]1CCC(C)([NH3+])CC1 ZINC001172484905 974789320 /nfs/dbraw/zinc/78/93/20/974789320.db2.gz JLHCQORNJLZBKV-LLVKDONJSA-N 2 0 209.337 1.882 20 30 BDEDRP C[C@H](CCCC#N)[N@H+](C)CCC[NH+](C)C ZINC001172493837 974841701 /nfs/dbraw/zinc/84/17/01/974841701.db2.gz OKCFIALHAFLEDT-GFCCVEGCSA-N 2 0 211.353 1.952 20 30 BDEDRP C[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC001336738778 977896543 /nfs/dbraw/zinc/89/65/43/977896543.db2.gz FBYCHDCLMJKWPM-CYBMUJFWSA-N 2 0 234.347 1.361 20 30 BDEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC001337708006 978466491 /nfs/dbraw/zinc/46/64/91/978466491.db2.gz BNTHUROYGYDNSI-UHFFFAOYSA-N 2 0 231.343 1.956 20 30 BDEDRP C=C(C)[C@@H]1CC=C(CN(CC[NH3+])CC[NH3+])CC1 ZINC001235877148 979178503 /nfs/dbraw/zinc/17/85/03/979178503.db2.gz LPGQXEPQAHALIF-CQSZACIVSA-N 2 0 237.391 1.508 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2[nH]ccc2C#N)CC[C@H]1C[NH3+] ZINC001205638061 981375448 /nfs/dbraw/zinc/37/54/48/981375448.db2.gz KVNFMZUYSTVTAH-RYUDHWBXSA-N 2 0 246.358 1.693 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC001580055894 984379102 /nfs/dbraw/zinc/37/91/02/984379102.db2.gz ACPMUNPTZPDWRG-NNYUYHANSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)COC ZINC000691844663 985698027 /nfs/dbraw/zinc/69/80/27/985698027.db2.gz LXFANCHWSFHUJT-AGIUHOORSA-N 2 0 226.364 1.365 20 30 BDEDRP C=CCC[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC001258720209 986047277 /nfs/dbraw/zinc/04/72/77/986047277.db2.gz UMDPRDWNTVIQNE-ZDUSSCGKSA-N 2 0 225.380 1.308 20 30 BDEDRP C=CCC[C@H](C)N(CC[NH3+])CC[NH+](CC)CC ZINC001258720194 986048072 /nfs/dbraw/zinc/04/80/72/986048072.db2.gz UGCQWYYTSWMDQK-AWEZNQCLSA-N 2 0 241.423 1.944 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCC[N@H+](C)CCO ZINC001258724916 986062431 /nfs/dbraw/zinc/06/24/31/986062431.db2.gz DHMQVLUOPRSMIY-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001253611318 986288148 /nfs/dbraw/zinc/28/81/48/986288148.db2.gz NJOUKCGMWFTZNS-IHRRRGAJSA-N 2 0 240.391 1.776 20 30 BDEDRP C=C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001253611688 986290288 /nfs/dbraw/zinc/29/02/88/986290288.db2.gz SNEQCVPGUQBBSY-AVGNSLFASA-N 2 0 226.364 1.242 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040614 986447472 /nfs/dbraw/zinc/44/74/72/986447472.db2.gz LTLBNNIUYNLYFA-FVCCEPFGSA-N 2 0 219.332 1.220 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001245982584 987242271 /nfs/dbraw/zinc/24/22/71/987242271.db2.gz KWPGGVQGHXKWDU-XQQFMLRXSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001245986644 987267227 /nfs/dbraw/zinc/26/72/27/987267227.db2.gz YUXQJWPGKGREPK-AVGNSLFASA-N 2 0 226.364 1.149 20 30 BDEDRP C#CC(CC)(CC)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246070505 987356462 /nfs/dbraw/zinc/35/64/62/987356462.db2.gz BXYJVVRIQWGEQA-NWDGAFQWSA-N 2 0 208.349 1.909 20 30 BDEDRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C[NH2+]1 ZINC001246100919 987421986 /nfs/dbraw/zinc/42/19/86/987421986.db2.gz UOYBIKGGXOGMNS-MROQNXINSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C[NH2+]1 ZINC001246100922 987422914 /nfs/dbraw/zinc/42/29/14/987422914.db2.gz UOYBIKGGXOGMNS-NDBYEHHHSA-N 2 0 221.348 1.656 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246197993 987592085 /nfs/dbraw/zinc/59/20/85/987592085.db2.gz NCFSMWVAVBYVRV-RYUDHWBXSA-N 2 0 209.337 1.658 20 30 BDEDRP C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C[NH2+]1 ZINC001246221817 987620321 /nfs/dbraw/zinc/62/03/21/987620321.db2.gz KDWKEAXRLKLYMG-SCZZXKLOSA-N 2 0 236.294 1.067 20 30 BDEDRP C=CCOC1CCC([NH2+]C[C@H]([NH3+])CC)CC1 ZINC001246315734 987720930 /nfs/dbraw/zinc/72/09/30/987720930.db2.gz VUOBPZHMAZIKJD-PNESKVBLSA-N 2 0 226.364 1.827 20 30 BDEDRP C[C@H]1C[C@@H](NCc2cncc(C#N)c2)CC[NH2+]1 ZINC001246352550 987758736 /nfs/dbraw/zinc/75/87/36/987758736.db2.gz RVCFMBZCRSXXBL-GWCFXTLKSA-N 2 0 230.315 1.183 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCC[NH2+]CCCC[NH3+] ZINC001246455527 987814229 /nfs/dbraw/zinc/81/42/29/987814229.db2.gz GIDHUGBMZXVRPT-ZDUSSCGKSA-N 3 0 227.396 1.649 20 30 BDEDRP C[C@@]1([NH3+])CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246530615 987885699 /nfs/dbraw/zinc/88/56/99/987885699.db2.gz NPABACMEFTZMLN-HTAVTVPLSA-N 2 0 207.321 1.492 20 30 BDEDRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001246544288 987921731 /nfs/dbraw/zinc/92/17/31/987921731.db2.gz QEVPPFSMKJYRQC-CQLXCSJHSA-N 2 0 221.348 1.880 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C1 ZINC001246546678 987925342 /nfs/dbraw/zinc/92/53/42/987925342.db2.gz NGDONQYGNGXBNI-UTUOFQBUSA-N 2 0 207.321 1.492 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565615 988015185 /nfs/dbraw/zinc/01/51/85/988015185.db2.gz ZCYCLBRYZZFRFV-OLZOCXBDSA-N 2 0 226.364 1.517 20 30 BDEDRP C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)C[C@H]1[NH3+] ZINC001246567079 988032354 /nfs/dbraw/zinc/03/23/54/988032354.db2.gz JUBAREZVACAUHM-IKWCTNDRSA-N 2 0 221.348 1.738 20 30 BDEDRP N#CC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246629604 988304258 /nfs/dbraw/zinc/30/42/58/988304258.db2.gz FJCHOULXYFAHHQ-IFWUJCSASA-N 2 0 219.332 1.505 20 30 BDEDRP N#CCC1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246645689 988362272 /nfs/dbraw/zinc/36/22/72/988362272.db2.gz VNJLHIXHKUKUKU-CLRIEMFWSA-N 2 0 233.359 1.895 20 30 BDEDRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)CC[NH2+]1 ZINC001246830447 988521283 /nfs/dbraw/zinc/52/12/83/988521283.db2.gz HHTSILZTTMJTMW-UPJWGTAASA-N 2 0 221.348 1.753 20 30 BDEDRP C=C1C[C@@H]2CC(N(CC[NH3+])CC[NH3+])C[C@H](C1)C2 ZINC001246830625 988524270 /nfs/dbraw/zinc/52/42/70/988524270.db2.gz KEOXPHYAMCACIM-PBWFPOADSA-N 2 0 237.391 1.341 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837922 988538395 /nfs/dbraw/zinc/53/83/95/988538395.db2.gz WZDDCYFFXDDOEU-JHJVBQTASA-N 2 0 206.333 1.472 20 30 BDEDRP C#CC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772080 991036490 /nfs/dbraw/zinc/03/64/90/991036490.db2.gz GMCIMXKKSLOPCN-UHFFFAOYSA-N 2 0 246.354 1.692 20 30 BDEDRP C=C[C@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC001308710361 991105073 /nfs/dbraw/zinc/10/50/73/991105073.db2.gz VDFTZUZFYHAMBI-CYBMUJFWSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001261482105 992333704 /nfs/dbraw/zinc/33/37/04/992333704.db2.gz ATITXBWTXGWEES-CYBMUJFWSA-N 2 0 224.348 1.263 20 30 BDEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001262112850 992687364 /nfs/dbraw/zinc/68/73/64/992687364.db2.gz VEUXCLBNZVYCDI-CYBMUJFWSA-N 2 0 238.375 1.223 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC2(C[C@H]2[NH3+])C1 ZINC001574961293 992950738 /nfs/dbraw/zinc/95/07/38/992950738.db2.gz XFCWAQZHMURHEE-VFIJVLHUSA-N 2 0 222.332 1.189 20 30 BDEDRP CCC(CC)(C[NH3+])CN1CC[C@@](C)(C#N)C1 ZINC001577051140 993488198 /nfs/dbraw/zinc/48/81/98/993488198.db2.gz IOGAJRGASUBFMD-LBPRGKRZSA-N 2 0 223.364 1.987 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404542930 398203206 /nfs/dbraw/zinc/20/32/06/398203206.db2.gz HXJOYLYYOQVCPR-SNVBAGLBSA-N 2 0 235.306 1.914 20 30 BDEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602522505 349575938 /nfs/dbraw/zinc/57/59/38/349575938.db2.gz WSXYXHJKYJQDQB-OLZOCXBDSA-N 2 0 223.364 1.858 20 30 BDEDRP N#CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844731 349781079 /nfs/dbraw/zinc/78/10/79/349781079.db2.gz FDGNRFXGBWSYKF-UHFFFAOYSA-N 2 0 244.342 1.897 20 30 BDEDRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCC#N)C1 ZINC000602888657 349794413 /nfs/dbraw/zinc/79/44/13/349794413.db2.gz AICMXHHROXKVNC-CYBMUJFWSA-N 2 0 239.363 1.069 20 30 BDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363258300 136269195 /nfs/dbraw/zinc/26/91/95/136269195.db2.gz FKLFZWLYTVLBAO-RDBSUJKOSA-N 2 0 220.360 1.979 20 30 BDEDRP C=C(C)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258298 136269239 /nfs/dbraw/zinc/26/92/39/136269239.db2.gz FKLFZWLYTVLBAO-MCIONIFRSA-N 2 0 220.360 1.979 20 30 BDEDRP C[C@H]1C[C@@H]([N@H+](C)CCOCCC#N)CCN1C ZINC000339010360 136280070 /nfs/dbraw/zinc/28/00/70/136280070.db2.gz LYQQVMQHWCSFIB-STQMWFEESA-N 2 0 239.363 1.331 20 30 BDEDRP C[NH2+]C[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000071145580 343621894 /nfs/dbraw/zinc/62/18/94/343621894.db2.gz NMTDUVBKBXNPHQ-LBPRGKRZSA-N 2 0 229.327 1.600 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248393968 345367617 /nfs/dbraw/zinc/36/76/17/345367617.db2.gz MMRXMLZAHUQEPP-UONOGXRCSA-N 2 0 220.360 1.816 20 30 BDEDRP C(CCNC1=[NH+]CCCN1)CC[NH+]1CCCC1 ZINC000563432259 323125235 /nfs/dbraw/zinc/12/52/35/323125235.db2.gz LHEHYNUSGBPHEN-UHFFFAOYSA-N 2 0 238.379 1.191 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309818095 347174985 /nfs/dbraw/zinc/17/49/85/347174985.db2.gz VSMRCPBWBJDGQT-FRRDWIJNSA-N 2 0 226.364 1.243 20 30 BDEDRP N#Cc1cnccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000592485425 347786305 /nfs/dbraw/zinc/78/63/05/347786305.db2.gz PWYOROXKJAFXPO-GFCCVEGCSA-N 2 0 244.342 1.514 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592471022 347790181 /nfs/dbraw/zinc/79/01/81/347790181.db2.gz RXZBGNCEIKPMAO-FRRDWIJNSA-N 2 0 233.359 1.658 20 30 BDEDRP C[C@@]1(C#N)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000595904510 348396049 /nfs/dbraw/zinc/39/60/49/348396049.db2.gz DZHQCBBTYOYRHF-NEPJUHHUSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CCCSCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000596650195 348605074 /nfs/dbraw/zinc/60/50/74/348605074.db2.gz JDNFOKQEIQNFTF-JTQLQIEISA-N 2 0 214.378 1.493 20 30 BDEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000596650626 348606060 /nfs/dbraw/zinc/60/60/60/348606060.db2.gz MBLQHBCKZSRDKB-WDEREUQCSA-N 2 0 214.378 1.765 20 30 BDEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719219 349027033 /nfs/dbraw/zinc/02/70/33/349027033.db2.gz IJXZQBAEYOZDEW-VXGBXAGGSA-N 2 0 241.379 1.217 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542342 362961035 /nfs/dbraw/zinc/96/10/35/362961035.db2.gz WLEONNZKMCGQJT-OLZOCXBDSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000398160490 363020819 /nfs/dbraw/zinc/02/08/19/363020819.db2.gz IAIDSMMDNOKKCK-ZIAGYGMSSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638747725 352682350 /nfs/dbraw/zinc/68/23/50/352682350.db2.gz IGNDTEWZQAMHRA-NSHDSACASA-N 2 0 226.364 1.386 20 30 BDEDRP C=C(C)CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344024441 354085584 /nfs/dbraw/zinc/08/55/84/354085584.db2.gz IIZNNGZKCCBCFF-UHFFFAOYSA-N 2 0 241.423 1.768 20 30 BDEDRP C=C(C)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344038788 354101802 /nfs/dbraw/zinc/10/18/02/354101802.db2.gz GDZIABRFPVCYKI-UHFFFAOYSA-N 2 0 227.396 1.378 20 30 BDEDRP C=CCCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420344623 192215618 /nfs/dbraw/zinc/21/56/18/192215618.db2.gz YHHPXOVEQCLLGU-KGLIPLIRSA-N 2 0 238.375 1.781 20 30 BDEDRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C#N)cc1 ZINC000422967504 192530373 /nfs/dbraw/zinc/53/03/73/192530373.db2.gz CCBXBNTXBKXDOU-GHMZBOCLSA-N 2 0 229.327 1.817 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423014969 192540420 /nfs/dbraw/zinc/54/04/20/192540420.db2.gz JRAQNPSVCQPJNW-NILFDRSVSA-N 2 0 246.354 1.905 20 30 BDEDRP C=CCCC[C@@H](C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000398193120 357859350 /nfs/dbraw/zinc/85/93/50/357859350.db2.gz SDYPKTSWMQEWGS-OCCSQVGLSA-N 2 0 240.391 1.776 20 30 BDEDRP C#CCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371198593 134227814 /nfs/dbraw/zinc/22/78/14/134227814.db2.gz OEKIUARXXFQPNB-OAHLLOKOSA-N 2 0 249.402 1.110 20 30 BDEDRP N#CC1(CN2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000611429551 359367255 /nfs/dbraw/zinc/36/72/55/359367255.db2.gz OJHCVJWOSGSHNQ-GFCCVEGCSA-N 2 0 230.315 1.824 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578643294 366612649 /nfs/dbraw/zinc/61/26/49/366612649.db2.gz UCGLCQNVXNHGQB-RVMXOQNASA-N 2 0 221.348 1.928 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090883527 360092708 /nfs/dbraw/zinc/09/27/08/360092708.db2.gz PWLIIGAWEGNJHJ-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003594 360053139 /nfs/dbraw/zinc/05/31/39/360053139.db2.gz BINWZHWAZZMTFO-LBPRGKRZSA-N 2 0 219.332 1.861 20 30 BDEDRP N#CCCNCc1ccc2c[nH+]cn2c1 ZINC000580769665 366900052 /nfs/dbraw/zinc/90/00/52/366900052.db2.gz ZKXKSLWOPBHGSD-UHFFFAOYSA-N 2 0 200.245 1.338 20 30 BDEDRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000600709830 369560010 /nfs/dbraw/zinc/56/00/10/369560010.db2.gz KCBFZXPHGSVYSP-GFCCVEGCSA-N 2 0 247.342 1.445 20 30 BDEDRP CC[C@H]1CN(Cc2ccc(C#N)o2)CC[C@H]1[NH3+] ZINC000600769781 369562584 /nfs/dbraw/zinc/56/25/84/369562584.db2.gz ZWLXJNMSXMRHHN-GXFFZTMASA-N 2 0 233.315 1.710 20 30 BDEDRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C#N ZINC000601326236 369621806 /nfs/dbraw/zinc/62/18/06/369621806.db2.gz KWXNJMYJWXQOTP-IUODEOHRSA-N 2 0 243.354 1.893 20 30 BDEDRP C[C@@H]([NH2+]CCCC#N)C1CC[NH+](C)CC1 ZINC000389646140 371147993 /nfs/dbraw/zinc/14/79/93/371147993.db2.gz SXIJEXJFNYXWEG-LLVKDONJSA-N 2 0 209.337 1.610 20 30 BDEDRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424381643 206039104 /nfs/dbraw/zinc/03/91/04/206039104.db2.gz ZCTZYOYZSTUYOG-QJPTWQEYSA-N 2 0 225.336 1.022 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000424378626 206039643 /nfs/dbraw/zinc/03/96/43/206039643.db2.gz NVSOYXUPKBJQOL-CRWXNKLISA-N 2 0 238.375 1.698 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+]CCCCC#N)CN1C1CC1 ZINC000167263432 206144300 /nfs/dbraw/zinc/14/43/00/206144300.db2.gz FWLYDWNJPGQBIE-NWDGAFQWSA-N 2 0 221.348 1.895 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+]CCCCC#N)CN1C1CC1 ZINC000167263137 206145279 /nfs/dbraw/zinc/14/52/79/206145279.db2.gz FWLYDWNJPGQBIE-NEPJUHHUSA-N 2 0 221.348 1.895 20 30 BDEDRP C#CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374589723 533052554 /nfs/dbraw/zinc/05/25/54/533052554.db2.gz AEELSRAISFGTGW-CQSZACIVSA-N 2 0 249.402 1.110 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000158071712 385338157 /nfs/dbraw/zinc/33/81/57/385338157.db2.gz ZALARKRAEDTXJX-QWHCGFSZSA-N 2 0 233.359 1.897 20 30 BDEDRP CCN(CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309489059 385619257 /nfs/dbraw/zinc/61/92/57/385619257.db2.gz WLLOIJMDBAWMPS-VXGBXAGGSA-N 2 0 221.348 1.753 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798762 385795317 /nfs/dbraw/zinc/79/53/17/385795317.db2.gz WQGLWOAQLDCUQA-MRTXSQPYSA-N 2 0 236.359 1.308 20 30 BDEDRP C=CCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000309175222 385990440 /nfs/dbraw/zinc/99/04/40/385990440.db2.gz BZOPMEPHHRZAPP-ZDUSSCGKSA-N 2 0 226.364 1.389 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423545600 387367645 /nfs/dbraw/zinc/36/76/45/387367645.db2.gz YBQXTYFECBGAKW-UONOGXRCSA-N 2 0 233.359 1.968 20 30 BDEDRP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492958 387336888 /nfs/dbraw/zinc/33/68/88/387336888.db2.gz PCYSAOORYPSAIT-UONOGXRCSA-N 2 0 238.375 1.699 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423498773 387340173 /nfs/dbraw/zinc/34/01/73/387340173.db2.gz CBJPYAHHNDSCTL-RWMBFGLXSA-N 2 0 226.364 1.555 20 30 BDEDRP N#Cc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051692973 387402319 /nfs/dbraw/zinc/40/23/19/387402319.db2.gz UQLBVNGVSJHJMO-UHFFFAOYSA-N 2 0 229.327 1.918 20 30 BDEDRP C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422936786 387782983 /nfs/dbraw/zinc/78/29/83/387782983.db2.gz BVUCHTAUHLTZNM-FOSCPWQOSA-N 2 0 226.389 1.778 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423026551 387842794 /nfs/dbraw/zinc/84/27/94/387842794.db2.gz BMIUMXXCXJMQOL-XQQFMLRXSA-N 2 0 221.348 1.800 20 30 BDEDRP CN(C)c1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1C ZINC000424196373 387922342 /nfs/dbraw/zinc/92/23/42/387922342.db2.gz FUYHFNGKDINCGR-WDEREUQCSA-N 2 0 247.346 1.268 20 30 BDEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424369160 387993528 /nfs/dbraw/zinc/99/35/28/387993528.db2.gz BFKKAZITGIJNSV-YVECIDJPSA-N 2 0 221.348 1.656 20 30 BDEDRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423278252 388060692 /nfs/dbraw/zinc/06/06/92/388060692.db2.gz QLDUTHWXAIDACP-SDDRHHMPSA-N 2 0 209.337 1.642 20 30 BDEDRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423278050 388061023 /nfs/dbraw/zinc/06/10/23/388061023.db2.gz QLDUTHWXAIDACP-IJLUTSLNSA-N 2 0 209.337 1.642 20 30 BDEDRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447603811 388081895 /nfs/dbraw/zinc/08/18/95/388081895.db2.gz XURAQIBZOXFDBS-OLZOCXBDSA-N 2 0 239.363 1.237 20 30 BDEDRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(C#N)cc1 ZINC000037714781 388586841 /nfs/dbraw/zinc/58/68/41/388586841.db2.gz ZXMDOQNJWBOCBD-NSHDSACASA-N 2 0 217.316 1.948 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422994376 388686744 /nfs/dbraw/zinc/68/67/44/388686744.db2.gz VHGONKQNALLWLF-LBPRGKRZSA-N 2 0 247.342 1.654 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985903 388687046 /nfs/dbraw/zinc/68/70/46/388687046.db2.gz AYKHMHCMEBSLKQ-NEPJUHHUSA-N 2 0 247.342 1.652 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423313683 388690691 /nfs/dbraw/zinc/69/06/91/388690691.db2.gz XFASFGQWHBGKEE-ZJUUUORDSA-N 2 0 235.306 1.943 20 30 BDEDRP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172495150 974845720 /nfs/dbraw/zinc/84/57/20/974845720.db2.gz NEFJFUHJAZWLAA-MJBXVCDLSA-N 2 0 235.375 1.952 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000331616339 134000770 /nfs/dbraw/zinc/00/07/70/134000770.db2.gz DSTTYLVEQSCFEX-UMSGYPCISA-N 2 0 221.348 1.928 20 30 BDEDRP C=CC[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357068989 134181874 /nfs/dbraw/zinc/18/18/74/134181874.db2.gz DWVVWADREXNICT-UHFFFAOYSA-N 2 0 234.343 1.650 20 30 BDEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000195522147 134962585 /nfs/dbraw/zinc/96/25/85/134962585.db2.gz CRQXANDVCDJTGQ-UHFFFAOYSA-N 2 0 246.358 1.317 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000264146100 135135510 /nfs/dbraw/zinc/13/55/10/135135510.db2.gz XYQJNHZSFLGWLF-UHFFFAOYSA-N 2 0 226.368 1.055 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341277597 135235791 /nfs/dbraw/zinc/23/57/91/135235791.db2.gz LQRVPOCWMJDBCV-STQMWFEESA-N 2 0 240.391 1.633 20 30 BDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000262004430 135271262 /nfs/dbraw/zinc/27/12/62/135271262.db2.gz QXIOXPCTLOQPPT-NSHDSACASA-N 2 0 247.346 1.148 20 30 BDEDRP CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262784168 135318155 /nfs/dbraw/zinc/31/81/55/135318155.db2.gz JKQNDYCAENILIE-GRYCIOLGSA-N 2 0 238.379 1.174 20 30 BDEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323991 409638913 /nfs/dbraw/zinc/63/89/13/409638913.db2.gz RUBVTZVXDOXLFR-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400931236 411163749 /nfs/dbraw/zinc/16/37/49/411163749.db2.gz ONAOGOAKFRSNAZ-JHJVBQTASA-N 2 0 208.349 1.930 20 30 BDEDRP C=C(CC)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400952342 411166703 /nfs/dbraw/zinc/16/67/03/411166703.db2.gz XHRJRSBTKLXUJI-JHJVBQTASA-N 2 0 208.349 1.930 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000658210577 411295404 /nfs/dbraw/zinc/29/54/04/411295404.db2.gz UQNFTEKTYPPZOY-KGLIPLIRSA-N 2 0 240.391 1.899 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309940011 170017191 /nfs/dbraw/zinc/01/71/91/170017191.db2.gz BJSYWJPDITXCPZ-JHJVBQTASA-N 2 0 221.348 1.610 20 30 BDEDRP C=CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662278896 412071708 /nfs/dbraw/zinc/07/17/08/412071708.db2.gz CCBTVSBCUQGFNH-GFCCVEGCSA-N 2 0 222.332 1.158 20 30 BDEDRP C=CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662298467 412085324 /nfs/dbraw/zinc/08/53/24/412085324.db2.gz CVXHLVZTPYCGOC-ZDUSSCGKSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322139 412099913 /nfs/dbraw/zinc/09/99/13/412099913.db2.gz URQKYMXDDVNRKX-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665263146 412205121 /nfs/dbraw/zinc/20/51/21/412205121.db2.gz GTKZVDRVOZARAK-WDEREUQCSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665263377 412206320 /nfs/dbraw/zinc/20/63/20/412206320.db2.gz LMASVDBTUHDFMT-RYUDHWBXSA-N 2 0 212.337 1.439 20 30 BDEDRP C[NH2+]CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000063158981 173338673 /nfs/dbraw/zinc/33/86/73/173338673.db2.gz GSECZRAXVGLYSK-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP N#Cc1cccc(CN2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313340894 326263551 /nfs/dbraw/zinc/26/35/51/326263551.db2.gz AWPYAWOFYSMVFX-AWEZNQCLSA-N 2 0 245.326 1.108 20 30 BDEDRP C(#Cc1ccccc1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322379 491124307 /nfs/dbraw/zinc/12/43/07/491124307.db2.gz UTHKHTCRWODMHN-GASCZTMLSA-N 2 0 226.323 1.189 20 30 BDEDRP C#CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953668 526936604 /nfs/dbraw/zinc/93/66/04/526936604.db2.gz AGJDSQNDPAIXCG-UHFFFAOYSA-N 2 0 236.359 1.196 20 30 BDEDRP CC(C)[N@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000848987622 582818846 /nfs/dbraw/zinc/81/88/46/582818846.db2.gz LEMKVYJAQSFGGR-UHFFFAOYSA-N 2 0 228.384 1.196 20 30 BDEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NC(C)C ZINC000104191492 583162841 /nfs/dbraw/zinc/16/28/41/583162841.db2.gz LKOYMQSZZLTAND-JTQLQIEISA-N 2 0 214.357 1.029 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000896035025 583764578 /nfs/dbraw/zinc/76/45/78/583764578.db2.gz MSLAPPSHIRVBCN-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccncc1C ZINC000900618933 584332836 /nfs/dbraw/zinc/33/28/36/584332836.db2.gz LDFIZXCASVDEEI-UHFFFAOYSA-N 2 0 233.315 1.258 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375889 584567782 /nfs/dbraw/zinc/56/77/82/584567782.db2.gz YYLFRSZSWCQDSZ-RYUDHWBXSA-N 2 0 226.364 1.291 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902364068 584573299 /nfs/dbraw/zinc/57/32/99/584573299.db2.gz YRVLIFJLXOXVLN-ZDUSSCGKSA-N 2 0 240.391 1.947 20 30 BDEDRP C[C@@]1(C[NH3+])CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903453072 584773022 /nfs/dbraw/zinc/77/30/22/584773022.db2.gz YEAOUKOJSKOROB-RUXDESIVSA-N 2 0 235.375 1.987 20 30 BDEDRP N#C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000903563431 584782544 /nfs/dbraw/zinc/78/25/44/584782544.db2.gz CLVUJRJKTSOTJT-OLZOCXBDSA-N 2 0 221.348 1.612 20 30 BDEDRP C=CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815549 584800677 /nfs/dbraw/zinc/80/06/77/584800677.db2.gz RNCHMGHYMVJMQW-UHFFFAOYSA-N 2 0 210.321 1.017 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000903968178 584835246 /nfs/dbraw/zinc/83/52/46/584835246.db2.gz RHVKPKRPWOBVCG-RISCZKNCSA-N 2 0 229.327 1.503 20 30 BDEDRP C#CCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000760842711 585399412 /nfs/dbraw/zinc/39/94/12/585399412.db2.gz ILPUXNBIQGDZKI-AWEZNQCLSA-N 2 0 238.375 1.442 20 30 BDEDRP C#CCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000766905434 585511207 /nfs/dbraw/zinc/51/12/07/585511207.db2.gz LYRXCOCDLLZPGO-CYBMUJFWSA-N 2 0 208.349 1.673 20 30 BDEDRP C#C[C@@H](C)[NH+](C)C/C=C\C[N@@H+](C)[C@@H](C)C#C ZINC000769963564 585568023 /nfs/dbraw/zinc/56/80/23/585568023.db2.gz WARNIEGWYSMJLH-BXIWVINRSA-N 2 0 218.344 1.450 20 30 BDEDRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1C#N ZINC000817916004 586839102 /nfs/dbraw/zinc/83/91/02/586839102.db2.gz UAJHPILKFJMFRF-GHMZBOCLSA-N 2 0 247.342 1.782 20 30 BDEDRP C#C[C@@H](CC)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000825878411 587343544 /nfs/dbraw/zinc/34/35/44/587343544.db2.gz MVULZNGFNGUWGO-LBPRGKRZSA-N 2 0 240.310 1.769 20 30 BDEDRP C=CCNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987794 588426195 /nfs/dbraw/zinc/42/61/95/588426195.db2.gz BTPMJHUSKVISDA-UHFFFAOYSA-N 2 0 238.379 1.551 20 30 BDEDRP C[C@@H](CCNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000849018355 588437727 /nfs/dbraw/zinc/43/77/27/588437727.db2.gz MSBFZWPZMZBETA-LBPRGKRZSA-N 2 0 238.379 1.142 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041354 588447858 /nfs/dbraw/zinc/44/78/58/588447858.db2.gz QPOBEJUQSAREQI-GFCCVEGCSA-N 2 0 238.379 1.408 20 30 BDEDRP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000851848220 588634584 /nfs/dbraw/zinc/63/45/84/588634584.db2.gz ZVKWYJIDZQHMIP-KGLIPLIRSA-N 2 0 238.375 1.298 20 30 BDEDRP N#Cc1ccc(CC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000852743892 588699246 /nfs/dbraw/zinc/69/92/46/588699246.db2.gz NFSHRFNCWGPPFP-HNNXBMFYSA-N 2 0 243.354 1.771 20 30 BDEDRP CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203485014 589245348 /nfs/dbraw/zinc/24/53/48/589245348.db2.gz SJKLXDKELHPPHL-PWSUYJOCSA-N 2 0 226.368 1.031 20 30 BDEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[NH2+]C1 ZINC000866698460 589513098 /nfs/dbraw/zinc/51/30/98/589513098.db2.gz VQEURXGKOXINAX-OAHLLOKOSA-N 2 0 243.354 1.642 20 30 BDEDRP C#CC[N@H+](C)CCCNc1cc[nH+]cc1C1CC1 ZINC000872554760 589949601 /nfs/dbraw/zinc/94/96/01/589949601.db2.gz YHGWOSNKAQQRRG-UHFFFAOYSA-N 2 0 243.354 1.748 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000873251897 590008963 /nfs/dbraw/zinc/00/89/63/590008963.db2.gz YDHDIUHVXFPCIC-OSAQELSMSA-N 2 0 241.338 1.872 20 30 BDEDRP N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873251700 590009083 /nfs/dbraw/zinc/00/90/83/590009083.db2.gz NNYOSMYNLBSRBK-YFKTTZPYSA-N 2 0 207.321 1.396 20 30 BDEDRP C#CCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877070301 590277627 /nfs/dbraw/zinc/27/76/27/590277627.db2.gz NFGFPLZUCQTECK-UHFFFAOYSA-N 2 0 238.375 1.225 20 30 BDEDRP C#CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743200 590617932 /nfs/dbraw/zinc/61/79/32/590617932.db2.gz BHFMTXPHAKCVEB-UHFFFAOYSA-N 2 0 215.300 1.227 20 30 BDEDRP C#CCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864036 590634550 /nfs/dbraw/zinc/63/45/50/590634550.db2.gz NKZQKRZMRXTMIW-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP C#CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878867662 590636881 /nfs/dbraw/zinc/63/68/81/590636881.db2.gz VTLYLDWOKRWFJS-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001053 590674081 /nfs/dbraw/zinc/67/40/81/590674081.db2.gz OEMIARWSXBPHDK-KBPBESRZSA-N 2 0 240.391 1.994 20 30 BDEDRP C#CC[N@@H+](C)CCCNc1ccnc(CC)n1 ZINC000884516139 591963377 /nfs/dbraw/zinc/96/33/77/591963377.db2.gz CFJYTGRHKMYOHP-UHFFFAOYSA-N 2 0 232.331 1.406 20 30 BDEDRP C[NH+](CCC#N)[C@H]1CC[C@H]([N@H+](C)CCC#N)CC1 ZINC000886394120 592222941 /nfs/dbraw/zinc/22/29/41/592222941.db2.gz RJXOLUXGPAZAHA-HDJSIYSDSA-N 2 0 248.374 1.989 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000104168130 634529976 /nfs/dbraw/zinc/52/99/76/634529976.db2.gz XWLKYONSTQZKJP-LLVKDONJSA-N 2 0 226.368 1.175 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(CC)CC)C1 ZINC000104179658 634588400 /nfs/dbraw/zinc/58/84/00/634588400.db2.gz KTBUYJUXXHPNTP-LBPRGKRZSA-N 2 0 240.395 1.375 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000309501003 632416347 /nfs/dbraw/zinc/41/63/47/632416347.db2.gz LPBXDBNMQPLVIU-VIFPVBQESA-N 2 0 214.357 1.077 20 30 BDEDRP CNC(NC[C@@H](CC(C)C)[NH+]1CCCC1)=[NH+]C ZINC000066245096 632859760 /nfs/dbraw/zinc/85/97/60/632859760.db2.gz CONRZCNTQLDPCI-GFCCVEGCSA-N 2 0 240.395 1.292 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@H+](CC)CCC ZINC000083052910 636733913 /nfs/dbraw/zinc/73/39/13/636733913.db2.gz GYJBUZZPRPAEFM-UHFFFAOYSA-N 2 0 214.357 1.033 20 30 BDEDRP C=CCOc1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906508716 638181805 /nfs/dbraw/zinc/18/18/05/638181805.db2.gz WKELCSSYNMZHEJ-UHFFFAOYSA-N 2 0 232.327 1.831 20 30 BDEDRP C=C(Cl)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931431325 640199586 /nfs/dbraw/zinc/19/95/86/640199586.db2.gz KTGSOFCVBXXEHT-MNOVXSKESA-N 2 0 214.740 1.622 20 30 BDEDRP CC[C@H](CC#N)[NH2+]CC1CC[NH+](C)CC1 ZINC000044518179 640398833 /nfs/dbraw/zinc/39/88/33/640398833.db2.gz HHVUWHIBYOTHNG-GFCCVEGCSA-N 2 0 209.337 1.610 20 30 BDEDRP C#CCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000224312152 640610609 /nfs/dbraw/zinc/61/06/09/640610609.db2.gz CKWNUCMVSPCWCL-LBPRGKRZSA-N 2 0 208.349 1.720 20 30 BDEDRP C=CCCOCC[NH2+]C1CCC([NH3+])CC1 ZINC000231801645 641206064 /nfs/dbraw/zinc/20/60/64/641206064.db2.gz NEZHWHXFBIBBOP-UHFFFAOYSA-N 2 0 212.337 1.439 20 30 BDEDRP CNC(NCC[C@H](C)[NH+]1CCCCC1)=[NH+]C ZINC000305806592 642702089 /nfs/dbraw/zinc/70/20/89/642702089.db2.gz GSHCVMHMCRCYQA-NSHDSACASA-N 2 0 226.368 1.046 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000923294192 644329868 /nfs/dbraw/zinc/32/98/68/644329868.db2.gz FGGLLJHLBKMGEJ-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294946 644333549 /nfs/dbraw/zinc/33/35/49/644333549.db2.gz QWVICDXAUWMWHH-WXRRBKDZSA-N 2 0 226.364 1.515 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358547 644367419 /nfs/dbraw/zinc/36/74/19/644367419.db2.gz IMABKPGYHVADFV-CYBMUJFWSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923352829 644369311 /nfs/dbraw/zinc/36/93/11/644369311.db2.gz FUWJXMXTIIIZDY-CHWSQXEVSA-N 2 0 226.364 1.517 20 30 BDEDRP C=CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923375836 644389453 /nfs/dbraw/zinc/38/94/53/644389453.db2.gz GQBUYMBCJGXRTD-GFCCVEGCSA-N 2 0 222.332 1.015 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000923423407 644420166 /nfs/dbraw/zinc/42/01/66/644420166.db2.gz QRXWAAWSHXCGMX-CYBMUJFWSA-N 2 0 240.391 1.907 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492940 644468904 /nfs/dbraw/zinc/46/89/04/644468904.db2.gz ZPQKZWGJDDYHHH-QWHCGFSZSA-N 2 0 243.354 1.975 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303724487 644841954 /nfs/dbraw/zinc/84/19/54/644841954.db2.gz ZQQCAMYRTPJFAH-UHFFFAOYSA-N 2 0 240.395 1.586 20 30 BDEDRP CCCCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303781563 644846343 /nfs/dbraw/zinc/84/63/43/644846343.db2.gz MKJHNMYRBGEHPN-UHFFFAOYSA-N 2 0 226.368 1.177 20 30 BDEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000303895176 644856050 /nfs/dbraw/zinc/85/60/50/644856050.db2.gz TUUTVORFJYOHEK-JTQLQIEISA-N 2 0 226.368 1.029 20 30 BDEDRP CC[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000303898503 644856751 /nfs/dbraw/zinc/85/67/51/644856751.db2.gz QZPIDIGOXCPGCQ-LLVKDONJSA-N 2 0 240.395 1.564 20 30 BDEDRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC#N)C[C@@H]1C ZINC000929779743 646310114 /nfs/dbraw/zinc/31/01/14/646310114.db2.gz IISMKSXGLPIBMF-RWMBFGLXSA-N 2 0 239.363 1.066 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925654676 646394997 /nfs/dbraw/zinc/39/49/97/646394997.db2.gz HHNXRSLDEMXOMV-AVGNSLFASA-N 2 0 238.375 1.698 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925657258 646395049 /nfs/dbraw/zinc/39/50/49/646395049.db2.gz RRAIOIIUJWGEBV-WDEREUQCSA-N 2 0 219.332 1.540 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697553 646422199 /nfs/dbraw/zinc/42/21/99/646422199.db2.gz XWWIGEOBLCLZGS-QWRGUYRKSA-N 2 0 221.348 1.786 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925769851 646470374 /nfs/dbraw/zinc/47/03/74/646470374.db2.gz GCRGFXQDKUAVBG-FRRDWIJNSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000715051870 712505268 /nfs/dbraw/zinc/50/52/68/712505268.db2.gz FHOGEZBMCIMYBC-RWMBFGLXSA-N 2 0 208.349 1.882 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000716853492 712578623 /nfs/dbraw/zinc/57/86/23/712578623.db2.gz AGSFFHGJIXVZNT-MCIONIFRSA-N 2 0 236.359 1.241 20 30 BDEDRP C=CC(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385225376 711009076 /nfs/dbraw/zinc/00/90/76/711009076.db2.gz SFTIRJATOGAGDO-OBPIAQAESA-N 2 0 220.360 1.785 20 30 BDEDRP C[NH+]1CCC(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170912075 711837864 /nfs/dbraw/zinc/83/78/64/711837864.db2.gz JNNIGIMPNAZFIH-UHFFFAOYSA-N 2 0 247.346 1.150 20 30 BDEDRP C#C[C@](C)(CC)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000692596172 960334189 /nfs/dbraw/zinc/33/41/89/960334189.db2.gz VSUMNCXXYBLROW-CHWSQXEVSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984623 967927819 /nfs/dbraw/zinc/92/78/19/967927819.db2.gz SPSVSIIRVWETNP-CHWSQXEVSA-N 2 0 225.380 1.069 20 30 BDEDRP N#CC[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207437506 968770558 /nfs/dbraw/zinc/77/05/58/968770558.db2.gz JEPVXPIEKZXCJH-LBPRGKRZSA-N 2 0 221.348 1.612 20 30 BDEDRP C#C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256628398 970895504 /nfs/dbraw/zinc/89/55/04/970895504.db2.gz FERHTDZTIJYSPX-RDGKXADDSA-N 2 0 232.371 1.957 20 30 BDEDRP C=CC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683156 970922407 /nfs/dbraw/zinc/92/24/07/970922407.db2.gz UHNJWLXWNLLZBH-UHFFFAOYSA-N 2 0 224.348 1.405 20 30 BDEDRP C#CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172111141 974372661 /nfs/dbraw/zinc/37/26/61/974372661.db2.gz QJYAYAOFFDHWRI-XYYAHUGASA-N 2 0 206.333 1.615 20 30 BDEDRP N#Cc1ccc(N[C@H]([NH3+])CCC[NH3+])c2cc[nH]c21 ZINC001170899424 972061597 /nfs/dbraw/zinc/06/15/97/972061597.db2.gz BUZCUMNLGRKQFZ-LBPRGKRZSA-N 2 0 243.314 1.475 20 30 BDEDRP N#CCc1cc(F)cc(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170903855 972078311 /nfs/dbraw/zinc/07/83/11/972078311.db2.gz LZKDWGKLEJMZKB-LBPRGKRZSA-N 2 0 236.294 1.327 20 30 BDEDRP C#CCCC1(CC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)N=N1 ZINC001246511165 972370096 /nfs/dbraw/zinc/37/00/96/972370096.db2.gz AEZRTMVMFVDFQL-VXGBXAGGSA-N 2 0 234.347 1.682 20 30 BDEDRP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000300860861 958978864 /nfs/dbraw/zinc/97/88/64/958978864.db2.gz GLEQZXNUAJPNLT-GSPSYOTPSA-N 2 0 220.360 1.859 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259182 972427882 /nfs/dbraw/zinc/42/78/82/972427882.db2.gz LUSLGSJMIUADBX-AWEZNQCLSA-N 2 0 237.391 1.228 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCc1cccc(C[NH3+])c1 ZINC001217833661 959628748 /nfs/dbraw/zinc/62/87/48/959628748.db2.gz ZBPZLNFLAIIPAV-CQSZACIVSA-N 2 0 232.327 1.580 20 30 BDEDRP N#Cc1ccc(F)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167880190 961451423 /nfs/dbraw/zinc/45/14/23/961451423.db2.gz BIDRXMIKGXNZRG-UHFFFAOYSA-N 2 0 249.293 1.373 20 30 BDEDRP C=CC(N[C@@H]1CCC[C@@H]([NH3+])C1)=[NH+]COC ZINC001162391528 964952027 /nfs/dbraw/zinc/95/20/27/964952027.db2.gz BMMFVPXVGCRVIJ-NXEZZACHSA-N 2 0 211.309 1.034 20 30 BDEDRP C=C(C)CC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165800754 966158926 /nfs/dbraw/zinc/15/89/26/966158926.db2.gz FICAVXMIGFCWEC-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP Cn1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1C#N ZINC001205263875 967457613 /nfs/dbraw/zinc/45/76/13/967457613.db2.gz DOGIASGFRSGBID-CQSZACIVSA-N 2 0 246.358 1.600 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)nc1 ZINC001205047257 967620528 /nfs/dbraw/zinc/62/05/28/967620528.db2.gz SHQNDUKZLFCYFE-UHFFFAOYSA-N 2 0 230.315 1.124 20 30 BDEDRP C=C(C)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168756466 967859120 /nfs/dbraw/zinc/85/91/20/967859120.db2.gz ZMNOLLUJTCPLPB-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205984612 967930764 /nfs/dbraw/zinc/93/07/64/967930764.db2.gz SNZLTWXLRQFZEV-CHWSQXEVSA-N 2 0 208.349 1.707 20 30 BDEDRP C=C[C@@](C)(O)C[N@H+](CCC)CCC[NH+](C)C ZINC001252558648 968795300 /nfs/dbraw/zinc/79/53/00/968795300.db2.gz YSPYSGAVZQDRCG-CYBMUJFWSA-N 2 0 228.380 1.587 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252614000 968870359 /nfs/dbraw/zinc/87/03/59/968870359.db2.gz FATQMFKCWVBBLY-KGLIPLIRSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252620550 968880843 /nfs/dbraw/zinc/88/08/43/968880843.db2.gz WOJZROHMXXVXDI-MJBXVCDLSA-N 2 0 240.391 1.776 20 30 BDEDRP C#C[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526617 969717011 /nfs/dbraw/zinc/71/70/11/969717011.db2.gz RYABGCDAYLVLON-KBPBESRZSA-N 2 0 220.360 1.816 20 30 BDEDRP CCC[N@H+](CCC[NH3+])[C@H]1CC[C@H](C#N)C1 ZINC001254636383 969754445 /nfs/dbraw/zinc/75/44/45/969754445.db2.gz KSNJZDVHMURSPB-RYUDHWBXSA-N 2 0 209.337 1.739 20 30 BDEDRP C[NH+](C)CCC(C)(C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254643498 969758503 /nfs/dbraw/zinc/75/85/03/969758503.db2.gz LLQXEBXQZRJAAH-RYUDHWBXSA-N 2 0 223.364 1.999 20 30 BDEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254678994 969783745 /nfs/dbraw/zinc/78/37/45/969783745.db2.gz JHOABRATLJUZEM-IGQOVBAYSA-N 2 0 233.359 1.562 20 30 BDEDRP C[Si](C)(C)C#C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001169795179 969861660 /nfs/dbraw/zinc/86/16/60/969861660.db2.gz KLLAWQKNLCFVKF-UHFFFAOYSA-N 2 0 236.435 1.900 20 30 BDEDRP C[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001256196286 970690217 /nfs/dbraw/zinc/69/02/17/970690217.db2.gz GVXMTCYKKMNUEC-UHFFFAOYSA-N 2 0 236.294 1.020 20 30 BDEDRP CC1(C#N)CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246854966 973165767 /nfs/dbraw/zinc/16/57/67/973165767.db2.gz RRAFCPXBAWJHTP-BLYZHGLHSA-N 2 0 233.359 1.882 20 30 BDEDRP N#CC1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246862770 973184774 /nfs/dbraw/zinc/18/47/74/973184774.db2.gz RIIGEZHUAOYVIK-KPFVRQRISA-N 2 0 219.332 1.492 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)N1CCC[C@@H]1C[NH3+] ZINC001246906965 973398927 /nfs/dbraw/zinc/39/89/27/973398927.db2.gz DMZYDWNANOOFSD-IUODEOHRSA-N 2 0 243.354 1.912 20 30 BDEDRP N#CCc1cc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171335122 973866059 /nfs/dbraw/zinc/86/60/59/973866059.db2.gz LWSNYMNJUKUEKE-ZDUSSCGKSA-N 2 0 230.315 1.124 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172478806 974776501 /nfs/dbraw/zinc/77/65/01/974776501.db2.gz DSKDVZASMVYJEY-SDDRHHMPSA-N 2 0 209.337 1.928 20 30 BDEDRP C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC001332009528 974917686 /nfs/dbraw/zinc/91/76/86/974917686.db2.gz HIMKEIPRUVVVNU-WOPDTQHZSA-N 2 0 209.337 1.608 20 30 BDEDRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC#N ZINC001277948552 979051959 /nfs/dbraw/zinc/05/19/59/979051959.db2.gz KYTUBOXQTKPNJR-YHWZYXNKSA-N 2 0 221.348 1.895 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] ZINC001343486499 980127195 /nfs/dbraw/zinc/12/71/95/980127195.db2.gz JNGIRBXGHWSGDU-NWDGAFQWSA-N 2 0 243.395 1.528 20 30 BDEDRP C=CCCC[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001274964712 984426493 /nfs/dbraw/zinc/42/64/93/984426493.db2.gz VUUZFYXAQXKGML-UHFFFAOYSA-N 2 0 237.391 1.132 20 30 BDEDRP C#CCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275975811 984756019 /nfs/dbraw/zinc/75/60/19/984756019.db2.gz PGDZEUCPJZLAFI-OKILXGFUSA-N 2 0 220.360 1.673 20 30 BDEDRP C[N@H+](CCOCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000687776664 985379776 /nfs/dbraw/zinc/37/97/76/985379776.db2.gz JPIWFJMBQOZNJN-ZDUSSCGKSA-N 2 0 239.363 1.190 20 30 BDEDRP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)ccc1C#N ZINC001579154155 985815847 /nfs/dbraw/zinc/81/58/47/985815847.db2.gz VLOMTVPLKKTSCE-TXEJJXNPSA-N 2 0 231.299 1.146 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001579459520 985955230 /nfs/dbraw/zinc/95/52/30/985955230.db2.gz FUCRQQGROWYPFH-WISYIIOYSA-N 2 0 207.321 1.124 20 30 BDEDRP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001579474199 985981247 /nfs/dbraw/zinc/98/12/47/985981247.db2.gz ZUCXXEYAQXXANM-LOWDOPEQSA-N 2 0 219.332 1.220 20 30 BDEDRP N#CCC1(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001580047788 986474450 /nfs/dbraw/zinc/47/44/50/986474450.db2.gz ORYCDVZSCOPEFY-NEPJUHHUSA-N 2 0 219.332 1.222 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000381761854 986738399 /nfs/dbraw/zinc/73/83/99/986738399.db2.gz UCSFMMVIDDZGNY-RWMBFGLXSA-N 2 0 221.348 1.753 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245979191 987260365 /nfs/dbraw/zinc/26/03/65/987260365.db2.gz IQYQOVNGMWFNTQ-OLZOCXBDSA-N 2 0 238.375 1.435 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246018140 987301376 /nfs/dbraw/zinc/30/13/76/987301376.db2.gz AGLLFEJLHUABTK-STQMWFEESA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246018728 987305094 /nfs/dbraw/zinc/30/50/94/987305094.db2.gz FTFSYQWAPFABIL-WDEREUQCSA-N 2 0 248.317 1.229 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021575 987308819 /nfs/dbraw/zinc/30/88/19/987308819.db2.gz KQTOBTUQYMICQC-MJBXVCDLSA-N 2 0 240.391 1.620 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025295 987321120 /nfs/dbraw/zinc/32/11/20/987321120.db2.gz VZIWGMFPBSCQPW-VXGBXAGGSA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246035179 987335671 /nfs/dbraw/zinc/33/56/71/987335671.db2.gz YQYBLXRNLJQANB-QJPTWQEYSA-N 2 0 230.327 1.075 20 30 BDEDRP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[NH2+]1 ZINC001246205289 987603399 /nfs/dbraw/zinc/60/33/99/987603399.db2.gz LIEKZXQVSVGKLW-CYDGBPFRSA-N 2 0 221.348 1.799 20 30 BDEDRP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246262143 987655271 /nfs/dbraw/zinc/65/52/71/987655271.db2.gz AFEWDURHAHWNPN-WFASDCNBSA-N 2 0 228.339 1.898 20 30 BDEDRP CCCCCCCCN(CC[NH3+])[C@H]1CC[NH2+]C1 ZINC001246312398 987716635 /nfs/dbraw/zinc/71/66/35/987716635.db2.gz VUPSFVFKICRMAV-AWEZNQCLSA-N 2 0 241.423 1.970 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246364935 987772483 /nfs/dbraw/zinc/77/24/83/987772483.db2.gz VKACSUJLFXVTHB-MCIONIFRSA-N 2 0 237.391 1.367 20 30 BDEDRP C=CCOC1CCC([NH2+][C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445267 987802166 /nfs/dbraw/zinc/80/21/66/987802166.db2.gz NJXHTSOGPVGVNP-WXRRBKDZSA-N 2 0 236.359 1.452 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474668 987832863 /nfs/dbraw/zinc/83/28/63/987832863.db2.gz AIZPDHVHRWPGKX-BJDJZHNGSA-N 2 0 225.311 1.216 20 30 BDEDRP N#C[C@@H]1CC[C@@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609049 988233948 /nfs/dbraw/zinc/23/39/48/988233948.db2.gz KNQZPKMGECGEPF-MGPQQGTHSA-N 2 0 233.359 1.897 20 30 BDEDRP C#C[C@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837919 988536640 /nfs/dbraw/zinc/53/66/40/988536640.db2.gz WZDDCYFFXDDOEU-AGIUHOORSA-N 2 0 206.333 1.472 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122065463 990214371 /nfs/dbraw/zinc/21/43/71/990214371.db2.gz JTOBPRHGPNLMAH-LLVKDONJSA-N 2 0 239.363 1.058 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC001574960700 992948219 /nfs/dbraw/zinc/94/82/19/992948219.db2.gz UEQNYGRYGANUOY-BJDJZHNGSA-N 2 0 224.348 1.293 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001574960706 992950075 /nfs/dbraw/zinc/95/00/75/992950075.db2.gz UEQNYGRYGANUOY-NNYUYHANSA-N 2 0 224.348 1.293 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC001263109948 993121142 /nfs/dbraw/zinc/12/11/42/993121142.db2.gz KIMJWABDLKTEHO-NSHDSACASA-N 2 0 239.363 1.010 20 30 BDEDRP C=CCCC[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000379802745 993281956 /nfs/dbraw/zinc/28/19/56/993281956.db2.gz KWRHFPIAHRPYRX-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C[NH3+] ZINC001576807803 993430198 /nfs/dbraw/zinc/43/01/98/993430198.db2.gz VSCNKQGCWFPJAM-WCQYABFASA-N 2 0 244.342 1.370 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000389910111 993768195 /nfs/dbraw/zinc/76/81/95/993768195.db2.gz JGRODRLNJUTLDQ-LBPRGKRZSA-N 2 0 209.337 1.754 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423019712 398161018 /nfs/dbraw/zinc/16/10/18/398161018.db2.gz WVTLAPWSNMQORG-JHJVBQTASA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@H](CCC#N)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000602493884 349572918 /nfs/dbraw/zinc/57/29/18/349572918.db2.gz MTMKWHGNXKBTAI-WOPDTQHZSA-N 2 0 207.321 1.077 20 30 BDEDRP N#CCc1cccc2c1CCN(CCC[NH3+])C2 ZINC000600749039 344368321 /nfs/dbraw/zinc/36/83/21/344368321.db2.gz GJRBEBLPHULRGC-UHFFFAOYSA-N 2 0 229.327 1.460 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000156475783 345162864 /nfs/dbraw/zinc/16/28/64/345162864.db2.gz MMRXMLZAHUQEPP-ZIAGYGMSSA-N 2 0 220.360 1.816 20 30 BDEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000594512085 348061167 /nfs/dbraw/zinc/06/11/67/348061167.db2.gz TUCVYVZQXVMLNF-XDQVBPFNSA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955714 348149115 /nfs/dbraw/zinc/14/91/15/348149115.db2.gz SPSNBFJGSGEZFO-SWLSCSKDSA-N 2 0 243.354 1.640 20 30 BDEDRP CC#CCN1CCN(c2cc(OC)ccn2)CC1 ZINC000119055273 348199992 /nfs/dbraw/zinc/19/99/92/348199992.db2.gz YYQNJGAVRKYEEQ-UHFFFAOYSA-N 2 0 245.326 1.236 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491371 362916648 /nfs/dbraw/zinc/91/66/48/362916648.db2.gz RCFAYNYCZPZODY-VXGBXAGGSA-N 2 0 226.364 1.386 20 30 BDEDRP N#Cc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000382577433 350883554 /nfs/dbraw/zinc/88/35/54/350883554.db2.gz BNMFCAMVQXOOIU-UHFFFAOYSA-N 2 0 229.327 1.790 20 30 BDEDRP C=CC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638608655 352447784 /nfs/dbraw/zinc/44/77/84/352447784.db2.gz GQTWKALZRLOPDG-LBPRGKRZSA-N 2 0 240.391 1.776 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214592 354607698 /nfs/dbraw/zinc/60/76/98/354607698.db2.gz OEVODFGXAHCWNZ-ZIAGYGMSSA-N 2 0 229.327 1.918 20 30 BDEDRP N#CCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000399279801 355903738 /nfs/dbraw/zinc/90/37/38/355903738.db2.gz WYULBRMPLZTODS-GASCZTMLSA-N 2 0 241.338 1.404 20 30 BDEDRP C=C(Cl)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000167720407 134153594 /nfs/dbraw/zinc/15/35/94/134153594.db2.gz KOWUWOYXDHGTHS-FGWVZKOKSA-N 2 0 214.740 1.954 20 30 BDEDRP C=CC[N@@H+](CCOCC[NH3+])Cc1cccs1 ZINC000357024480 134181607 /nfs/dbraw/zinc/18/16/07/134181607.db2.gz DWMMHSFEESIDIW-UHFFFAOYSA-N 2 0 240.372 1.711 20 30 BDEDRP C#CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000362804744 134214220 /nfs/dbraw/zinc/21/42/20/134214220.db2.gz FWLUYGGSFJLOJJ-AWEZNQCLSA-N 2 0 220.360 1.818 20 30 BDEDRP C=CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902807 134241208 /nfs/dbraw/zinc/24/12/08/134241208.db2.gz GPSHWMZSQTZAKG-AWEZNQCLSA-N 2 0 237.391 1.273 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000305069532 134239945 /nfs/dbraw/zinc/23/99/45/134239945.db2.gz IXNVXLYSXTUDCI-KBPBESRZSA-N 2 0 240.391 1.587 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000219317830 134281328 /nfs/dbraw/zinc/28/13/28/134281328.db2.gz WSDQRIIEJFPMJD-GFCCVEGCSA-N 2 0 214.353 1.509 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090883528 360092812 /nfs/dbraw/zinc/09/28/12/360092812.db2.gz PWLIIGAWEGNJHJ-ZIAGYGMSSA-N 2 0 240.391 1.899 20 30 BDEDRP C[N@H+](CCCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000152365353 201197988 /nfs/dbraw/zinc/19/79/88/201197988.db2.gz YLBIPOGBOGCZTE-CYBMUJFWSA-N 2 0 223.364 1.954 20 30 BDEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000079909559 370703485 /nfs/dbraw/zinc/70/34/85/370703485.db2.gz MWRDUAWHYGLODF-TUKIKUTGSA-N 2 0 241.338 1.770 20 30 BDEDRP Cc1ccc(CN2CCC([NH3+])CC2)cc1C#N ZINC000600705597 369559504 /nfs/dbraw/zinc/55/95/04/369559504.db2.gz SGSSCELNFJQDPW-UHFFFAOYSA-N 2 0 229.327 1.790 20 30 BDEDRP CC[NH2+]CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000600768376 369562382 /nfs/dbraw/zinc/56/23/82/369562382.db2.gz ISTNPSHYDPZTAI-UHFFFAOYSA-N 2 0 247.342 1.973 20 30 BDEDRP C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)o2)C[C@@H]1C[NH3+] ZINC000600767391 369562686 /nfs/dbraw/zinc/56/26/86/369562686.db2.gz ASJRRYOQAPCIHA-UTUOFQBUSA-N 2 0 247.342 1.956 20 30 BDEDRP N#Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)o1 ZINC000600770225 369566334 /nfs/dbraw/zinc/56/63/34/369566334.db2.gz WUXABYFVZIKSSG-UHFFFAOYSA-N 2 0 219.288 1.370 20 30 BDEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC#N)[C@H](C)C1 ZINC000174777678 384363497 /nfs/dbraw/zinc/36/34/97/384363497.db2.gz OWCKBMCTAHEEJW-OLZOCXBDSA-N 2 0 223.364 1.952 20 30 BDEDRP C=C(C)COCC[NH2+][C@H](C)CCC[NH3+] ZINC000308658582 384902825 /nfs/dbraw/zinc/90/28/25/384902825.db2.gz ORBTYFFSKYHULX-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP CC[NH+]1CCC([NH2+]CCCCC#N)CC1 ZINC000309046248 385389719 /nfs/dbraw/zinc/38/97/19/385389719.db2.gz OUBQTJMVVMKBKA-UHFFFAOYSA-N 2 0 209.337 1.754 20 30 BDEDRP C#CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313533 533152448 /nfs/dbraw/zinc/15/24/48/533152448.db2.gz AQKGTMCVSQWDAY-CYBMUJFWSA-N 2 0 232.371 1.816 20 30 BDEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414169161 386016147 /nfs/dbraw/zinc/01/61/47/386016147.db2.gz ROGSOVNGSJSGSC-VXGBXAGGSA-N 2 0 223.364 1.856 20 30 BDEDRP C=CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334969102 387052586 /nfs/dbraw/zinc/05/25/86/387052586.db2.gz NUSMDRCKQPLHPJ-CHWSQXEVSA-N 2 0 224.348 1.391 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357163 387206868 /nfs/dbraw/zinc/20/68/68/387206868.db2.gz HVWCBLIBTKDGQC-UPJWGTAASA-N 2 0 221.348 1.800 20 30 BDEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423408989 387246609 /nfs/dbraw/zinc/24/66/09/387246609.db2.gz YGRWHPJWWHOTNR-VOAKCMCISA-N 2 0 221.348 1.656 20 30 BDEDRP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492951 387336665 /nfs/dbraw/zinc/33/66/65/387336665.db2.gz PCYSAOORYPSAIT-KBPBESRZSA-N 2 0 238.375 1.699 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422856526 387740859 /nfs/dbraw/zinc/74/08/59/387740859.db2.gz FOQMALBBNISXPK-OCCSQVGLSA-N 2 0 237.391 1.224 20 30 BDEDRP N#CCCNCc1cccc(Cn2ccnc2)c1 ZINC000564077243 387819973 /nfs/dbraw/zinc/81/99/73/387819973.db2.gz KUWXWJHXZQBAEA-UHFFFAOYSA-N 2 0 240.310 1.935 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423014366 387836127 /nfs/dbraw/zinc/83/61/27/387836127.db2.gz IENPUUOMOQUJEW-AGIUHOORSA-N 2 0 226.364 1.149 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423106551 387890688 /nfs/dbraw/zinc/89/06/88/387890688.db2.gz ZZPFUAGSLHEKJE-CRWXNKLISA-N 2 0 238.375 1.698 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330544 387975325 /nfs/dbraw/zinc/97/53/25/387975325.db2.gz RALZAIPUQLRRMF-MBJXGIAVSA-N 2 0 235.375 1.997 20 30 BDEDRP C=C(CC)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106133 388143752 /nfs/dbraw/zinc/14/37/52/388143752.db2.gz PSJWQTOZGQQOSZ-UHFFFAOYSA-N 2 0 238.375 1.749 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000449519772 388222775 /nfs/dbraw/zinc/22/27/75/388222775.db2.gz NFBIWKFCLUIRKV-KGLIPLIRSA-N 2 0 238.375 1.794 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000451607392 388283851 /nfs/dbraw/zinc/28/38/51/388283851.db2.gz KTAJMHIAANOVAX-OLZOCXBDSA-N 2 0 226.364 1.651 20 30 BDEDRP C#CC[N@H+](C)CCCNc1cc[nH+]cc1C ZINC000328129698 388451937 /nfs/dbraw/zinc/45/19/37/388451937.db2.gz VXRTZAZETQJWDJ-UHFFFAOYSA-N 2 0 217.316 1.757 20 30 BDEDRP C=CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238110 388638101 /nfs/dbraw/zinc/63/81/01/388638101.db2.gz JWIPTIULNHUJRH-ZDUSSCGKSA-N 2 0 224.348 1.263 20 30 BDEDRP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1 ZINC000423190740 388688319 /nfs/dbraw/zinc/68/83/19/388688319.db2.gz OBHRFGQCIWXEFS-CYBMUJFWSA-N 2 0 217.316 1.948 20 30 BDEDRP CC[C@H]([NH2+]CCC[NH3+])c1ccc(C#N)cc1 ZINC000423190741 388688921 /nfs/dbraw/zinc/68/89/21/388688921.db2.gz OBHRFGQCIWXEFS-ZDUSSCGKSA-N 2 0 217.316 1.948 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565223782 388927958 /nfs/dbraw/zinc/92/79/58/388927958.db2.gz AMDFXMIWZOFAMU-YFKTTZPYSA-N 2 0 210.321 1.189 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367846721 134216582 /nfs/dbraw/zinc/21/65/82/134216582.db2.gz CFPQDQVQCZBSQX-ZIAGYGMSSA-N 2 0 238.375 1.341 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000168604073 134231551 /nfs/dbraw/zinc/23/15/51/134231551.db2.gz IAFMTPPPTKVKTH-STQMWFEESA-N 2 0 226.364 1.686 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000168609624 134231573 /nfs/dbraw/zinc/23/15/73/134231573.db2.gz GTRFBYALHAPESZ-NEPJUHHUSA-N 2 0 212.337 1.296 20 30 BDEDRP CC#CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121629429 134234903 /nfs/dbraw/zinc/23/49/03/134234903.db2.gz FIKVQNOGMWTFGQ-UHFFFAOYSA-N 2 0 208.349 1.673 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000305082828 134239510 /nfs/dbraw/zinc/23/95/10/134239510.db2.gz MXJGEXBPJLYTAP-KGLIPLIRSA-N 2 0 240.391 1.587 20 30 BDEDRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309625166 134473952 /nfs/dbraw/zinc/47/39/52/134473952.db2.gz GELXFWLQESWRNN-QWHCGFSZSA-N 2 0 221.348 1.610 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261689502 135246032 /nfs/dbraw/zinc/24/60/32/135246032.db2.gz BAHGCPWFOPVRFQ-NEPJUHHUSA-N 2 0 238.379 1.197 20 30 BDEDRP C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1CCCC[C@H]1C ZINC000261709251 135247858 /nfs/dbraw/zinc/24/78/58/135247858.db2.gz DIQWJSWIBGXHLT-GHMZBOCLSA-N 2 0 238.379 1.316 20 30 BDEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000262004428 135271549 /nfs/dbraw/zinc/27/15/49/135271549.db2.gz QXIOXPCTLOQPPT-LLVKDONJSA-N 2 0 247.346 1.148 20 30 BDEDRP N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335561765 136106218 /nfs/dbraw/zinc/10/62/18/136106218.db2.gz JUAXYCNLCIOCLG-YIONKMFJSA-N 2 0 241.338 1.931 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000643479496 398110147 /nfs/dbraw/zinc/11/01/47/398110147.db2.gz IMYWKZMHSMMEPY-VXGBXAGGSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000651739006 411139815 /nfs/dbraw/zinc/13/98/15/411139815.db2.gz GAFXMVKGBWGJDN-MGPQQGTHSA-N 2 0 240.391 1.633 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400956259 411166512 /nfs/dbraw/zinc/16/65/12/411166512.db2.gz HGXVPIRRPOXHKH-HZSPNIEDSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400986660 411167300 /nfs/dbraw/zinc/16/73/00/411167300.db2.gz ZCRJIVFXBBCEBR-RWMBFGLXSA-N 2 0 224.348 1.167 20 30 BDEDRP C=CCCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659942008 411506036 /nfs/dbraw/zinc/50/60/36/411506036.db2.gz RYYFWGSVZUJQRE-ZDUSSCGKSA-N 2 0 228.380 1.586 20 30 BDEDRP C=CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659747 411615213 /nfs/dbraw/zinc/61/52/13/411615213.db2.gz QOAVMTKVGWTNKW-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000661759991 411872056 /nfs/dbraw/zinc/87/20/56/411872056.db2.gz NSNFYEKEEJTUPJ-ZDUSSCGKSA-N 2 0 242.407 1.974 20 30 BDEDRP C=CCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319752 412100004 /nfs/dbraw/zinc/10/00/04/412100004.db2.gz LVLWXQUAPRLCSS-CYBMUJFWSA-N 2 0 226.364 1.605 20 30 BDEDRP C=CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665237558 412178920 /nfs/dbraw/zinc/17/89/20/412178920.db2.gz DIBITEKURIKOSQ-JHJVBQTASA-N 2 0 224.348 1.309 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000665263639 412202819 /nfs/dbraw/zinc/20/28/19/412202819.db2.gz QVULRVGDBMOBTR-CHWSQXEVSA-N 2 0 226.364 1.699 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000665263211 412205266 /nfs/dbraw/zinc/20/52/66/412205266.db2.gz IMIOYECZWBDUNS-OLZOCXBDSA-N 2 0 226.364 1.686 20 30 BDEDRP C#CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000760861091 585400211 /nfs/dbraw/zinc/40/02/11/585400211.db2.gz APBUKRJRIMDYLK-CHWSQXEVSA-N 2 0 208.349 1.672 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000309014128 323189792 /nfs/dbraw/zinc/18/97/92/323189792.db2.gz YQKRVWUZVYYDSW-JTQLQIEISA-N 2 0 203.289 1.243 20 30 BDEDRP C=C(C)CC[NH2+][C@H](CCC[NH3+])COC ZINC000395735755 323240570 /nfs/dbraw/zinc/24/05/70/323240570.db2.gz QOXPACNZBQDTPZ-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000320268563 323554249 /nfs/dbraw/zinc/55/42/49/323554249.db2.gz KXQAJGACPFWXIG-IJLUTSLNSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CCN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568249326 326334812 /nfs/dbraw/zinc/33/48/12/326334812.db2.gz NNYMWAKFWJKPSV-OCCSQVGLSA-N 2 0 237.391 1.496 20 30 BDEDRP C=CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000662299862 487546366 /nfs/dbraw/zinc/54/63/66/487546366.db2.gz YPAIEVQXIFIAGE-NWDGAFQWSA-N 2 0 212.337 1.119 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341882371 534403540 /nfs/dbraw/zinc/40/35/40/534403540.db2.gz HBGCUVHNWZUFKZ-IHRRRGAJSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000341888216 534399822 /nfs/dbraw/zinc/39/98/22/534399822.db2.gz QBHSTLOZGCGRJX-HZSPNIEDSA-N 2 0 240.391 1.491 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000222442949 534779047 /nfs/dbraw/zinc/77/90/47/534779047.db2.gz YQINYOKNBUHTML-QWHCGFSZSA-N 2 0 226.364 1.509 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000424377145 527499210 /nfs/dbraw/zinc/49/92/10/527499210.db2.gz MEJLKFLHFZAGMH-CYDGBPFRSA-N 2 0 224.348 1.308 20 30 BDEDRP C=CC[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858400284 588951546 /nfs/dbraw/zinc/95/15/46/588951546.db2.gz JADGLVVYIUPSTH-UHFFFAOYSA-N 2 0 247.342 1.636 20 30 BDEDRP N#CC1CCC(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000903423026 584764716 /nfs/dbraw/zinc/76/47/16/584764716.db2.gz NJCJPJSKJBVBSX-WXRRBKDZSA-N 2 0 221.348 1.597 20 30 BDEDRP C[C@H]([NH3+])CN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000903474896 584776598 /nfs/dbraw/zinc/77/65/98/584776598.db2.gz SSAOOCBQQBGNFK-VIFPVBQESA-N 2 0 237.734 1.991 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000903563702 584782532 /nfs/dbraw/zinc/78/25/32/584782532.db2.gz JSBSBSGAWQJEBS-VXGBXAGGSA-N 2 0 207.321 1.222 20 30 BDEDRP N#CC1(C[NH2+]C2CC(C[NH3+])C2)CCCCC1 ZINC000904378353 584875954 /nfs/dbraw/zinc/87/59/54/584875954.db2.gz BMPPFPVRHYPSJJ-UHFFFAOYSA-N 2 0 221.348 1.787 20 30 BDEDRP C#CCOc1ccc([C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000817971905 584993910 /nfs/dbraw/zinc/99/39/10/584993910.db2.gz RAKZSOAUZCUZSM-RYUDHWBXSA-N 2 0 232.327 1.696 20 30 BDEDRP C#CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000760842304 585399424 /nfs/dbraw/zinc/39/94/24/585399424.db2.gz GEZSKXZGAOPGCC-OLZOCXBDSA-N 2 0 208.349 1.814 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000817931903 586841962 /nfs/dbraw/zinc/84/19/62/586841962.db2.gz OOPQVVULLHRPHD-TZMCWYRMSA-N 2 0 244.342 1.560 20 30 BDEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000817965946 586854965 /nfs/dbraw/zinc/85/49/65/586854965.db2.gz XKCQUEKNODBRJM-GFCCVEGCSA-N 2 0 244.338 1.569 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995528 588428784 /nfs/dbraw/zinc/42/87/84/588428784.db2.gz OUAQGURKNFQBQJ-LLVKDONJSA-N 2 0 224.352 1.161 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996365 588429038 /nfs/dbraw/zinc/42/90/38/588429038.db2.gz QXBUAIVWNFVNAE-GFCCVEGCSA-N 2 0 238.379 1.407 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996033 588429081 /nfs/dbraw/zinc/42/90/81/588429081.db2.gz CMCZDSUFRYRYMW-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP C=CCNC(=[NH2+])NCC[N@@H+](CC)CCC ZINC000849004232 588431815 /nfs/dbraw/zinc/43/18/15/588431815.db2.gz BBIWHHHLVSIRSS-UHFFFAOYSA-N 2 0 212.341 1.018 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000849012632 588435477 /nfs/dbraw/zinc/43/54/77/588435477.db2.gz GTEARWQXXPOMOO-LBPRGKRZSA-N 2 0 238.379 1.264 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCC ZINC000849028046 588441417 /nfs/dbraw/zinc/44/14/17/588441417.db2.gz ZCZQXSHODXSIPM-LBPRGKRZSA-N 2 0 238.379 1.551 20 30 BDEDRP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000851796396 588629569 /nfs/dbraw/zinc/62/95/69/588629569.db2.gz DBVRWOIKFOZYGN-KGLIPLIRSA-N 2 0 238.375 1.441 20 30 BDEDRP C#CCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000851985839 588651924 /nfs/dbraw/zinc/65/19/24/588651924.db2.gz SPEKIGDSVDUFDR-CYBMUJFWSA-N 2 0 224.348 1.052 20 30 BDEDRP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852104808 588663834 /nfs/dbraw/zinc/66/38/34/588663834.db2.gz GAWWGMVZUHBQCG-AWEZNQCLSA-N 2 0 220.360 1.818 20 30 BDEDRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000873256143 590010855 /nfs/dbraw/zinc/01/08/55/590010855.db2.gz LZKVTKHPHYTIQP-JKOKRWQUSA-N 2 0 229.327 1.946 20 30 BDEDRP C=CC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000878992989 590673131 /nfs/dbraw/zinc/67/31/31/590673131.db2.gz GJLNQEZXDKXPIC-GXTWGEPZSA-N 2 0 238.375 1.482 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000883390560 591643087 /nfs/dbraw/zinc/64/30/87/591643087.db2.gz PDTPMPGBNYMHOA-GXTWGEPZSA-N 2 0 240.391 1.633 20 30 BDEDRP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000884610962 591993840 /nfs/dbraw/zinc/99/38/40/591993840.db2.gz ZJUQXHWJPNDION-ZDUSSCGKSA-N 2 0 245.326 1.083 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000104153829 592601623 /nfs/dbraw/zinc/60/16/23/592601623.db2.gz NNTSFKWTZUCRPE-UHFFFAOYSA-N 2 0 242.411 1.762 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000104168064 592602568 /nfs/dbraw/zinc/60/25/68/592602568.db2.gz FATFZIBZDIVBDE-UHFFFAOYSA-N 2 0 240.395 1.375 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000104167082 592602843 /nfs/dbraw/zinc/60/28/43/592602843.db2.gz ATLWQGYTNQSZJH-LLVKDONJSA-N 2 0 228.384 1.373 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](C(CC)CC)[NH+](C)C ZINC000104161063 634512440 /nfs/dbraw/zinc/51/24/40/634512440.db2.gz CRJUPJKOLMYTCS-LBPRGKRZSA-N 2 0 242.411 1.667 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])N(C)C1CC1 ZINC000181476218 633916977 /nfs/dbraw/zinc/91/69/77/633916977.db2.gz LIWTWKHCDAVPSE-UHFFFAOYSA-N 2 0 226.368 1.127 20 30 BDEDRP N#CCCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925608751 634144458 /nfs/dbraw/zinc/14/44/58/634144458.db2.gz JALSDSPZKXHGFU-OBPIAQAESA-N 2 0 219.332 1.266 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811219 635365755 /nfs/dbraw/zinc/36/57/55/635365755.db2.gz HMJOFEXNLKBOAC-GFCCVEGCSA-N 2 0 225.380 1.354 20 30 BDEDRP C=C(Cl)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870169 636879899 /nfs/dbraw/zinc/87/98/99/636879899.db2.gz VFCLSNMVRNBRIU-UHFFFAOYSA-N 2 0 202.729 1.941 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902367658 637294426 /nfs/dbraw/zinc/29/44/26/637294426.db2.gz DQZCUQYVLRAJCC-CYBMUJFWSA-N 2 0 240.391 1.947 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911818835 639836020 /nfs/dbraw/zinc/83/60/20/639836020.db2.gz LWLJCCAYQJOCQK-RYUDHWBXSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911834523 639845906 /nfs/dbraw/zinc/84/59/06/639845906.db2.gz VPQDBZNZNVDRNU-DGCLKSJQSA-N 2 0 241.379 1.160 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000305802295 642699984 /nfs/dbraw/zinc/69/99/84/642699984.db2.gz DVHYAFDKAYYRPE-SNVBAGLBSA-N 2 0 226.368 1.126 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294945 644333056 /nfs/dbraw/zinc/33/30/56/644333056.db2.gz QWVICDXAUWMWHH-BPCQOVAHSA-N 2 0 226.364 1.515 20 30 BDEDRP C=CC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923313904 644339771 /nfs/dbraw/zinc/33/97/71/644339771.db2.gz ZURXBKJCMXQJCV-ZDUSSCGKSA-N 2 0 236.359 1.263 20 30 BDEDRP C=CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304871 644341980 /nfs/dbraw/zinc/34/19/80/644341980.db2.gz IARDGOITRSPLAM-KKUMJFAQSA-N 2 0 246.354 1.525 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923331380 644352540 /nfs/dbraw/zinc/35/25/40/644352540.db2.gz GGGGXWKDXTVQFF-XDQVBPFNSA-N 2 0 238.375 1.373 20 30 BDEDRP C=CCC[C@@H](O)CN(CC[NH3+])Cc1ccccc1 ZINC000923332899 644354728 /nfs/dbraw/zinc/35/47/28/644354728.db2.gz XIHFWANSXJGWLV-OAHLLOKOSA-N 2 0 248.370 1.774 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355486 644373310 /nfs/dbraw/zinc/37/33/10/644373310.db2.gz MSWKATMNUCVOCK-KBPBESRZSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415267 644416422 /nfs/dbraw/zinc/41/64/22/644416422.db2.gz ROBUACAQMJFBPA-HZSPNIEDSA-N 2 0 238.375 1.387 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])NCC1CCC1 ZINC000303717048 644840761 /nfs/dbraw/zinc/84/07/61/644840761.db2.gz TUSRQNFEQWKJBP-UHFFFAOYSA-N 2 0 226.368 1.033 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303876317 644853273 /nfs/dbraw/zinc/85/32/73/644853273.db2.gz DWKCUHHTYWPBCE-VXGBXAGGSA-N 2 0 240.395 1.420 20 30 BDEDRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303909271 644857246 /nfs/dbraw/zinc/85/72/46/644857246.db2.gz YBHRLCBVKLCDIB-LBPRGKRZSA-N 2 0 240.395 1.279 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000304083368 644869787 /nfs/dbraw/zinc/86/97/87/644869787.db2.gz ZCJOMMJNAUAVSZ-GFCCVEGCSA-N 2 0 238.379 1.188 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304753088 644929647 /nfs/dbraw/zinc/92/96/47/644929647.db2.gz KVTZPLMOYUXFRX-GFCCVEGCSA-N 2 0 240.395 1.279 20 30 BDEDRP C#Cc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000846054724 645394876 /nfs/dbraw/zinc/39/48/76/645394876.db2.gz FAWMKWNXPWAXNW-UHFFFAOYSA-N 2 0 246.354 1.336 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697551 646421278 /nfs/dbraw/zinc/42/12/78/646421278.db2.gz XWWIGEOBLCLZGS-MNOVXSKESA-N 2 0 221.348 1.786 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925770727 646471628 /nfs/dbraw/zinc/47/16/28/646471628.db2.gz KZQSUFPKDKKBIX-NEPJUHHUSA-N 2 0 212.337 1.045 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810002 646490685 /nfs/dbraw/zinc/49/06/85/646490685.db2.gz MMEQZYSEHWHHHY-STQMWFEESA-N 2 0 239.407 1.600 20 30 BDEDRP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1C#N ZINC000925837745 646504290 /nfs/dbraw/zinc/50/42/90/646504290.db2.gz IQPOXVIYMMVCGB-LLVKDONJSA-N 2 0 229.327 1.564 20 30 BDEDRP C=C(C)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000386862060 711819763 /nfs/dbraw/zinc/81/97/63/711819763.db2.gz JQOVSPJMXRTIQR-JZRPKSSGSA-N 2 0 206.333 1.539 20 30 BDEDRP C[NH+](C)CC1(O)CC[NH+](CCCCC#N)CC1 ZINC000710662509 712265593 /nfs/dbraw/zinc/26/55/93/712265593.db2.gz AKRSGGNZZNASAV-UHFFFAOYSA-N 2 0 239.363 1.069 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCCC[C@@H]2C)N1 ZINC000383988000 712887653 /nfs/dbraw/zinc/88/76/53/712887653.db2.gz KYXGUVSKFXJYJI-NEPJUHHUSA-N 2 0 238.379 1.188 20 30 BDEDRP CN(C)C(=[NH2+])NCCCCCCC[NH+](C)C ZINC000170911538 711837952 /nfs/dbraw/zinc/83/79/52/711837952.db2.gz DKDSGFDZFMFPBR-UHFFFAOYSA-N 2 0 228.384 1.375 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000715043603 712504882 /nfs/dbraw/zinc/50/48/82/712504882.db2.gz NYZUMAOPLRSQCO-GFCCVEGCSA-N 2 0 226.364 1.340 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC001207438549 960093332 /nfs/dbraw/zinc/09/33/32/960093332.db2.gz AFDASCUVIOFYER-LBPRGKRZSA-N 2 0 221.348 1.612 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252625300 968885927 /nfs/dbraw/zinc/88/59/27/968885927.db2.gz VGOXWTOGVRDSHI-AVGNSLFASA-N 2 0 226.364 1.243 20 30 BDEDRP C=CCCCC[N@@H+](C)C[C@H](O)C[NH+](CC)CC ZINC001253195892 969108903 /nfs/dbraw/zinc/10/89/03/969108903.db2.gz SBNGRIPCKKYJOZ-AWEZNQCLSA-N 2 0 242.407 1.977 20 30 BDEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC#N)C2 ZINC001169097873 969389076 /nfs/dbraw/zinc/38/90/76/969389076.db2.gz DGFBHQDPTFTJJZ-CLLJXQQHSA-N 2 0 221.348 1.895 20 30 BDEDRP C#C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254526620 969719131 /nfs/dbraw/zinc/71/91/31/969719131.db2.gz RYABGCDAYLVLON-ZIAGYGMSSA-N 2 0 220.360 1.816 20 30 BDEDRP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CC1 ZINC001341490119 979433168 /nfs/dbraw/zinc/43/31/68/979433168.db2.gz GODHHEQLNNDOCL-AWEZNQCLSA-N 2 0 220.360 1.816 20 30 BDEDRP N#CC1CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001256955818 971030622 /nfs/dbraw/zinc/03/06/22/971030622.db2.gz BPJORYMLAURPCU-UHFFFAOYSA-N 2 0 226.349 1.285 20 30 BDEDRP N#CCc1c(F)cccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170904243 972077173 /nfs/dbraw/zinc/07/71/73/972077173.db2.gz MLGBLSPOCVDQMJ-LBPRGKRZSA-N 2 0 236.294 1.327 20 30 BDEDRP N#Cc1cc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159786428 972113721 /nfs/dbraw/zinc/11/37/21/972113721.db2.gz ZYAQYCBTYDCSRM-VIFPVBQESA-N 2 0 239.710 1.042 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385249 972451175 /nfs/dbraw/zinc/45/11/75/972451175.db2.gz IPMHRFGTGDTRNO-AWEZNQCLSA-N 2 0 237.391 1.370 20 30 BDEDRP CC1([NH2+]C#C[Si](C)(C)C)CC[NH2+]CC1 ZINC001168186553 963942604 /nfs/dbraw/zinc/94/26/04/963942604.db2.gz CNFYWPXPLNSNIH-UHFFFAOYSA-N 2 0 210.397 1.556 20 30 BDEDRP C[NH+](C)C1CCC([NH2+]CCS)CC1 ZINC001168295237 964388827 /nfs/dbraw/zinc/38/88/27/964388827.db2.gz XVGLFQIVYDCUIE-UHFFFAOYSA-N 2 0 202.367 1.379 20 30 BDEDRP C=CC[NH2+]CCN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727833 967138833 /nfs/dbraw/zinc/13/88/33/967138833.db2.gz RFPHNFJKMHVKAR-UHFFFAOYSA-N 2 0 237.391 1.228 20 30 BDEDRP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093854 967342623 /nfs/dbraw/zinc/34/26/23/967342623.db2.gz GRFUMMVWQQAVPR-AWEZNQCLSA-N 2 0 229.327 1.871 20 30 BDEDRP C=CCCCCCCN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346941 967560605 /nfs/dbraw/zinc/56/06/05/967560605.db2.gz JAMDAINVWQJIHD-VXGBXAGGSA-N 2 0 212.337 1.127 20 30 BDEDRP CC1(C#N)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207438977 968775692 /nfs/dbraw/zinc/77/56/92/968775692.db2.gz GLZPWODPPFHYJB-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001252570804 968820809 /nfs/dbraw/zinc/82/08/09/968820809.db2.gz BPDFXKXBXQPJOW-OAHLLOKOSA-N 2 0 248.370 1.775 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001253598082 969291617 /nfs/dbraw/zinc/29/16/17/969291617.db2.gz NLNBDMISUCJYBX-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+]CCCS)CC1 ZINC001254507055 969652474 /nfs/dbraw/zinc/65/24/74/969652474.db2.gz DXLYOPXKSFBKIV-JTQLQIEISA-N 2 0 202.367 1.380 20 30 BDEDRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667261 969773648 /nfs/dbraw/zinc/77/36/48/969773648.db2.gz BREJDGJLDMMSTI-UONOGXRCSA-N 2 0 235.375 1.952 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254674189 969779456 /nfs/dbraw/zinc/77/94/56/969779456.db2.gz VKRBAIQSTXRSBU-QWHCGFSZSA-N 2 0 233.359 1.706 20 30 BDEDRP C=C(C)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170210551 970586077 /nfs/dbraw/zinc/58/60/77/970586077.db2.gz CPXVVTFUVGXMOW-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(C#N)C1 ZINC001255953851 970588453 /nfs/dbraw/zinc/58/84/53/970588453.db2.gz VWSLERQOMXIHHX-HIFPTAJRSA-N 2 0 223.364 1.999 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246545762 972660497 /nfs/dbraw/zinc/66/04/97/972660497.db2.gz DABJLLCTYJAQHZ-JHJVBQTASA-N 2 0 239.338 1.832 20 30 BDEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC#N)C2 ZINC001172111044 974375807 /nfs/dbraw/zinc/37/58/07/974375807.db2.gz PWKXQVGZRZTWEN-XYYAHUGASA-N 2 0 221.348 1.895 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172478018 974776908 /nfs/dbraw/zinc/77/69/08/974776908.db2.gz AWIGXHLARFDRAF-RYUDHWBXSA-N 2 0 209.337 1.610 20 30 BDEDRP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001173350818 975296479 /nfs/dbraw/zinc/29/64/79/975296479.db2.gz QLXUPNHSIIMHHI-JTQLQIEISA-N 2 0 236.294 1.020 20 30 BDEDRP C[N@@H+]1CC[C@@H]2CN(Cc3[nH]ccc3C#N)C[C@@H]2C1 ZINC001233043442 978427071 /nfs/dbraw/zinc/42/70/71/978427071.db2.gz JCLQOGZTZVCRHD-OLZOCXBDSA-N 2 0 244.342 1.270 20 30 BDEDRP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946083 983654194 /nfs/dbraw/zinc/65/41/94/983654194.db2.gz ILERCCZFYWRLRM-ZIAGYGMSSA-N 2 0 240.391 1.907 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252576733 983831613 /nfs/dbraw/zinc/83/16/13/983831613.db2.gz NKZAFIFIXFYDRG-LBPRGKRZSA-N 2 0 214.353 1.101 20 30 BDEDRP C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CC[NH3+] ZINC001579440284 985929767 /nfs/dbraw/zinc/92/97/67/985929767.db2.gz SYXORUUVYXGQHM-FRRDWIJNSA-N 2 0 234.347 1.347 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001258720183 986046425 /nfs/dbraw/zinc/04/64/25/986046425.db2.gz TZCKDFMMYNUSEI-CQSZACIVSA-N 2 0 239.407 1.568 20 30 BDEDRP C=C[C@H](O)C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001253582553 986149069 /nfs/dbraw/zinc/14/90/69/986149069.db2.gz QCPFPNOKARXUGA-AWEZNQCLSA-N 2 0 240.391 1.586 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001253597981 986218860 /nfs/dbraw/zinc/21/88/60/986218860.db2.gz LNKASMFSVBRQDL-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2(C[NH3+])CCC2)C1 ZINC001580056037 986461031 /nfs/dbraw/zinc/46/10/31/986461031.db2.gz HDPDCMJGRRPFCV-WDEREUQCSA-N 2 0 207.321 1.397 20 30 BDEDRP N#Cc1ccnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC001580081222 986528152 /nfs/dbraw/zinc/52/81/52/986528152.db2.gz XKUMYAVKIBPMDR-LBPRGKRZSA-N 2 0 244.342 1.514 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001245986646 987263363 /nfs/dbraw/zinc/26/33/63/987263363.db2.gz YUXQJWPGKGREPK-XQQFMLRXSA-N 2 0 226.364 1.149 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246018719 987306247 /nfs/dbraw/zinc/30/62/47/987306247.db2.gz FTFSYQWAPFABIL-GHMZBOCLSA-N 2 0 248.317 1.229 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246197992 987589749 /nfs/dbraw/zinc/58/97/49/987589749.db2.gz NCFSMWVAVBYVRV-NWDGAFQWSA-N 2 0 209.337 1.658 20 30 BDEDRP N#CC12CCC([NH2+]C3CC[NH2+]CC3)(CC1)CC2 ZINC001246260784 987654822 /nfs/dbraw/zinc/65/48/22/987654822.db2.gz ARDKWIGLGKHLEH-UHFFFAOYSA-N 2 0 233.359 1.945 20 30 BDEDRP SCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246309249 987708794 /nfs/dbraw/zinc/70/87/94/987708794.db2.gz NVHCIZYTNAOFDI-ULKQDVFKSA-N 2 0 200.351 1.179 20 30 BDEDRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246311490 987713090 /nfs/dbraw/zinc/71/30/90/987713090.db2.gz DSWWHGJOKXTBDV-SMDDNHRTSA-N 2 0 231.343 1.816 20 30 BDEDRP CCCCCCC[C@@H](C)[NH2+]CCNCC[NH3+] ZINC001246405565 987787179 /nfs/dbraw/zinc/78/71/79/987787179.db2.gz QGKCVWQCBHJBFV-CYBMUJFWSA-N 2 0 229.412 1.873 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC001246474760 987830863 /nfs/dbraw/zinc/83/08/63/987830863.db2.gz BCDRQDGWERESHV-UTUOFQBUSA-N 2 0 209.337 1.928 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246474945 987832168 /nfs/dbraw/zinc/83/21/68/987832168.db2.gz CMCXDOQLONADEW-SRVKXCTJSA-N 2 0 227.327 1.606 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246540370 987901504 /nfs/dbraw/zinc/90/15/04/987901504.db2.gz DNLPUGCYCHMQNG-OLZOCXBDSA-N 2 0 239.363 1.244 20 30 BDEDRP C[C@H]1C[N@@H+](C2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC001246540749 987902762 /nfs/dbraw/zinc/90/27/62/987902762.db2.gz KCVQZAMZCGUBOF-GMKTYKIGSA-N 2 0 221.348 1.595 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246542779 987908958 /nfs/dbraw/zinc/90/89/58/987908958.db2.gz KZKDPSDDDNBXQQ-STQMWFEESA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565613 988020763 /nfs/dbraw/zinc/02/07/63/988020763.db2.gz ZCYCLBRYZZFRFV-CHWSQXEVSA-N 2 0 226.364 1.517 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001118121866 988026931 /nfs/dbraw/zinc/02/69/31/988026931.db2.gz KECNTIRKBICZHG-GRTSSRMGSA-N 2 0 243.354 1.795 20 30 BDEDRP N#CCC1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246856406 988582833 /nfs/dbraw/zinc/58/28/33/988582833.db2.gz XAKOJOUFZONXRG-YIOUJQMASA-N 2 0 233.359 1.882 20 30 BDEDRP C#CC1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246880140 988648271 /nfs/dbraw/zinc/64/82/71/988648271.db2.gz HIDCEAMZXHULRZ-DGCLKSJQSA-N 2 0 206.333 1.472 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC001521407649 989699743 /nfs/dbraw/zinc/69/97/43/989699743.db2.gz AROBRWUPNINMLJ-NSHDSACASA-N 2 0 241.379 1.126 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540116 989738015 /nfs/dbraw/zinc/73/80/15/989738015.db2.gz BYQLNUBLEKRXLN-VXGBXAGGSA-N 2 0 241.379 1.304 20 30 BDEDRP CCC#C[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560136917 991394308 /nfs/dbraw/zinc/39/43/08/991394308.db2.gz LQKHDLSEKYEWQN-HZSPNIEDSA-N 2 0 220.360 1.957 20 30 BDEDRP C#C[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC001574505259 992873669 /nfs/dbraw/zinc/87/36/69/992873669.db2.gz SNGBRRCKUWWHBS-RWMBFGLXSA-N 2 0 206.333 1.459 20 30 BDEDRP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001574835725 992923162 /nfs/dbraw/zinc/92/31/62/992923162.db2.gz FGMLRVIJUVGPLU-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000381761851 993424095 /nfs/dbraw/zinc/42/40/95/993424095.db2.gz UCSFMMVIDDZGNY-AGIUHOORSA-N 2 0 221.348 1.753 20 30 BDEDRP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC001308134484 995561583 /nfs/dbraw/zinc/56/15/83/995561583.db2.gz BMOUVWUCLQRSSJ-UONOGXRCSA-N 2 0 240.391 1.730 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423019711 398161056 /nfs/dbraw/zinc/16/10/56/398161056.db2.gz WVTLAPWSNMQORG-FRRDWIJNSA-N 2 0 226.364 1.291 20 30 BDEDRP C[C@@H](CCC#N)C[NH+]1CCC([NH+](C)C)CC1 ZINC000602443619 349545011 /nfs/dbraw/zinc/54/50/11/349545011.db2.gz GQJVYVJTNFMFFN-LBPRGKRZSA-N 2 0 223.364 1.952 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000602582136 349610125 /nfs/dbraw/zinc/61/01/25/349610125.db2.gz OFAJOWRLJHDRTH-GFCCVEGCSA-N 2 0 221.348 1.778 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602582073 349610157 /nfs/dbraw/zinc/61/01/57/349610157.db2.gz NMWYHKCDNRJMDU-UHFFFAOYSA-N 2 0 233.359 1.920 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000602570397 349620812 /nfs/dbraw/zinc/62/08/12/349620812.db2.gz TYPIHGYBHFVLFE-BZPMIXESSA-N 2 0 235.375 1.999 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000168600529 343210585 /nfs/dbraw/zinc/21/05/85/343210585.db2.gz CRKCFUCQRRVOMV-NEPJUHHUSA-N 2 0 212.337 1.439 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129346523 344212911 /nfs/dbraw/zinc/21/29/11/344212911.db2.gz WVFKNJNGFQMWOL-RYUDHWBXSA-N 2 0 228.405 1.835 20 30 BDEDRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000600714537 344362101 /nfs/dbraw/zinc/36/21/01/344362101.db2.gz ULOCPENROKJVTF-GMKTYKIGSA-N 2 0 221.348 1.799 20 30 BDEDRP C=CC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000080645537 345380753 /nfs/dbraw/zinc/38/07/53/345380753.db2.gz GTGWCXBBMMIIAY-UHFFFAOYSA-N 2 0 240.391 1.995 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401056527 346085641 /nfs/dbraw/zinc/08/56/41/346085641.db2.gz HZBUYFQNDUWNOI-FRRDWIJNSA-N 2 0 240.416 1.883 20 30 BDEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186713495 346534406 /nfs/dbraw/zinc/53/44/06/346534406.db2.gz AKSGACRGKALXRN-CYBMUJFWSA-N 2 0 240.391 1.776 20 30 BDEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000591578183 347677628 /nfs/dbraw/zinc/67/76/28/347677628.db2.gz LUKPMVBDSBSEJN-OAHLLOKOSA-N 2 0 241.338 1.745 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000592985253 347836345 /nfs/dbraw/zinc/83/63/45/347836345.db2.gz KBJXGIAKRIHBDS-AWEZNQCLSA-N 2 0 241.338 1.790 20 30 BDEDRP N#Cc1ccc(CC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000595888491 348389197 /nfs/dbraw/zinc/38/91/97/348389197.db2.gz NEGAKGDMSJGZNL-UHFFFAOYSA-N 2 0 229.327 1.572 20 30 BDEDRP C[NH2+]C[C@@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595891015 348389970 /nfs/dbraw/zinc/38/99/70/348389970.db2.gz IVKBIQLWMQPYGV-HNNXBMFYSA-N 2 0 243.354 1.785 20 30 BDEDRP C=CCCSCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000596650623 348605939 /nfs/dbraw/zinc/60/59/39/348605939.db2.gz MBLQHBCKZSRDKB-GHMZBOCLSA-N 2 0 214.378 1.765 20 30 BDEDRP CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CC2)[C@@H](C)C1 ZINC000343296479 353407410 /nfs/dbraw/zinc/40/74/10/353407410.db2.gz DGJXSAQJMGDJCD-STQMWFEESA-N 2 0 235.375 1.952 20 30 BDEDRP C=CCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000393854299 353851512 /nfs/dbraw/zinc/85/15/12/353851512.db2.gz QYTUPLAAXAXPMJ-CYBMUJFWSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CC[C@H](CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000393853471 353851790 /nfs/dbraw/zinc/85/17/90/353851790.db2.gz WVKQOUYSJXPEJQ-STQMWFEESA-N 2 0 226.364 1.387 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329518979 355927108 /nfs/dbraw/zinc/92/71/08/355927108.db2.gz NTKUEIPAXAWNBA-OUAUKWLOSA-N 2 0 230.315 1.549 20 30 BDEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329132619 355898491 /nfs/dbraw/zinc/89/84/91/355898491.db2.gz AUHBMAOZHMSQOL-BXKDBHETSA-N 2 0 248.330 1.318 20 30 BDEDRP C=CCCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420379287 192233499 /nfs/dbraw/zinc/23/34/99/192233499.db2.gz MZGSORGCTATLSK-ZDUSSCGKSA-N 2 0 249.362 1.340 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000167716724 134153845 /nfs/dbraw/zinc/15/38/45/134153845.db2.gz WEFWXJAZUQRYAX-NXEZZACHSA-N 2 0 202.729 1.846 20 30 BDEDRP C=C(Cl)C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000167749324 134153992 /nfs/dbraw/zinc/15/39/92/134153992.db2.gz CBQSRKSYXUCCGI-ZJUUUORDSA-N 2 0 218.728 1.096 20 30 BDEDRP C=CCCCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234285358 357778650 /nfs/dbraw/zinc/77/86/50/357778650.db2.gz PFDPEYDNVOXFDQ-UHFFFAOYSA-N 2 0 239.407 1.570 20 30 BDEDRP C#CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371185206 134227340 /nfs/dbraw/zinc/22/73/40/134227340.db2.gz QTVSERKVRDLAGI-BFHYXJOUSA-N 2 0 236.359 1.193 20 30 BDEDRP N#Cc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000584473153 357990478 /nfs/dbraw/zinc/99/04/78/357990478.db2.gz RRCQELCMEYBQSE-LBPRGKRZSA-N 2 0 229.327 1.647 20 30 BDEDRP CC#CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758537 134240518 /nfs/dbraw/zinc/24/05/18/134240518.db2.gz OWSCGCNCLWJXMA-PBWFPOADSA-N 2 0 220.360 1.957 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387861 361040364 /nfs/dbraw/zinc/04/03/64/361040364.db2.gz LMRKQFFYJIACAT-NEPJUHHUSA-N 2 0 226.364 1.685 20 30 BDEDRP C[N@H+](CCCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152365433 201199414 /nfs/dbraw/zinc/19/94/14/201199414.db2.gz YLBIPOGBOGCZTE-ZDUSSCGKSA-N 2 0 223.364 1.954 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)o1 ZINC000600769492 369562660 /nfs/dbraw/zinc/56/26/60/369562660.db2.gz NSLXIBVDHRWBLQ-SECBINFHSA-N 2 0 207.277 1.368 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000600770200 369565911 /nfs/dbraw/zinc/56/59/11/369565911.db2.gz WMFGLMJPVVRXQH-UWVGGRQHSA-N 2 0 219.288 1.368 20 30 BDEDRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000600777713 369565921 /nfs/dbraw/zinc/56/59/21/369565921.db2.gz WKRFXKWCXXINLU-UHFFFAOYSA-N 2 0 247.342 1.226 20 30 BDEDRP C=CCC[C@H](CCC)[NH2+]CCN1CC[C@H](O)C1 ZINC000624334597 371484910 /nfs/dbraw/zinc/48/49/10/371484910.db2.gz CZVACYIMSBNLHX-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H](C)CCC[NH3+] ZINC000308658583 384901585 /nfs/dbraw/zinc/90/15/85/384901585.db2.gz ORBTYFFSKYHULX-NSHDSACASA-N 2 0 200.326 1.296 20 30 BDEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170905331 385454321 /nfs/dbraw/zinc/45/43/21/385454321.db2.gz UUPLSENHNQXGPZ-UHFFFAOYSA-N 2 0 249.362 1.540 20 30 BDEDRP Cn1cc(C[NH2+]CCCC[NH+](C)C)cc1C#N ZINC000232315062 386679285 /nfs/dbraw/zinc/67/92/85/386679285.db2.gz BLZUUQWQLDXOCK-UHFFFAOYSA-N 2 0 234.347 1.328 20 30 BDEDRP C#CCN(Cc1c[nH]cn1)C1CCCC1 ZINC000093819770 386849320 /nfs/dbraw/zinc/84/93/20/386849320.db2.gz DZEJGXLPFZZJHE-UHFFFAOYSA-N 2 0 203.289 1.788 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423498775 387340890 /nfs/dbraw/zinc/34/08/90/387340890.db2.gz CBJPYAHHNDSCTL-YNEHKIRRSA-N 2 0 226.364 1.555 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423519621 387352155 /nfs/dbraw/zinc/35/21/55/387352155.db2.gz PLQFJRIVHWDUBE-STQMWFEESA-N 2 0 226.364 1.699 20 30 BDEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423519618 387352500 /nfs/dbraw/zinc/35/25/00/387352500.db2.gz PLQFJRIVHWDUBE-CHWSQXEVSA-N 2 0 226.364 1.699 20 30 BDEDRP C=C(C)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451979909 387691930 /nfs/dbraw/zinc/69/19/30/387691930.db2.gz GZZOPNIVUAAHDF-UHFFFAOYSA-N 2 0 239.407 1.568 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422979177 387788863 /nfs/dbraw/zinc/78/88/63/387788863.db2.gz LRYLPNQYOKQUDW-KBPBESRZSA-N 2 0 237.391 1.496 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422987862 387797942 /nfs/dbraw/zinc/79/79/42/387797942.db2.gz HOGRWFDDAXLDPW-MNOVXSKESA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423013445 387836247 /nfs/dbraw/zinc/83/62/47/387836247.db2.gz MTIZMSOLCDPULX-CHWSQXEVSA-N 2 0 226.364 1.829 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423015863 387839238 /nfs/dbraw/zinc/83/92/38/387839238.db2.gz LNCUWUOJOXVDHG-XQQFMLRXSA-N 2 0 226.364 1.291 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC12CCC2 ZINC000393214171 387877551 /nfs/dbraw/zinc/87/75/51/387877551.db2.gz KNPUWFAKHXWZHU-CYBMUJFWSA-N 2 0 220.360 1.864 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423159503 387941197 /nfs/dbraw/zinc/94/11/97/387941197.db2.gz YDPLCWKEQMCDHX-YJBUHQLJSA-N 2 0 236.359 1.593 20 30 BDEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424372810 387996063 /nfs/dbraw/zinc/99/60/63/387996063.db2.gz INQBDJHPWXGFLV-GRYCIOLGSA-N 2 0 209.337 1.786 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000423207707 387992687 /nfs/dbraw/zinc/99/26/87/387992687.db2.gz SBXOQTUGHIOQOV-OLZOCXBDSA-N 2 0 225.380 1.082 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000424387409 388001764 /nfs/dbraw/zinc/00/17/64/388001764.db2.gz YPPJMRPHBUJYAR-BJDJZHNGSA-N 2 0 210.321 1.047 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000424385516 388001900 /nfs/dbraw/zinc/00/19/00/388001900.db2.gz WGTFAQKAXNWEOQ-RHYQMDGZSA-N 2 0 212.337 1.293 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000336660051 388088124 /nfs/dbraw/zinc/08/81/24/388088124.db2.gz BBJJZOXOKTZTCC-CHWSQXEVSA-N 2 0 221.348 1.754 20 30 BDEDRP C#CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000490780865 388254278 /nfs/dbraw/zinc/25/42/78/388254278.db2.gz SDOAUZQPUPHKFM-ZDUSSCGKSA-N 2 0 206.333 1.283 20 30 BDEDRP N#Cc1ccc(OCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422994930 388686652 /nfs/dbraw/zinc/68/66/52/388686652.db2.gz WOUPULPNZLNWNR-UHFFFAOYSA-N 2 0 245.326 1.279 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000404829843 388636814 /nfs/dbraw/zinc/63/68/14/388636814.db2.gz HYJXTEJLZDERJH-GXTWGEPZSA-N 2 0 247.317 1.914 20 30 BDEDRP C#CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123616851 388656246 /nfs/dbraw/zinc/65/62/46/388656246.db2.gz YPGBVZGJGJWOSS-UHFFFAOYSA-N 2 0 208.349 1.673 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423299274 388691364 /nfs/dbraw/zinc/69/13/64/388691364.db2.gz BOHAJRYJVAPWSR-QWRGUYRKSA-N 2 0 217.316 1.804 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423315269 388691797 /nfs/dbraw/zinc/69/17/97/388691797.db2.gz ZKGDBQQGJZMILU-HZMBPMFUSA-N 2 0 229.327 1.730 20 30 BDEDRP C=C(C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000352024647 134041878 /nfs/dbraw/zinc/04/18/78/134041878.db2.gz IBVGQGMSIRBBMC-UHFFFAOYSA-N 2 0 240.391 1.731 20 30 BDEDRP C=C(C)COCC[NH2+]C1CCC([NH3+])CC1 ZINC000168599206 134228273 /nfs/dbraw/zinc/22/82/73/134228273.db2.gz VQOHWEAANKPHTI-UHFFFAOYSA-N 2 0 212.337 1.439 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCc2cccc(C[NH+](C)C)c2)N1 ZINC000262640939 135120572 /nfs/dbraw/zinc/12/05/72/135120572.db2.gz HTBVZAUXQOJFOD-LLVKDONJSA-N 2 0 246.358 1.186 20 30 BDEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000264084000 135131569 /nfs/dbraw/zinc/13/15/69/135131569.db2.gz IJEHEOYFJHUPKV-LBPRGKRZSA-N 2 0 232.331 1.507 20 30 BDEDRP C[NH+](CC#CC[N@@H+](C)CC1CC1)CC1CC1 ZINC000341834236 135243022 /nfs/dbraw/zinc/24/30/22/135243022.db2.gz RDNGFGJEENCLCP-UHFFFAOYSA-N 2 0 220.360 1.673 20 30 BDEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CCCC1)N(C)C ZINC000262366569 135296761 /nfs/dbraw/zinc/29/67/61/135296761.db2.gz WEIBQHPOOKPGRB-UHFFFAOYSA-N 2 0 240.395 1.340 20 30 BDEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)C[NH+](C)C ZINC000291944077 135375802 /nfs/dbraw/zinc/37/58/02/135375802.db2.gz PVRHQPPLTIFGIG-NSHDSACASA-N 2 0 234.347 1.611 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345571 411208851 /nfs/dbraw/zinc/20/88/51/411208851.db2.gz GBHPYJUEAVGVKT-YNEHKIRRSA-N 2 0 224.348 1.391 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400986658 411167542 /nfs/dbraw/zinc/16/75/42/411167542.db2.gz ZCRJIVFXBBCEBR-FRRDWIJNSA-N 2 0 224.348 1.167 20 30 BDEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309940020 170017451 /nfs/dbraw/zinc/01/74/51/170017451.db2.gz BJSYWJPDITXCPZ-XQQFMLRXSA-N 2 0 221.348 1.610 20 30 BDEDRP C=CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662289953 412079814 /nfs/dbraw/zinc/07/98/14/412079814.db2.gz AOPNGFPZZKBYJR-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000662298977 412086325 /nfs/dbraw/zinc/08/63/25/412086325.db2.gz ICSJWXPKDJJWAN-CQSZACIVSA-N 2 0 237.391 1.180 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665263441 412205073 /nfs/dbraw/zinc/20/50/73/412205073.db2.gz MGECXKRCVDMGNP-BFHYXJOUSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665263444 412205321 /nfs/dbraw/zinc/20/53/21/412205321.db2.gz MGECXKRCVDMGNP-MGPQQGTHSA-N 2 0 238.375 1.557 20 30 BDEDRP C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000665263210 412205338 /nfs/dbraw/zinc/20/53/38/412205338.db2.gz IMIOYECZWBDUNS-CHWSQXEVSA-N 2 0 226.364 1.686 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277661 412221895 /nfs/dbraw/zinc/22/18/95/412221895.db2.gz HOMMQDZJIKVOPO-ZSVAQUKISA-N 2 0 208.349 1.929 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000424377335 229160181 /nfs/dbraw/zinc/16/01/81/229160181.db2.gz RBRFZLRVUWGSOD-RVMXOQNASA-N 2 0 221.348 1.786 20 30 BDEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC[NH3+] ZINC000911629636 639688871 /nfs/dbraw/zinc/68/88/71/639688871.db2.gz LESHBBLGHGGVAH-LLVKDONJSA-N 2 0 229.368 1.139 20 30 BDEDRP Cc1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1C ZINC000572781982 323069906 /nfs/dbraw/zinc/06/99/06/323069906.db2.gz FNPDVPKHVWCQQV-WDEREUQCSA-N 2 0 218.304 1.510 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@H](C)CCCC[NH3+] ZINC000320598954 323182325 /nfs/dbraw/zinc/18/23/25/323182325.db2.gz DACPASXHWPCRKR-NEPJUHHUSA-N 2 0 214.353 1.421 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758006 323190469 /nfs/dbraw/zinc/19/04/69/323190469.db2.gz OQKFYGUNJWALBI-QWHCGFSZSA-N 2 0 249.358 1.537 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535758007 323190486 /nfs/dbraw/zinc/19/04/86/323190486.db2.gz OQKFYGUNJWALBI-STQMWFEESA-N 2 0 249.358 1.537 20 30 BDEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683227277 488134062 /nfs/dbraw/zinc/13/40/62/488134062.db2.gz XAZMJWUPDWDWPW-QWHCGFSZSA-N 2 0 226.364 1.340 20 30 BDEDRP C=CCCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308825521 491138280 /nfs/dbraw/zinc/13/82/80/491138280.db2.gz DNQOJSHYZZBZEL-RWMBFGLXSA-N 2 0 208.349 1.882 20 30 BDEDRP C=CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947807 526454897 /nfs/dbraw/zinc/45/48/97/526454897.db2.gz SJSGOHJSGKLSTN-UHFFFAOYSA-N 2 0 238.375 1.749 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000424377152 527499167 /nfs/dbraw/zinc/49/91/67/527499167.db2.gz MEJLKFLHFZAGMH-XQHKEYJVSA-N 2 0 224.348 1.308 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H]1C ZINC000261992380 535550031 /nfs/dbraw/zinc/55/00/31/535550031.db2.gz MNOIFRNELUKORE-SDDRHHMPSA-N 2 0 238.379 1.031 20 30 BDEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222109002 582666538 /nfs/dbraw/zinc/66/65/38/582666538.db2.gz UXOWSGQBGWNRRL-QWHCGFSZSA-N 2 0 240.416 1.673 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000104191474 583162576 /nfs/dbraw/zinc/16/25/76/583162576.db2.gz IEIHLPCFMHBSAP-JTQLQIEISA-N 2 0 214.357 1.031 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC(C)(C)CC#N)CC1 ZINC000894856057 583532546 /nfs/dbraw/zinc/53/25/46/583532546.db2.gz OVUVBBSFIOSBNK-UHFFFAOYSA-N 2 0 223.364 1.858 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902370674 584566228 /nfs/dbraw/zinc/56/62/28/584566228.db2.gz MMYDVGCARFWLNG-STQMWFEESA-N 2 0 240.391 1.539 20 30 BDEDRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(C#N)cs1 ZINC000902445170 584598886 /nfs/dbraw/zinc/59/88/86/584598886.db2.gz KSKYGAYIXWRUPC-SECBINFHSA-N 2 0 238.360 1.622 20 30 BDEDRP C[C@@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[NH2+]C1 ZINC000904374128 584873655 /nfs/dbraw/zinc/87/36/55/584873655.db2.gz NDOZPIUUKDFDCF-YNEHKIRRSA-N 2 0 221.348 1.658 20 30 BDEDRP C=CC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000732227892 584934563 /nfs/dbraw/zinc/93/45/63/584934563.db2.gz GPAZNILIMXASQH-CQSZACIVSA-N 2 0 238.375 1.341 20 30 BDEDRP C#CCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000760842290 585399393 /nfs/dbraw/zinc/39/93/93/585399393.db2.gz FWUXSOQQQQYPHT-CYBMUJFWSA-N 2 0 208.349 1.673 20 30 BDEDRP C#CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000766905436 585511065 /nfs/dbraw/zinc/51/10/65/585511065.db2.gz LYRXCOCDLLZPGO-ZDUSSCGKSA-N 2 0 208.349 1.673 20 30 BDEDRP C#C[C@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000847021774 588302973 /nfs/dbraw/zinc/30/29/73/588302973.db2.gz PAOZBWMGKSVWJC-ZDUSSCGKSA-N 2 0 217.316 1.537 20 30 BDEDRP C[NH+]=C(NC[C@H](CC(C)C)[NH+](C)C)NC1CC1 ZINC000848983950 588424855 /nfs/dbraw/zinc/42/48/55/588424855.db2.gz YCDFFFFABNXYQC-LBPRGKRZSA-N 2 0 240.395 1.290 20 30 BDEDRP CN1CCC[NH+]=C1NCCC[NH2+]C(C)(C)C ZINC000848994032 588428265 /nfs/dbraw/zinc/42/82/65/588428265.db2.gz IYOCEYOCGCBRAA-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP CN(C)C(=[NH+]CCCC[N@H+](C)C1CC1)N(C)C ZINC000849039581 588447376 /nfs/dbraw/zinc/44/73/76/588447376.db2.gz GWUUNUPQHIFBMW-UHFFFAOYSA-N 2 0 240.395 1.340 20 30 BDEDRP C#CCOCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000851796395 588629905 /nfs/dbraw/zinc/62/99/05/588629905.db2.gz DBVRWOIKFOZYGN-KBPBESRZSA-N 2 0 238.375 1.441 20 30 BDEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000863642036 589306258 /nfs/dbraw/zinc/30/62/58/589306258.db2.gz PDNHTRMMEOJCJW-UHFFFAOYSA-N 2 0 245.326 1.727 20 30 BDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NC(CC)CC ZINC000864467032 589371824 /nfs/dbraw/zinc/37/18/24/589371824.db2.gz PBQBVCMOBIIVAB-UHFFFAOYSA-N 2 0 238.379 1.244 20 30 BDEDRP C[N@H+](CCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698150 589513056 /nfs/dbraw/zinc/51/30/56/589513056.db2.gz OBYRAOWNKUQTHX-UHFFFAOYSA-N 2 0 217.316 1.381 20 30 BDEDRP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1C[NH2+]C1 ZINC000873276903 590017538 /nfs/dbraw/zinc/01/75/38/590017538.db2.gz YNLDXKXRTGFYNQ-BONVTDFDSA-N 2 0 241.338 1.223 20 30 BDEDRP C=CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879121695 590699513 /nfs/dbraw/zinc/69/95/13/590699513.db2.gz FWDNFFZFRYQMLW-UHFFFAOYSA-N 2 0 226.364 1.463 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883393099 591644879 /nfs/dbraw/zinc/64/48/79/591644879.db2.gz VWCCGRWGZMETEB-QWHCGFSZSA-N 2 0 240.391 1.776 20 30 BDEDRP CCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000104160928 592602753 /nfs/dbraw/zinc/60/27/53/592602753.db2.gz YAFPCPIIXKUUEI-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000198930419 634446677 /nfs/dbraw/zinc/44/66/77/634446677.db2.gz BHLSGESONPHCJI-LBPRGKRZSA-N 2 0 246.358 1.755 20 30 BDEDRP CNC(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)=[NH+]C ZINC000066245728 636120296 /nfs/dbraw/zinc/12/02/96/636120296.db2.gz HOLCKAFJEAZMPJ-AAEUAGOBSA-N 2 0 240.395 1.292 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cccnc1 ZINC000328166234 633740878 /nfs/dbraw/zinc/74/08/78/633740878.db2.gz JFVOUGALEFJADD-UHFFFAOYSA-N 2 0 217.316 1.126 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303388411 636306967 /nfs/dbraw/zinc/30/69/67/636306967.db2.gz XCUXXJUFBIXTTH-MWLCHTKSSA-N 2 0 226.368 1.029 20 30 BDEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906508715 638182118 /nfs/dbraw/zinc/18/21/18/638182118.db2.gz WKELCSSYNMZHEJ-JOCQHMNTSA-N 2 0 232.327 1.831 20 30 BDEDRP CN(C)C(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000170913391 640938253 /nfs/dbraw/zinc/93/82/53/640938253.db2.gz MRHPBANNOJCJMM-UHFFFAOYSA-N 2 0 240.395 1.517 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000231933191 641217668 /nfs/dbraw/zinc/21/76/68/641217668.db2.gz ANTXPYNDOFXZOA-MNOVXSKESA-N 2 0 214.378 1.623 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231930234 641217890 /nfs/dbraw/zinc/21/78/90/641217890.db2.gz MBXYIGQQKRYQLF-LLVKDONJSA-N 2 0 214.378 1.637 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000307488844 642392361 /nfs/dbraw/zinc/39/23/61/642392361.db2.gz DTOCMAXOHFBBFA-GMTAPVOTSA-N 2 0 214.740 1.717 20 30 BDEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N(C)C1CC1 ZINC000305816620 642702038 /nfs/dbraw/zinc/70/20/38/642702038.db2.gz MNVVSHVPRLOWCX-LLVKDONJSA-N 2 0 238.379 1.270 20 30 BDEDRP C=C(Cl)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000307181921 643416984 /nfs/dbraw/zinc/41/69/84/643416984.db2.gz NMEQHRUVUJSKOZ-PHIMTYICSA-N 2 0 214.740 1.670 20 30 BDEDRP C[NH+]1CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000083854036 643626202 /nfs/dbraw/zinc/62/62/02/643626202.db2.gz SKHMDLVQFBQKDE-UHFFFAOYSA-N 2 0 221.348 1.612 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923280585 644315896 /nfs/dbraw/zinc/31/58/96/644315896.db2.gz BURLHOFDNDEWOL-OLZOCXBDSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923331378 644351886 /nfs/dbraw/zinc/35/18/86/644351886.db2.gz GGGGXWKDXTVQFF-FQUUOJAGSA-N 2 0 238.375 1.373 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000923371505 644383992 /nfs/dbraw/zinc/38/39/92/644383992.db2.gz XRPBMBJWRKKAEZ-NWDGAFQWSA-N 2 0 226.364 1.291 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923376544 644391964 /nfs/dbraw/zinc/39/19/64/644391964.db2.gz YRFCJQCAPANVOE-AGIUHOORSA-N 2 0 226.364 1.230 20 30 BDEDRP CCC[N@H+](CC)CCNC(=[NH2+])NC(C)C ZINC000083052937 644398532 /nfs/dbraw/zinc/39/85/32/644398532.db2.gz MDFHYMMRJDEXKH-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000923391383 644395777 /nfs/dbraw/zinc/39/57/77/644395777.db2.gz DXYBERNFLHZVRR-UTUOFQBUSA-N 2 0 212.337 1.125 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923387947 644397842 /nfs/dbraw/zinc/39/78/42/644397842.db2.gz PDTOSEXNPPTRHL-MELADBBJSA-N 2 0 240.391 1.763 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923409288 644411394 /nfs/dbraw/zinc/41/13/94/644411394.db2.gz NDCYRTIOXUTROP-MCIONIFRSA-N 2 0 238.375 1.245 20 30 BDEDRP C=CCCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453439 644441623 /nfs/dbraw/zinc/44/16/23/644441623.db2.gz MIKCBAAQHFOWHU-ZDUSSCGKSA-N 2 0 238.375 1.782 20 30 BDEDRP C#C[C@H](C)[NH+](C)C/C=C/C[N@@H+](C)[C@@H](C)C#C ZINC000769963566 644683002 /nfs/dbraw/zinc/68/30/02/644683002.db2.gz WARNIEGWYSMJLH-KYXFNPKGSA-N 2 0 218.344 1.450 20 30 BDEDRP CNC(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303253116 644812057 /nfs/dbraw/zinc/81/20/57/644812057.db2.gz CGRGGDWJUCPCQN-QWRGUYRKSA-N 2 0 226.368 1.044 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)CC)C1 ZINC000303267152 644812898 /nfs/dbraw/zinc/81/28/98/644812898.db2.gz WVRKBOAISNQEGX-RYUDHWBXSA-N 2 0 240.395 1.421 20 30 BDEDRP CNC(NCCCC[N@@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303267730 644813002 /nfs/dbraw/zinc/81/30/02/644813002.db2.gz XMNBIOPSFSWQIF-GFCCVEGCSA-N 2 0 240.395 1.436 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303257957 644813189 /nfs/dbraw/zinc/81/31/89/644813189.db2.gz KCGSUQGDJWWTRG-SNVBAGLBSA-N 2 0 226.368 1.031 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303257956 644814202 /nfs/dbraw/zinc/81/42/02/644814202.db2.gz KCGSUQGDJWWTRG-JTQLQIEISA-N 2 0 226.368 1.031 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303257863 644814218 /nfs/dbraw/zinc/81/42/18/644814218.db2.gz JWMASVMAZBEZOL-WDEREUQCSA-N 2 0 238.379 1.174 20 30 BDEDRP CCCCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303708538 644838330 /nfs/dbraw/zinc/83/83/30/644838330.db2.gz NECIXPNGZZBUBI-UHFFFAOYSA-N 2 0 242.411 1.810 20 30 BDEDRP CCCCCCNC(=[NH2+])NCCC[NH+](C)C ZINC000303711877 644840567 /nfs/dbraw/zinc/84/05/67/644840567.db2.gz PORUYUQGDGPUQP-UHFFFAOYSA-N 2 0 228.384 1.423 20 30 BDEDRP CCc1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000303723171 644842062 /nfs/dbraw/zinc/84/20/62/644842062.db2.gz YSIPONCZOFQYSE-UHFFFAOYSA-N 2 0 248.374 1.927 20 30 BDEDRP [NH2+]=C(NCCC[NH+]1CCCC1)NCC1CCC1 ZINC000303788800 644845850 /nfs/dbraw/zinc/84/58/50/644845850.db2.gz USKAZFKBBXUIOE-UHFFFAOYSA-N 2 0 238.379 1.177 20 30 BDEDRP CC(C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303876314 644852989 /nfs/dbraw/zinc/85/29/89/644852989.db2.gz DWKCUHHTYWPBCE-NEPJUHHUSA-N 2 0 240.395 1.420 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000303892227 644854125 /nfs/dbraw/zinc/85/41/25/644854125.db2.gz NNDLFMCXYPSSHY-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC(C)C ZINC000303883559 644855027 /nfs/dbraw/zinc/85/50/27/644855027.db2.gz IQBMHYUEUHQVKP-SNVBAGLBSA-N 2 0 214.357 1.029 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCC(C)C ZINC000303895464 644855584 /nfs/dbraw/zinc/85/55/84/644855584.db2.gz PNLDSILJCXNTSM-LLVKDONJSA-N 2 0 228.384 1.277 20 30 BDEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCC(C)C ZINC000304738744 644927361 /nfs/dbraw/zinc/92/73/61/644927361.db2.gz AXQKIVFUBYVVHL-UHFFFAOYSA-N 2 0 228.384 1.279 20 30 BDEDRP C#CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847005262 645413650 /nfs/dbraw/zinc/41/36/50/645413650.db2.gz RDTQZZZAFDINMD-KGLIPLIRSA-N 2 0 238.375 1.034 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925628633 646373575 /nfs/dbraw/zinc/37/35/75/646373575.db2.gz FKXFBCBCFYPNQQ-QJPTWQEYSA-N 2 0 224.348 1.031 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925630221 646377181 /nfs/dbraw/zinc/37/71/81/646377181.db2.gz OLYPMGSZSZETAS-QWHCGFSZSA-N 2 0 238.375 1.435 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925657256 646394597 /nfs/dbraw/zinc/39/45/97/646394597.db2.gz RRAIOIIUJWGEBV-MNOVXSKESA-N 2 0 219.332 1.540 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925697555 646421737 /nfs/dbraw/zinc/42/17/37/646421737.db2.gz XWWIGEOBLCLZGS-WDEREUQCSA-N 2 0 221.348 1.786 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925697549 646422037 /nfs/dbraw/zinc/42/20/37/646422037.db2.gz XWWIGEOBLCLZGS-GHMZBOCLSA-N 2 0 221.348 1.786 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925769172 646466591 /nfs/dbraw/zinc/46/65/91/646466591.db2.gz BGYGNLVDCXIVQW-YNEHKIRRSA-N 2 0 240.391 1.809 20 30 BDEDRP N#CCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926132521 646581872 /nfs/dbraw/zinc/58/18/72/646581872.db2.gz MBWGWTOXIWCRAN-CHWSQXEVSA-N 2 0 221.348 1.897 20 30 BDEDRP N#CCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926132539 646582424 /nfs/dbraw/zinc/58/24/24/646582424.db2.gz MBWGWTOXIWCRAN-QWHCGFSZSA-N 2 0 221.348 1.897 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](CC)C(C)C ZINC000104191594 711575176 /nfs/dbraw/zinc/57/51/76/711575176.db2.gz UZKPZVRTEBIYIP-UHFFFAOYSA-N 2 0 226.368 1.197 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1cncs1 ZINC000382072717 710773140 /nfs/dbraw/zinc/77/31/40/710773140.db2.gz SPWSWTFZTNELJL-UHFFFAOYSA-N 2 0 223.345 1.188 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000723902789 711544660 /nfs/dbraw/zinc/54/46/60/711544660.db2.gz ZSNAYYUMMJXBRJ-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001252579603 968832705 /nfs/dbraw/zinc/83/27/05/968832705.db2.gz NAWFWZRPXPLPOY-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C(C)(C)CC[NH+](C)C ZINC001252618125 968877076 /nfs/dbraw/zinc/87/70/76/968877076.db2.gz PHBRSUTXKIUXDX-GFCCVEGCSA-N 2 0 228.380 1.633 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001208110810 969009296 /nfs/dbraw/zinc/00/92/96/969009296.db2.gz GTIXVHOKYHAABQ-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP SCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676905 970917484 /nfs/dbraw/zinc/91/74/84/970917484.db2.gz JFMNWZRDADHABU-UHFFFAOYSA-N 2 0 244.404 1.149 20 30 BDEDRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(C#N)CC3)C[C@H]2C1 ZINC001256971320 971053165 /nfs/dbraw/zinc/05/31/65/971053165.db2.gz OJYAXBMNYMPGTF-PIOWNMBXSA-N 2 0 247.386 1.952 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1OCc1ccccc1C[NH3+] ZINC001217831323 971424154 /nfs/dbraw/zinc/42/41/54/971424154.db2.gz KOHYAWOKIJUSBT-CQSZACIVSA-N 2 0 232.327 1.580 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCC1(C)CC[NH2+]CC1 ZINC001217831754 971425181 /nfs/dbraw/zinc/42/51/81/971425181.db2.gz JKDLPSWXERMLQO-LBPRGKRZSA-N 2 0 224.348 1.311 20 30 BDEDRP COc1ccc(N[C@@H]([NH3+])CCC[NH3+])c(CC#N)c1 ZINC001170899584 972058938 /nfs/dbraw/zinc/05/89/38/972058938.db2.gz CUCRXZDYUFIWGA-CYBMUJFWSA-N 2 0 248.330 1.197 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH2+]CC1 ZINC001246080433 972134340 /nfs/dbraw/zinc/13/43/40/972134340.db2.gz RBRNWKRGAQAVDY-GFCCVEGCSA-N 2 0 243.354 1.831 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001246105765 972168419 /nfs/dbraw/zinc/16/84/19/972168419.db2.gz WXPPQQBRONYGOH-UMSGYPCISA-N 2 0 221.348 1.514 20 30 BDEDRP CCC[NH+](CCC)CCCNC(=[NH2+])NC(C)C ZINC000104177488 958809351 /nfs/dbraw/zinc/80/93/51/958809351.db2.gz KAUSDQAZMVONIT-UHFFFAOYSA-N 2 0 242.411 1.811 20 30 BDEDRP C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000692596175 960334343 /nfs/dbraw/zinc/33/43/43/960334343.db2.gz VSUMNCXXYBLROW-QWHCGFSZSA-N 2 0 208.349 1.862 20 30 BDEDRP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709383023 960552865 /nfs/dbraw/zinc/55/28/65/960552865.db2.gz GURUBJKHYBJLDM-YIONKMFJSA-N 2 0 241.338 1.931 20 30 BDEDRP CC#Cc1cncc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167882671 961464314 /nfs/dbraw/zinc/46/43/14/961464314.db2.gz VVBCXFWHCVQURK-UHFFFAOYSA-N 2 0 245.330 1.128 20 30 BDEDRP N#Cc1ccc(NCCC[NH2+]CCCC[NH3+])nc1 ZINC001162289386 964913766 /nfs/dbraw/zinc/91/37/66/964913766.db2.gz RRGJTNSCBUFXGC-UHFFFAOYSA-N 2 0 247.346 1.084 20 30 BDEDRP C=CC(N[C@@H]1CCC[C@H]([NH3+])C1)=[NH+]COC ZINC001162391529 964953736 /nfs/dbraw/zinc/95/37/36/964953736.db2.gz BMMFVPXVGCRVIJ-VHSXEESVSA-N 2 0 211.309 1.034 20 30 BDEDRP CN(C)/C=[NH+]/c1ccc(NOCC[NH3+])cc1C#N ZINC001164435315 965880507 /nfs/dbraw/zinc/88/05/07/965880507.db2.gz DCEUUDKZYYFDGH-OQLLNIDSSA-N 2 0 247.302 1.082 20 30 BDEDRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2[nH]ccc2C#N)CC1 ZINC001206318476 968224928 /nfs/dbraw/zinc/22/49/28/968224928.db2.gz QASYPOQVFWROGS-CQSZACIVSA-N 2 0 246.358 1.837 20 30 BDEDRP C#CCCC[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540183 968368915 /nfs/dbraw/zinc/36/89/15/968368915.db2.gz BBHAJSLHFPHXFK-CYBMUJFWSA-N 2 0 208.349 1.851 20 30 BDEDRP C=C(C)c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240834996 968743223 /nfs/dbraw/zinc/74/32/23/968743223.db2.gz IGTYLDIRXMRCNN-UHFFFAOYSA-N 2 0 203.289 1.524 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCC[NH+](CC)CC ZINC001252539222 968773511 /nfs/dbraw/zinc/77/35/11/968773511.db2.gz RANXNXVPRIRMQJ-GFCCVEGCSA-N 2 0 214.353 1.245 20 30 BDEDRP C#CC[NH+](CC#C)CCC1CC[NH+](C)CC1 ZINC001207487612 968802628 /nfs/dbraw/zinc/80/26/28/968802628.db2.gz NUARUJBEMDKOEG-UHFFFAOYSA-N 2 0 218.344 1.287 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001252581600 968835025 /nfs/dbraw/zinc/83/50/25/968835025.db2.gz IERBPBVCLYCROK-XQQFMLRXSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC001252615646 968875767 /nfs/dbraw/zinc/87/57/67/968875767.db2.gz BWYUOJBQAUDMNL-GFCCVEGCSA-N 2 0 228.380 1.491 20 30 BDEDRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001208113289 969010263 /nfs/dbraw/zinc/01/02/63/969010263.db2.gz HARFCGFJAHSXBE-ZDUSSCGKSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C[C@H](O)CN1CCC([N@H+](C)C2CC2)CC1 ZINC001253583977 969261221 /nfs/dbraw/zinc/26/12/21/969261221.db2.gz CGZXMPVKVFMGSB-ZDUSSCGKSA-N 2 0 224.348 1.092 20 30 BDEDRP C=C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001253604134 969301866 /nfs/dbraw/zinc/30/18/66/969301866.db2.gz GSTWDAACJKTXBK-CYBMUJFWSA-N 2 0 226.364 1.389 20 30 BDEDRP C#CCCC[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001209268522 969420290 /nfs/dbraw/zinc/42/02/90/969420290.db2.gz KIDBPGIVUZIYBX-CHWSQXEVSA-N 2 0 206.333 1.283 20 30 BDEDRP CC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254647729 969762407 /nfs/dbraw/zinc/76/24/07/969762407.db2.gz VEYVAEPQPAAKEK-GHMZBOCLSA-N 2 0 207.321 1.492 20 30 BDEDRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254667258 969775020 /nfs/dbraw/zinc/77/50/20/969775020.db2.gz BREJDGJLDMMSTI-KBPBESRZSA-N 2 0 235.375 1.952 20 30 BDEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254673729 969779666 /nfs/dbraw/zinc/77/96/66/969779666.db2.gz NWBARHVXAJJCSI-AAVRWANBSA-N 2 0 233.359 1.562 20 30 BDEDRP C[NH+]1CCC2(C[NH+]([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC001254673288 969780735 /nfs/dbraw/zinc/78/07/35/969780735.db2.gz ICVIOMBEJCLLNE-QWHCGFSZSA-N 2 0 233.359 1.706 20 30 BDEDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254676752 969784001 /nfs/dbraw/zinc/78/40/01/969784001.db2.gz NQTBCRZUWPAPGK-BYNSBNAKSA-N 2 0 247.386 1.952 20 30 BDEDRP N#Cc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222548351 972558326 /nfs/dbraw/zinc/55/83/26/972558326.db2.gz HLNAPWYRJQPCTF-UHFFFAOYSA-N 2 0 248.305 1.216 20 30 BDEDRP N#Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccn1 ZINC001222552705 972562896 /nfs/dbraw/zinc/56/28/96/972562896.db2.gz IHXUAXKYDDFXGH-UHFFFAOYSA-N 2 0 248.305 1.216 20 30 BDEDRP CC1(C#N)CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854974 973173025 /nfs/dbraw/zinc/17/30/25/973173025.db2.gz RRAFCPXBAWJHTP-RYSNWHEDSA-N 2 0 233.359 1.882 20 30 BDEDRP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001246863919 973193523 /nfs/dbraw/zinc/19/35/23/973193523.db2.gz SSUUKAWBIHWSSR-WYUUTHIRSA-N 2 0 205.305 1.102 20 30 BDEDRP C#C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112079 974373085 /nfs/dbraw/zinc/37/30/85/974373085.db2.gz STXGJKCCSNUGDK-FVCCEPFGSA-N 2 0 206.333 1.613 20 30 BDEDRP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(C#N)C1)C2 ZINC001172111607 974375712 /nfs/dbraw/zinc/37/57/12/974375712.db2.gz VTSWQBYWOWPGGR-MOIJGLSHSA-N 2 0 233.359 1.893 20 30 BDEDRP C[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC001336738779 977897391 /nfs/dbraw/zinc/89/73/91/977897391.db2.gz FBYCHDCLMJKWPM-ZDUSSCGKSA-N 2 0 234.347 1.361 20 30 BDEDRP C/C=C(\NC=[NH2+])c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240337253 981307532 /nfs/dbraw/zinc/30/75/32/981307532.db2.gz DGAOWJXTDJFFPG-VVHNFQOZSA-N 2 0 240.310 1.803 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001252574915 983829808 /nfs/dbraw/zinc/82/98/08/983829808.db2.gz SIWYRRDMYNTYOG-HNNXBMFYSA-N 2 0 248.370 1.775 20 30 BDEDRP C[C@H](C#N)OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000685997263 985029760 /nfs/dbraw/zinc/02/97/60/985029760.db2.gz CGTVRNQKAHAJRE-CHWSQXEVSA-N 2 0 239.363 1.189 20 30 BDEDRP C#CCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000686675500 985198881 /nfs/dbraw/zinc/19/88/81/985198881.db2.gz VDEOSHKKLYTTOM-STQMWFEESA-N 2 0 206.333 1.331 20 30 BDEDRP C=CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)COC ZINC000691844668 985699959 /nfs/dbraw/zinc/69/99/59/985699959.db2.gz LXFANCHWSFHUJT-UPJWGTAASA-N 2 0 226.364 1.365 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001253604914 986260816 /nfs/dbraw/zinc/26/08/16/986260816.db2.gz MUVZZEJQSXOONN-ZDUSSCGKSA-N 2 0 224.348 1.140 20 30 BDEDRP C=C[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001253609602 986278994 /nfs/dbraw/zinc/27/89/94/986278994.db2.gz WGUNDJALMNMSLZ-AWEZNQCLSA-N 2 0 247.342 1.187 20 30 BDEDRP N#C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001580040617 986449745 /nfs/dbraw/zinc/44/97/45/986449745.db2.gz LTLBNNIUYNLYFA-RNJOBUHISA-N 2 0 219.332 1.220 20 30 BDEDRP C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246018321 987303342 /nfs/dbraw/zinc/30/33/42/987303342.db2.gz AUSIFEIIDPXLSN-QWHCGFSZSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019467 987306806 /nfs/dbraw/zinc/30/68/06/987306806.db2.gz FKOUWPFWEXXWRQ-ZIAGYGMSSA-N 2 0 240.391 1.764 20 30 BDEDRP C=C[C@](C)(O)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246025293 987317992 /nfs/dbraw/zinc/31/79/92/987317992.db2.gz VZIWGMFPBSCQPW-RYUDHWBXSA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034429 987334520 /nfs/dbraw/zinc/33/45/20/987334520.db2.gz NMIDSWHORKIUFK-STQMWFEESA-N 2 0 226.364 1.374 20 30 BDEDRP [NH2+]=C(NC1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC001246213972 987610000 /nfs/dbraw/zinc/61/00/00/987610000.db2.gz GXZCXHNIWAAIPA-UHFFFAOYSA-N 2 0 238.722 1.192 20 30 BDEDRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC001246216118 987612665 /nfs/dbraw/zinc/61/26/65/987612665.db2.gz WMFGGEBGNWDXJY-VIFPVBQESA-N 2 0 238.722 1.192 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CC[NH2+]1 ZINC001246283251 987634299 /nfs/dbraw/zinc/63/42/99/987634299.db2.gz AXJVWXUNNIFIOH-RKDXNWHRSA-N 2 0 202.367 1.425 20 30 BDEDRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246311488 987710787 /nfs/dbraw/zinc/71/07/87/987710787.db2.gz DSWWHGJOKXTBDV-FZMZJTMJSA-N 2 0 231.343 1.816 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246474678 987832019 /nfs/dbraw/zinc/83/20/19/987832019.db2.gz AIZPDHVHRWPGKX-RHYQMDGZSA-N 2 0 225.311 1.216 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246475360 987832444 /nfs/dbraw/zinc/83/24/44/987832444.db2.gz GNUNBRDWNWHVCN-KKOKHZNYSA-N 2 0 207.321 1.538 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@](C)([NH3+])C1 ZINC001246529867 987887231 /nfs/dbraw/zinc/88/72/31/987887231.db2.gz MJQPEZYGAYFOBX-IUODEOHRSA-N 2 0 243.354 1.912 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246590890 988165322 /nfs/dbraw/zinc/16/53/22/988165322.db2.gz IKDMRHXWECTMKK-JHJVBQTASA-N 2 0 221.348 1.739 20 30 BDEDRP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)CC[NH2+]1 ZINC001246796686 988469067 /nfs/dbraw/zinc/46/90/67/988469067.db2.gz KCVDKUJFUMGBAW-AGIUHOORSA-N 2 0 221.348 1.753 20 30 BDEDRP C[C@H](CCCC#N)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246855152 988583080 /nfs/dbraw/zinc/58/30/80/988583080.db2.gz SXVROLCPRLUIPN-UTUOFQBUSA-N 2 0 207.321 1.492 20 30 BDEDRP C=CCC[C@@H](C)N(CCC[NH3+])CCC[NH+](C)C ZINC001258722942 991656775 /nfs/dbraw/zinc/65/67/75/991656775.db2.gz WPSAIXMUEVCYNC-CQSZACIVSA-N 2 0 241.423 1.944 20 30 BDEDRP CCC[NH+]1CCC([NH2+]CCCS)CC1 ZINC001258768348 991731290 /nfs/dbraw/zinc/73/12/90/991731290.db2.gz KKAZYAJNPZUBKU-UHFFFAOYSA-N 2 0 216.394 1.770 20 30 BDEDRP C=C(C)C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001574836474 992921547 /nfs/dbraw/zinc/92/15/47/992921547.db2.gz ZFFFZXOLUGRHLF-UHFFFAOYSA-N 2 0 249.358 1.697 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC001263109947 993120818 /nfs/dbraw/zinc/12/08/18/993120818.db2.gz KIMJWABDLKTEHO-LLVKDONJSA-N 2 0 239.363 1.010 20 30 BDEDRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000380315889 993326669 /nfs/dbraw/zinc/32/66/69/993326669.db2.gz IXIOYCVQNUJCDJ-TUAOUCFPSA-N 2 0 207.321 1.220 20 30 BDEDRP C[C@H](CCC#N)C[NH+]1CCC([NH+](C)C)CC1 ZINC000602443617 349545234 /nfs/dbraw/zinc/54/52/34/349545234.db2.gz GQJVYVJTNFMFFN-GFCCVEGCSA-N 2 0 223.364 1.952 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000231798706 342693865 /nfs/dbraw/zinc/69/38/65/342693865.db2.gz FFXDUDCHTCLTSS-NWDGAFQWSA-N 2 0 212.337 1.439 20 30 BDEDRP C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000602670615 349665915 /nfs/dbraw/zinc/66/59/15/349665915.db2.gz AFESIRMOVIFWDN-KGLIPLIRSA-N 2 0 235.375 1.954 20 30 BDEDRP C[NH2+]CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000600708105 344360805 /nfs/dbraw/zinc/36/08/05/344360805.db2.gz CKFOSLGWIRUKDU-UHFFFAOYSA-N 2 0 239.363 1.284 20 30 BDEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000600714516 344362288 /nfs/dbraw/zinc/36/22/88/344362288.db2.gz TXKYHFZLBLGJST-MOENNCHZSA-N 2 0 207.321 1.410 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000156475894 345163114 /nfs/dbraw/zinc/16/31/14/345163114.db2.gz MMRXMLZAHUQEPP-KGLIPLIRSA-N 2 0 220.360 1.816 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000591576921 347676852 /nfs/dbraw/zinc/67/68/52/347676852.db2.gz PQTVUPVGGLHCQB-QWHCGFSZSA-N 2 0 221.348 1.658 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000592439037 347779068 /nfs/dbraw/zinc/77/90/68/347779068.db2.gz YCUGLQYUJYFUNP-XHJNMGKDSA-N 2 0 233.359 1.656 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000596652418 348606843 /nfs/dbraw/zinc/60/68/43/348606843.db2.gz UEWWAOJFAJAFJN-GJZGRUSLSA-N 2 0 243.354 1.818 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000596652419 348607109 /nfs/dbraw/zinc/60/71/09/348607109.db2.gz UEWWAOJFAJAFJN-HUUCEWRRSA-N 2 0 243.354 1.818 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336752437 353083778 /nfs/dbraw/zinc/08/37/78/353083778.db2.gz GVYXOHZVIWJCSR-NWDGAFQWSA-N 2 0 212.337 1.119 20 30 BDEDRP C=CCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129350219 353314213 /nfs/dbraw/zinc/31/42/13/353314213.db2.gz DQWBZWPQFKOZTJ-CYBMUJFWSA-N 2 0 224.348 1.217 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000181099954 353419885 /nfs/dbraw/zinc/41/98/85/353419885.db2.gz LQFHPDBKDSLMFC-CYBMUJFWSA-N 2 0 237.347 1.532 20 30 BDEDRP C=CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350182035 355621144 /nfs/dbraw/zinc/62/11/44/355621144.db2.gz WESIVNBYHCZFEZ-CYBMUJFWSA-N 2 0 226.364 1.605 20 30 BDEDRP N#CCc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000399279803 355903828 /nfs/dbraw/zinc/90/38/28/355903828.db2.gz WYULBRMPLZTODS-HUUCEWRRSA-N 2 0 241.338 1.404 20 30 BDEDRP C=CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331952 192214303 /nfs/dbraw/zinc/21/43/03/192214303.db2.gz MXKRAXZDEZDQOW-OLZOCXBDSA-N 2 0 224.348 1.391 20 30 BDEDRP C=CCCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423016321 192541898 /nfs/dbraw/zinc/54/18/98/192541898.db2.gz SVRJNWBMLJZCMG-UHFFFAOYSA-N 2 0 226.364 1.686 20 30 BDEDRP C=C(C)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336510794 134148818 /nfs/dbraw/zinc/14/88/18/134148818.db2.gz NPMZJIMDZBHPNW-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP CC#CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889843 134241161 /nfs/dbraw/zinc/24/11/61/134241161.db2.gz LKXPTTWRGMQXRB-OAHLLOKOSA-N 2 0 249.402 1.110 20 30 BDEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000350174326 358033163 /nfs/dbraw/zinc/03/31/63/358033163.db2.gz BHGHSVDDQVCVMF-UHFFFAOYSA-N 2 0 247.342 1.925 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090451317 491127615 /nfs/dbraw/zinc/12/76/15/491127615.db2.gz GHVJDQAYUYIOJN-ZDUSSCGKSA-N 2 0 240.391 1.899 20 30 BDEDRP N#CC1(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000611430425 359369197 /nfs/dbraw/zinc/36/91/97/359369197.db2.gz MVMZADBCAXAGSK-UHFFFAOYSA-N 2 0 242.326 1.507 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387975 361040220 /nfs/dbraw/zinc/04/02/20/361040220.db2.gz OOIPRKAYKRHVFP-NSHDSACASA-N 2 0 212.337 1.439 20 30 BDEDRP NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000195523152 181322399 /nfs/dbraw/zinc/32/23/99/181322399.db2.gz OWIPZIHATFQYLJ-UHFFFAOYSA-N 2 0 246.358 1.172 20 30 BDEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000271814075 364748413 /nfs/dbraw/zinc/74/84/13/364748413.db2.gz NXVKJQDRJCAYQR-UHFFFAOYSA-N 2 0 244.342 1.675 20 30 BDEDRP N#CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000574637901 365109070 /nfs/dbraw/zinc/10/90/70/365109070.db2.gz KZZQOQHBWUTYIW-CABCVRRESA-N 2 0 243.354 1.970 20 30 BDEDRP Cc1cc(C[NH2+]CCn2ccnc2)ccc1C#N ZINC000443960976 193031366 /nfs/dbraw/zinc/03/13/66/193031366.db2.gz DLLSUZBXBBADIY-UHFFFAOYSA-N 2 0 240.310 1.853 20 30 BDEDRP CNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000069672650 368758093 /nfs/dbraw/zinc/75/80/93/368758093.db2.gz MKBUUNMOUYCKLU-LLVKDONJSA-N 2 0 248.374 1.650 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000600769279 369563211 /nfs/dbraw/zinc/56/32/11/369563211.db2.gz LDDZETLWCDWEBD-VHSXEESVSA-N 2 0 219.288 1.511 20 30 BDEDRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C#N ZINC000601326238 369621651 /nfs/dbraw/zinc/62/16/51/369621651.db2.gz KWXNJMYJWXQOTP-SWLSCSKDSA-N 2 0 243.354 1.893 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000126865109 384182177 /nfs/dbraw/zinc/18/21/77/384182177.db2.gz TWFUKUXTMNPMJH-SMDDNHRTSA-N 2 0 229.327 1.727 20 30 BDEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000335452276 384291871 /nfs/dbraw/zinc/29/18/71/384291871.db2.gz MWBFATCDSMMTTD-OAHLLOKOSA-N 2 0 241.338 1.887 20 30 BDEDRP C#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372387154 533056892 /nfs/dbraw/zinc/05/68/92/533056892.db2.gz ZOADJCPISIGCTE-MGPQQGTHSA-N 2 0 218.344 1.426 20 30 BDEDRP C#CC[N@H+](CC#CC)CCCc1cncn1C ZINC000491429940 384835512 /nfs/dbraw/zinc/83/55/12/384835512.db2.gz WOSNVTXXTDBSII-UHFFFAOYSA-N 2 0 229.327 1.311 20 30 BDEDRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CC[N@@H+]1C ZINC000414175988 386019159 /nfs/dbraw/zinc/01/91/59/386019159.db2.gz ZYDBSMFRAJMQTL-NEPJUHHUSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334453974 386104095 /nfs/dbraw/zinc/10/40/95/386104095.db2.gz MOBWLXXSDZLVBS-KGLIPLIRSA-N 2 0 237.391 1.130 20 30 BDEDRP C[N@@H+]1CCC[C@@H]2CN(CC3(C#N)CC3)CC[C@H]21 ZINC000334460949 386123447 /nfs/dbraw/zinc/12/34/47/386123447.db2.gz VIRLKAWDWBBJEY-CHWSQXEVSA-N 2 0 233.359 1.706 20 30 BDEDRP C#C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000123126171 386532694 /nfs/dbraw/zinc/53/26/94/386532694.db2.gz MPZDACANJMSSAC-LBPRGKRZSA-N 2 0 229.327 1.662 20 30 BDEDRP Cc1cc(NCC[N@@H+](C)C2CC2)c(C#N)cn1 ZINC000399386576 386783377 /nfs/dbraw/zinc/78/33/77/386783377.db2.gz QSHUKBCONYUWGR-UHFFFAOYSA-N 2 0 230.315 1.190 20 30 BDEDRP C[NH+](C)CCOCC[NH2+]CC(C)(C)CCC#N ZINC000230004787 387223839 /nfs/dbraw/zinc/22/38/39/387223839.db2.gz BOXCNSOTSIZBKP-UHFFFAOYSA-N 2 0 241.379 1.484 20 30 BDEDRP N#CCCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422977481 387789219 /nfs/dbraw/zinc/78/92/19/387789219.db2.gz WUYVPDKCGDRMIV-NEPJUHHUSA-N 2 0 209.337 1.930 20 30 BDEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442724547 387830766 /nfs/dbraw/zinc/83/07/66/387830766.db2.gz ZPLBIIBCNKINFF-QWHCGFSZSA-N 2 0 239.363 1.237 20 30 BDEDRP C=CCCOCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423015236 387838586 /nfs/dbraw/zinc/83/85/86/387838586.db2.gz QNHUURAATBBYEP-WDEREUQCSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423016141 387839290 /nfs/dbraw/zinc/83/92/90/387839290.db2.gz LYPSGHUXNBDQIO-XQQFMLRXSA-N 2 0 226.364 1.278 20 30 BDEDRP CC1=CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442854951 387851386 /nfs/dbraw/zinc/85/13/86/387851386.db2.gz PDPHMQGGYNTVFT-ZIAGYGMSSA-N 2 0 233.359 1.920 20 30 BDEDRP C=CCOCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000643479572 387851547 /nfs/dbraw/zinc/85/15/47/387851547.db2.gz TYIBAENWJIADAB-UHFFFAOYSA-N 2 0 212.337 1.296 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423131128 387907396 /nfs/dbraw/zinc/90/73/96/387907396.db2.gz ZGELFEWDYIJRAZ-XQQFMLRXSA-N 2 0 226.364 1.434 20 30 BDEDRP CNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165031 387907575 /nfs/dbraw/zinc/90/75/75/387907575.db2.gz YQLXYQUGVDCUJJ-CYBMUJFWSA-N 2 0 246.358 1.043 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423151353 387930749 /nfs/dbraw/zinc/93/07/49/387930749.db2.gz JYLDQMCCSJOGSC-KKOKHZNYSA-N 2 0 212.337 1.435 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423154586 387934542 /nfs/dbraw/zinc/93/45/42/387934542.db2.gz PAXWMWSPYNSGAA-TUAOUCFPSA-N 2 0 212.337 1.437 20 30 BDEDRP CC(C)(CC#N)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423170194 387954769 /nfs/dbraw/zinc/95/47/69/387954769.db2.gz LGCICEKXDOQEBX-QWRGUYRKSA-N 2 0 209.337 1.643 20 30 BDEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000423172783 387960010 /nfs/dbraw/zinc/96/00/10/387960010.db2.gz VFMSIGWUSFNTCQ-RYUDHWBXSA-N 2 0 223.364 1.904 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000424299970 387961056 /nfs/dbraw/zinc/96/10/56/387961056.db2.gz WJMDWJIIMLVWDQ-RFGFWPKPSA-N 2 0 238.375 1.507 20 30 BDEDRP C=CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104823 388143555 /nfs/dbraw/zinc/14/35/55/388143555.db2.gz ZAXQGVNCQZDRSX-UHFFFAOYSA-N 2 0 224.348 1.359 20 30 BDEDRP C[NH+]1CCC(CC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000516922478 388524650 /nfs/dbraw/zinc/52/46/50/388524650.db2.gz DFQNGVYPWYZFJX-AWEZNQCLSA-N 2 0 248.374 1.751 20 30 BDEDRP C[C@H](CCC[NH3+])[NH2+]CCc1cccc(C#N)c1 ZINC000423102652 388688114 /nfs/dbraw/zinc/68/81/14/388688114.db2.gz OKDYEXCSQKJLNR-GFCCVEGCSA-N 2 0 231.343 1.818 20 30 BDEDRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423198376 388688365 /nfs/dbraw/zinc/68/83/65/388688365.db2.gz FOOSBMLJKVOBDN-LLVKDONJSA-N 2 0 217.316 1.818 20 30 BDEDRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(C#N)c1 ZINC000423224971 388690334 /nfs/dbraw/zinc/69/03/34/388690334.db2.gz KSUBXILMUHOMEN-WDEREUQCSA-N 2 0 217.316 1.946 20 30 BDEDRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423315272 388691323 /nfs/dbraw/zinc/69/13/23/388691323.db2.gz ZKGDBQQGJZMILU-IINYFYTJSA-N 2 0 229.327 1.730 20 30 BDEDRP CC#CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889834 134241394 /nfs/dbraw/zinc/24/13/94/134241394.db2.gz LKXPTTWRGMQXRB-HNNXBMFYSA-N 2 0 249.402 1.110 20 30 BDEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC#N)CC[C@H]21 ZINC000227336432 134378109 /nfs/dbraw/zinc/37/81/09/134378109.db2.gz MLXGKGVAULIJDT-CHWSQXEVSA-N 2 0 221.348 1.706 20 30 BDEDRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)cc1C#N ZINC000189591046 134548629 /nfs/dbraw/zinc/54/86/29/134548629.db2.gz QTEPVROJOAQCBG-UHFFFAOYSA-N 2 0 246.358 1.328 20 30 BDEDRP C=CCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000338549523 135038415 /nfs/dbraw/zinc/03/84/15/135038415.db2.gz SAEXIIPXYTVLNQ-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP C=C(Cl)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262348952 135117512 /nfs/dbraw/zinc/11/75/12/135117512.db2.gz DUDIMYWPNCTNEA-JTQLQIEISA-N 2 0 244.770 1.128 20 30 BDEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC)c1 ZINC000264066416 135131279 /nfs/dbraw/zinc/13/12/79/135131279.db2.gz BLHCRBCWIXMGEQ-UHFFFAOYSA-N 2 0 248.374 1.563 20 30 BDEDRP C=CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261559009 135199275 /nfs/dbraw/zinc/19/92/75/135199275.db2.gz YTFZLPWAHALYQY-CYBMUJFWSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341871920 135243884 /nfs/dbraw/zinc/24/38/84/135243884.db2.gz DJECFRZYDVCKKQ-YIYPIFLZSA-N 2 0 240.391 1.489 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000261902792 135261743 /nfs/dbraw/zinc/26/17/43/135261743.db2.gz WLBPVAOWWYPMLE-GFCCVEGCSA-N 2 0 238.379 1.197 20 30 BDEDRP CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262784170 135318254 /nfs/dbraw/zinc/31/82/54/135318254.db2.gz JKQNDYCAENILIE-IJLUTSLNSA-N 2 0 238.379 1.174 20 30 BDEDRP C=CCOCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000347971810 136022854 /nfs/dbraw/zinc/02/28/54/136022854.db2.gz YSOVXZJIRVXOQY-UHFFFAOYSA-N 2 0 240.391 1.853 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000320975274 398035062 /nfs/dbraw/zinc/03/50/62/398035062.db2.gz HCMYQEWNFQDSBW-MCIONIFRSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000665262882 410736576 /nfs/dbraw/zinc/73/65/76/410736576.db2.gz AVMOFENJFPCQLK-STQMWFEESA-N 2 0 226.364 1.557 20 30 BDEDRP C=C(C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400909737 411165597 /nfs/dbraw/zinc/16/55/97/411165597.db2.gz AZAPVUYZOYPDTC-JHJVBQTASA-N 2 0 208.349 1.930 20 30 BDEDRP C(#CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661967162 411923637 /nfs/dbraw/zinc/92/36/37/411923637.db2.gz CDDTUSLXIKAALI-GEEKYZPCSA-N 2 0 244.382 1.673 20 30 BDEDRP C=C(C)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152319 412008127 /nfs/dbraw/zinc/00/81/27/412008127.db2.gz RNEOVRCOZUVNKG-AWEZNQCLSA-N 2 0 238.375 1.484 20 30 BDEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662218136 412030020 /nfs/dbraw/zinc/03/00/20/412030020.db2.gz VIESCMFEHREOCA-LBPRGKRZSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665263763 412208064 /nfs/dbraw/zinc/20/80/64/412208064.db2.gz UHFJIHZWBWYQFQ-NEPJUHHUSA-N 2 0 212.337 1.309 20 30 BDEDRP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000163476139 177165230 /nfs/dbraw/zinc/16/52/30/177165230.db2.gz YNVBCCXMCHUDAC-WFASDCNBSA-N 2 0 243.354 1.975 20 30 BDEDRP C=CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361679 487932955 /nfs/dbraw/zinc/93/29/55/487932955.db2.gz MIFSHPYJNVSQIQ-BFHYXJOUSA-N 2 0 238.375 1.923 20 30 BDEDRP C=CCCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000568051360 326300813 /nfs/dbraw/zinc/30/08/13/326300813.db2.gz GCMRERCECSMRHZ-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678774689 488282259 /nfs/dbraw/zinc/28/22/59/488282259.db2.gz CBVJSJJUKQZDKJ-CHWSQXEVSA-N 2 0 240.391 1.491 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000341888217 534403520 /nfs/dbraw/zinc/40/35/20/534403520.db2.gz QBHSTLOZGCGRJX-IHRRRGAJSA-N 2 0 240.391 1.491 20 30 BDEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262352823 535134116 /nfs/dbraw/zinc/13/41/16/535134116.db2.gz FKMLPPNUSUJWEF-GFCCVEGCSA-N 2 0 240.395 1.277 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC[C@@H]1C ZINC000262632626 535548995 /nfs/dbraw/zinc/54/89/95/535548995.db2.gz GAPZMJGOIJXACE-TUAOUCFPSA-N 2 0 238.379 1.174 20 30 BDEDRP C=CCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039525 582838515 /nfs/dbraw/zinc/83/85/15/582838515.db2.gz DBFZBIZTNJYWCC-UHFFFAOYSA-N 2 0 224.352 1.161 20 30 BDEDRP CCN(CC)C(=[NH2+])NCCC[NH+](CC)CC ZINC000104153377 583110861 /nfs/dbraw/zinc/11/08/61/583110861.db2.gz OHEDRMHDZBWIPZ-UHFFFAOYSA-N 2 0 228.384 1.375 20 30 BDEDRP C#C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895204570 583625072 /nfs/dbraw/zinc/62/50/72/583625072.db2.gz DTDSEXTXSPODKQ-CYBMUJFWSA-N 2 0 220.360 1.673 20 30 BDEDRP C#CC[C@H](CCOC)[NH2+]CC1CC[NH+](C)CC1 ZINC000895671189 583706343 /nfs/dbraw/zinc/70/63/43/583706343.db2.gz FMUCHQCRZABBNX-CQSZACIVSA-N 2 0 238.375 1.346 20 30 BDEDRP C#CC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335464 588943684 /nfs/dbraw/zinc/94/36/84/588943684.db2.gz YTCYAGMGXQQAQS-STQMWFEESA-N 2 0 238.375 1.487 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858335463 588944028 /nfs/dbraw/zinc/94/40/28/588944028.db2.gz YTCYAGMGXQQAQS-QWHCGFSZSA-N 2 0 238.375 1.487 20 30 BDEDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(C#N)ccn1 ZINC000902780365 584669771 /nfs/dbraw/zinc/66/97/71/584669771.db2.gz GJWCWRKUCLSJTN-LBPRGKRZSA-N 2 0 246.358 1.946 20 30 BDEDRP N#CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903033533 584718655 /nfs/dbraw/zinc/71/86/55/584718655.db2.gz WRAFXLCGQFRRFN-OLZOCXBDSA-N 2 0 233.359 1.897 20 30 BDEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000903422617 584764369 /nfs/dbraw/zinc/76/43/69/584764369.db2.gz GMIZGJBKXHSIMP-CYBMUJFWSA-N 2 0 243.354 1.956 20 30 BDEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422618 584764626 /nfs/dbraw/zinc/76/46/26/584764626.db2.gz GMIZGJBKXHSIMP-ZDUSSCGKSA-N 2 0 243.354 1.956 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000903563700 584782472 /nfs/dbraw/zinc/78/24/72/584782472.db2.gz JSBSBSGAWQJEBS-NWDGAFQWSA-N 2 0 207.321 1.222 20 30 BDEDRP C=CC[NH+](CC=C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716842 584791871 /nfs/dbraw/zinc/79/18/71/584791871.db2.gz CRCTUJASVPKPQV-KBPBESRZSA-N 2 0 236.359 1.429 20 30 BDEDRP C[N@H+](CCOCC[NH3+])Cc1cc(C#N)cs1 ZINC000903826296 584804892 /nfs/dbraw/zinc/80/48/92/584804892.db2.gz HMDDNQBQZKUDOO-UHFFFAOYSA-N 2 0 239.344 1.027 20 30 BDEDRP C=CCCC[N@@H+](CC)CCOCC[NH3+] ZINC000903850195 584808387 /nfs/dbraw/zinc/80/83/87/584808387.db2.gz LYWKHOWUNCBEFB-UHFFFAOYSA-N 2 0 200.326 1.250 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1C[NH3+] ZINC000904411364 584879772 /nfs/dbraw/zinc/87/97/72/584879772.db2.gz UWFQWRAUCJFMDM-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP C#C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000809683770 586512439 /nfs/dbraw/zinc/51/24/39/586512439.db2.gz ONEXWBVXXNJFGJ-CYBMUJFWSA-N 2 0 246.354 1.738 20 30 BDEDRP C#CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815143865 586669693 /nfs/dbraw/zinc/66/96/93/586669693.db2.gz OSWDGXXYWVYRDR-AWEZNQCLSA-N 2 0 220.360 1.818 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000817931890 586842588 /nfs/dbraw/zinc/84/25/88/586842588.db2.gz OOPQVVULLHRPHD-GXTWGEPZSA-N 2 0 244.342 1.560 20 30 BDEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000817938521 586843844 /nfs/dbraw/zinc/84/38/44/586843844.db2.gz MDLQRXLHDBYIAT-GFCCVEGCSA-N 2 0 232.327 1.698 20 30 BDEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000817961603 586852884 /nfs/dbraw/zinc/85/28/84/586852884.db2.gz AKBAKZGHADSFMD-STQMWFEESA-N 2 0 246.354 1.944 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817963634 586854445 /nfs/dbraw/zinc/85/44/45/586854445.db2.gz WRACOCUEECHTFC-NEPJUHHUSA-N 2 0 247.342 1.834 20 30 BDEDRP C#C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000847021324 588302665 /nfs/dbraw/zinc/30/26/65/588302665.db2.gz JNAZGGLJHLUYEL-ZIAGYGMSSA-N 2 0 220.360 1.816 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCCCCC2)N1 ZINC000848981515 588423570 /nfs/dbraw/zinc/42/35/70/588423570.db2.gz KRSWMDXVYIZSIE-GFCCVEGCSA-N 2 0 238.379 1.190 20 30 BDEDRP C[NH+]=C(NC[C@@H](C)C[NH+]1CCCC1)NC1CC1 ZINC000848994651 588428771 /nfs/dbraw/zinc/42/87/71/588428771.db2.gz SZQFEEKDHFEHNQ-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C#CCOCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852107347 588663980 /nfs/dbraw/zinc/66/39/80/588663980.db2.gz KXNIYVSRYQRIDX-CQSZACIVSA-N 2 0 236.359 1.054 20 30 BDEDRP C[N@H+](CCOCC[NH3+])CCc1cccc(C#N)c1 ZINC000866698054 589512890 /nfs/dbraw/zinc/51/28/90/589512890.db2.gz LRRJTMFKBHYPIH-UHFFFAOYSA-N 2 0 247.342 1.008 20 30 BDEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CC[NH2+]C1 ZINC000866698459 589512917 /nfs/dbraw/zinc/51/29/17/589512917.db2.gz VQEURXGKOXINAX-HNNXBMFYSA-N 2 0 243.354 1.642 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873251697 590008754 /nfs/dbraw/zinc/00/87/54/590008754.db2.gz NNYOSMYNLBSRBK-NNYUYHANSA-N 2 0 207.321 1.396 20 30 BDEDRP C=CC[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000878667925 590606638 /nfs/dbraw/zinc/60/66/38/590606638.db2.gz FMVPOTHQHYYZSK-CYBMUJFWSA-N 2 0 240.391 1.776 20 30 BDEDRP C[C@H]1C[N@H+](CCCC#N)CCN1c1cc[nH+]cc1 ZINC000880259414 590980002 /nfs/dbraw/zinc/98/00/02/590980002.db2.gz SDJJOMQJPVOTEH-ZDUSSCGKSA-N 2 0 244.342 1.896 20 30 BDEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000883431823 591663165 /nfs/dbraw/zinc/66/31/65/591663165.db2.gz DVIHNQYJCWJXQF-YPMHNXCESA-N 2 0 249.362 1.338 20 30 BDEDRP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(CC)c2)C1 ZINC000884610531 591993834 /nfs/dbraw/zinc/99/38/34/591993834.db2.gz OSYPSNLPNLKOOK-HNNXBMFYSA-N 2 0 243.354 1.575 20 30 BDEDRP CCCNC(=[NH2+])NCC1CC[NH+](CCC)CC1 ZINC000104177515 592603452 /nfs/dbraw/zinc/60/34/52/592603452.db2.gz ZLOVDCBBJKPSAS-UHFFFAOYSA-N 2 0 240.395 1.423 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCC)C1 ZINC000104179706 592603564 /nfs/dbraw/zinc/60/35/64/592603564.db2.gz XHCBDMSEBMLKLM-GFCCVEGCSA-N 2 0 238.379 1.199 20 30 BDEDRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1)[NH2+]2 ZINC000925702772 634378458 /nfs/dbraw/zinc/37/84/58/634378458.db2.gz DLAULJDVDXZAQB-QQOHENMQSA-N 2 0 233.359 1.797 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N(CC)CC)C1 ZINC000104179654 634589878 /nfs/dbraw/zinc/58/98/78/634589878.db2.gz KTBUYJUXXHPNTP-GFCCVEGCSA-N 2 0 240.395 1.375 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000925882480 635610071 /nfs/dbraw/zinc/61/00/71/635610071.db2.gz NAFGVROYEJMQQH-XQHKEYJVSA-N 2 0 221.348 1.786 20 30 BDEDRP CCNC(NCC[NH+]1CCCCCC1)=[NH+]CC ZINC000066245406 632860650 /nfs/dbraw/zinc/86/06/50/632860650.db2.gz BTQLJBIIYRDXSV-UHFFFAOYSA-N 2 0 240.395 1.437 20 30 BDEDRP C=C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926728990 632893630 /nfs/dbraw/zinc/89/36/30/632893630.db2.gz XYLFTPBJWINCIO-IUODEOHRSA-N 2 0 248.370 1.946 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647675 634202513 /nfs/dbraw/zinc/20/25/13/634202513.db2.gz FEZCRNUZZHVFMM-UTUOFQBUSA-N 2 0 226.364 1.419 20 30 BDEDRP CC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000194684745 634330510 /nfs/dbraw/zinc/33/05/10/634330510.db2.gz OYEZAPLSKHSPCI-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925815094 635380549 /nfs/dbraw/zinc/38/05/49/635380549.db2.gz SZBKBYCCTRBPLP-BXUZGUMPSA-N 2 0 247.317 1.914 20 30 BDEDRP CC[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000305824577 636333487 /nfs/dbraw/zinc/33/34/87/636333487.db2.gz QNWSMJCOCPRVJO-NSHDSACASA-N 2 0 238.379 1.270 20 30 BDEDRP N#C[C@H]1CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903564505 637368557 /nfs/dbraw/zinc/36/85/57/637368557.db2.gz XWIDLWXRJQRJAM-QJPTWQEYSA-N 2 0 207.321 1.349 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911834526 639844940 /nfs/dbraw/zinc/84/49/40/639844940.db2.gz VPQDBZNZNVDRNU-YPMHNXCESA-N 2 0 241.379 1.160 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911834521 639845045 /nfs/dbraw/zinc/84/50/45/639845045.db2.gz VPQDBZNZNVDRNU-AAEUAGOBSA-N 2 0 241.379 1.160 20 30 BDEDRP CCC#C[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482710 640233522 /nfs/dbraw/zinc/23/35/22/640233522.db2.gz NOWDSQCZGONVSC-CYBMUJFWSA-N 2 0 238.375 1.177 20 30 BDEDRP C#CC[N@@H+](CCCn1ccnc1)C(C)C ZINC000932387203 640515605 /nfs/dbraw/zinc/51/56/05/640515605.db2.gz BGDOIDUGYNPZBR-UHFFFAOYSA-N 2 0 205.305 1.617 20 30 BDEDRP C=CCSCC[NH2+]CC1CC[NH+](C)CC1 ZINC000231933132 641216928 /nfs/dbraw/zinc/21/69/28/641216928.db2.gz YIEFBFJKTPZBFG-UHFFFAOYSA-N 2 0 228.405 1.837 20 30 BDEDRP CCCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305808286 642702193 /nfs/dbraw/zinc/70/21/93/642702193.db2.gz HPENRJPAEXUVEV-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000923288808 644323537 /nfs/dbraw/zinc/32/35/37/644323537.db2.gz CLKSOPLWQBQARB-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923326164 644352682 /nfs/dbraw/zinc/35/26/82/644352682.db2.gz FSRZEJMYYPBQDJ-CYBMUJFWSA-N 2 0 238.375 1.389 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923343036 644363094 /nfs/dbraw/zinc/36/30/94/644363094.db2.gz BFMAZFVGGRYVDQ-FRRDWIJNSA-N 2 0 226.364 1.373 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387259 644397935 /nfs/dbraw/zinc/39/79/35/644397935.db2.gz HWVLSZOIWCAPQM-MJBXVCDLSA-N 2 0 238.375 1.374 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923387950 644398917 /nfs/dbraw/zinc/39/89/17/644398917.db2.gz PGZPQWSBOMBHBJ-CYBMUJFWSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455313 644436141 /nfs/dbraw/zinc/43/61/41/644436141.db2.gz SKRBKRYIKMDICK-LBPRGKRZSA-N 2 0 224.348 1.392 20 30 BDEDRP CCCCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923465301 644443379 /nfs/dbraw/zinc/44/33/79/644443379.db2.gz BNUFPQOLZHNAFV-UHFFFAOYSA-N 2 0 227.396 1.452 20 30 BDEDRP CCC[N@@H+]1CC[C@H](CNC(NCC)=[NH+]CC)C1 ZINC000303260472 644813120 /nfs/dbraw/zinc/81/31/20/644813120.db2.gz NEBNXWJIMXWNDQ-GFCCVEGCSA-N 2 0 240.395 1.293 20 30 BDEDRP CC[NH+](CC)[C@H](C)C[NH+]=C(N(C)C)N(C)C ZINC000303901550 644856285 /nfs/dbraw/zinc/85/62/85/644856285.db2.gz STVZDWHEHVICCW-LLVKDONJSA-N 2 0 228.384 1.196 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303896177 644856656 /nfs/dbraw/zinc/85/66/56/644856656.db2.gz PUFJHWQFHWXANA-NSHDSACASA-N 2 0 238.379 1.175 20 30 BDEDRP C=CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849023910 645447362 /nfs/dbraw/zinc/44/73/62/645447362.db2.gz LLOHJRGQRXBBJD-GFCCVEGCSA-N 2 0 238.379 1.551 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549973 646325920 /nfs/dbraw/zinc/32/59/20/646325920.db2.gz OKCVQWZIIXRERE-JSGCOSHPSA-N 2 0 237.391 1.367 20 30 BDEDRP C[C@H](CCC#N)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570172 712252205 /nfs/dbraw/zinc/25/22/05/712252205.db2.gz BQRRTCUKJMTOQC-GFCCVEGCSA-N 2 0 239.363 1.067 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000716853495 712578541 /nfs/dbraw/zinc/57/85/41/712578541.db2.gz AGSFFHGJIXVZNT-MGPQQGTHSA-N 2 0 236.359 1.241 20 30 BDEDRP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723881561 710732436 /nfs/dbraw/zinc/73/24/36/710732436.db2.gz ADUZKOJACKWRBT-PSASIEDQSA-N 2 0 202.729 1.656 20 30 BDEDRP CCC#C[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440418 711714428 /nfs/dbraw/zinc/71/44/28/711714428.db2.gz UWLKIMHYHUEFNN-MELADBBJSA-N 2 0 220.360 1.672 20 30 BDEDRP N#CC1CCC(C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 ZINC000923480122 712334734 /nfs/dbraw/zinc/33/47/34/712334734.db2.gz VTMLUMNACPXVQF-RUXDESIVSA-N 2 0 235.375 1.987 20 30 BDEDRP C=CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000715003955 712503830 /nfs/dbraw/zinc/50/38/30/712503830.db2.gz YFOSENQRYXBJAT-IJLUTSLNSA-N 2 0 212.337 1.247 20 30 BDEDRP C#CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000716846034 712578298 /nfs/dbraw/zinc/57/82/98/712578298.db2.gz JXECIAGXRFTVNR-RLAWYHOSSA-N 2 0 236.359 1.240 20 30 BDEDRP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(C)c2)C1 ZINC000884611957 712647724 /nfs/dbraw/zinc/64/77/24/712647724.db2.gz ZQDJULREYYUOHF-AWEZNQCLSA-N 2 0 229.327 1.321 20 30 BDEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000717726542 712667585 /nfs/dbraw/zinc/66/75/85/712667585.db2.gz CKJZOCLFAWDXDP-AWEZNQCLSA-N 2 0 238.375 1.225 20 30 BDEDRP C[NH+](C)CC(C)(C)C[NH+]1CCC(S)CC1 ZINC001207283133 968716014 /nfs/dbraw/zinc/71/60/14/968716014.db2.gz SUTCLCVUGXTUCJ-UHFFFAOYSA-N 2 0 230.421 1.968 20 30 BDEDRP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252557509 968801572 /nfs/dbraw/zinc/80/15/72/968801572.db2.gz MUVXRWLYYHVYFQ-IHRRRGAJSA-N 2 0 238.375 1.197 20 30 BDEDRP CC[N@H+](CCC#N)CC1(C)CC[NH+](C)CC1 ZINC001208107553 969000236 /nfs/dbraw/zinc/00/02/36/969000236.db2.gz VUUHTKNIXQDLPY-UHFFFAOYSA-N 2 0 223.364 1.954 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC001341673208 979518782 /nfs/dbraw/zinc/51/87/82/979518782.db2.gz ZKWQIEBVMQLGKA-NEPJUHHUSA-N 2 0 241.379 1.126 20 30 BDEDRP C[C@@H](CCCC#N)[NH2+]CCSCC[NH3+] ZINC001172487158 974813978 /nfs/dbraw/zinc/81/39/78/974813978.db2.gz FFDZMCUHYFYRHF-JTQLQIEISA-N 2 0 215.366 1.350 20 30 BDEDRP C#C[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686642 970920665 /nfs/dbraw/zinc/92/06/65/970920665.db2.gz SABDPOMMHBVJJZ-HSBZDZAISA-N 2 0 236.359 1.241 20 30 BDEDRP C#CC1([NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256686181 970921019 /nfs/dbraw/zinc/92/10/19/970921019.db2.gz KSBWETVILIUNLF-UHFFFAOYSA-N 2 0 248.370 1.385 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(CC[NH3+])cc1 ZINC001218205538 971627782 /nfs/dbraw/zinc/62/77/82/971627782.db2.gz XLDKGRPEZSIPRW-AWEZNQCLSA-N 2 0 232.327 1.485 20 30 BDEDRP N#Cc1ncc(Cl)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170898174 972054071 /nfs/dbraw/zinc/05/40/71/972054071.db2.gz BWPDFZMXGBFVEE-SNVBAGLBSA-N 2 0 239.710 1.042 20 30 BDEDRP Cc1cc(C)c(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170901338 972066021 /nfs/dbraw/zinc/06/60/21/972066021.db2.gz ZMSWWDXPNUQFAZ-NSHDSACASA-N 2 0 233.319 1.006 20 30 BDEDRP C#CCCC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209269744 957378769 /nfs/dbraw/zinc/37/87/69/957378769.db2.gz PFJHRBJJNPHNHK-UHFFFAOYSA-N 2 0 206.333 1.427 20 30 BDEDRP C=CCC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246451480 972321223 /nfs/dbraw/zinc/32/12/23/972321223.db2.gz HJVQNIUPABVKIR-GFCCVEGCSA-N 2 0 213.369 1.259 20 30 BDEDRP C#CC1([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168299177 964391205 /nfs/dbraw/zinc/39/12/05/964391205.db2.gz HHXLJELMBYOSEZ-UHFFFAOYSA-N 2 0 206.333 1.615 20 30 BDEDRP C=C/C(=[NH+]\COC)N(CCC[NH3+])C(C)C ZINC001164121587 965741451 /nfs/dbraw/zinc/74/14/51/965741451.db2.gz PCNRMJUYWOPCRG-ACCUITESSA-N 2 0 213.325 1.234 20 30 BDEDRP C=CC[NH2+]CCN1CCCCC12CC[NH2+]CC2 ZINC001235189733 966028807 /nfs/dbraw/zinc/02/88/07/966028807.db2.gz AAPUBWIWIVZWBD-UHFFFAOYSA-N 2 0 237.391 1.370 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093856 967336466 /nfs/dbraw/zinc/33/64/66/967336466.db2.gz GSTCZFWWSXZZAC-AWEZNQCLSA-N 2 0 229.327 1.871 20 30 BDEDRP C=CCCCCCCCCN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347223 967564669 /nfs/dbraw/zinc/56/46/69/967564669.db2.gz KTGLQSZQPHOEIF-ZIAGYGMSSA-N 2 0 240.391 1.907 20 30 BDEDRP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(CC#N)c1 ZINC001168768249 968569877 /nfs/dbraw/zinc/56/98/77/968569877.db2.gz AZHZAMYSBHEXOI-UHFFFAOYSA-N 2 0 246.358 1.569 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001252570803 968820757 /nfs/dbraw/zinc/82/07/57/968820757.db2.gz BPDFXKXBXQPJOW-HNNXBMFYSA-N 2 0 248.370 1.775 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+]CCCC[NH+](CC)CC ZINC001252571840 968823556 /nfs/dbraw/zinc/82/35/56/968823556.db2.gz KNVBDOSHGXZXIE-CYBMUJFWSA-N 2 0 228.380 1.635 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001208602524 969155270 /nfs/dbraw/zinc/15/52/70/969155270.db2.gz GXDFNEBUNNRVGC-AWEZNQCLSA-N 2 0 235.375 1.954 20 30 BDEDRP C=C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001253588533 969275725 /nfs/dbraw/zinc/27/57/25/969275725.db2.gz XBINYCQXIXHGAC-ZDUSSCGKSA-N 2 0 247.342 1.059 20 30 BDEDRP C=C[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001253605651 969301892 /nfs/dbraw/zinc/30/18/92/969301892.db2.gz VOPPQGRASHDIJK-YVECIDJPSA-N 2 0 224.348 1.138 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](C(CC)CC)CC1 ZINC001253606318 969306021 /nfs/dbraw/zinc/30/60/21/969306021.db2.gz FYPHCJXHVDPXHN-CQSZACIVSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209163762 969364486 /nfs/dbraw/zinc/36/44/86/969364486.db2.gz KTKMSRUAOQTTMN-CHWSQXEVSA-N 2 0 208.349 1.979 20 30 BDEDRP C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080983 969404810 /nfs/dbraw/zinc/40/48/10/969404810.db2.gz OKTJXMMXYSKZBW-XYYAHUGASA-N 2 0 206.333 1.615 20 30 BDEDRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254674190 969779593 /nfs/dbraw/zinc/77/95/93/969779593.db2.gz VKRBAIQSTXRSBU-STQMWFEESA-N 2 0 233.359 1.706 20 30 BDEDRP CC[C@@H](CC#N)N1CC[NH+](CCCC[NH3+])CC1 ZINC001255164475 969976701 /nfs/dbraw/zinc/97/67/01/969976701.db2.gz MQAFBHNYOHUWIV-ZDUSSCGKSA-N 2 0 238.379 1.035 20 30 BDEDRP C#Cc1cc(Nc2cc[nH+]cc2OC)ccn1 ZINC001211258227 970205320 /nfs/dbraw/zinc/20/53/20/970205320.db2.gz ZTHXEOYSDRGWJO-UHFFFAOYSA-N 2 0 225.251 1.632 20 30 BDEDRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCS ZINC001255944355 970566592 /nfs/dbraw/zinc/56/65/92/970566592.db2.gz UWNZCXRJPKSDFX-SNVBAGLBSA-N 2 0 204.383 1.626 20 30 BDEDRP C=CCC(C)(C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001144076599 972548557 /nfs/dbraw/zinc/54/85/57/972548557.db2.gz DGBOYHWFZXBBPC-UHFFFAOYSA-N 2 0 240.351 1.050 20 30 BDEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148639037 973877755 /nfs/dbraw/zinc/87/77/55/973877755.db2.gz YSEODXFNRWVJNY-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C=C(C)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172244468 974510712 /nfs/dbraw/zinc/51/07/12/974510712.db2.gz RMNHSWLOAAVYCC-UHFFFAOYSA-N 2 0 226.364 1.653 20 30 BDEDRP CC1(C#N)CCC(NC(=[NH2+])SCC[NH3+])CC1 ZINC001173586486 975435399 /nfs/dbraw/zinc/43/53/99/975435399.db2.gz SVMNORYGLGVDLG-UHFFFAOYSA-N 2 0 240.376 1.675 20 30 BDEDRP C=CC[NH2+]CCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041438 978958276 /nfs/dbraw/zinc/95/82/76/978958276.db2.gz QEAZXHDDLVOFBF-CQSZACIVSA-N 2 0 237.391 1.370 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC001341585711 979478945 /nfs/dbraw/zinc/47/89/45/979478945.db2.gz QBJRPPSPAKBMEH-GFCCVEGCSA-N 2 0 241.379 1.126 20 30 BDEDRP C=CC[NH2+]CCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584781 979634873 /nfs/dbraw/zinc/63/48/73/979634873.db2.gz ULEFQMAWTHNVOL-ZDUSSCGKSA-N 2 0 237.391 1.226 20 30 BDEDRP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735734 982373646 /nfs/dbraw/zinc/37/36/46/982373646.db2.gz QCMOQKOQAQUIQH-JTQLQIEISA-N 2 0 218.291 1.869 20 30 BDEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] ZINC001357452992 983714970 /nfs/dbraw/zinc/71/49/70/983714970.db2.gz JNGIRBXGHWSGDU-NEPJUHHUSA-N 2 0 243.395 1.528 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001252575118 983829539 /nfs/dbraw/zinc/82/95/39/983829539.db2.gz VKAMSEDLWCJPJX-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCCC[NH+](C)C ZINC001252587957 983840696 /nfs/dbraw/zinc/84/06/96/983840696.db2.gz YZLYGDYUQWGHEA-LBPRGKRZSA-N 2 0 214.353 1.245 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001580040561 986450289 /nfs/dbraw/zinc/45/02/89/986450289.db2.gz LAXMAYWPJVYDTP-XJFOESAGSA-N 2 0 233.359 1.800 20 30 BDEDRP N#CCC1(C[NH2+]C2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001580047781 986476260 /nfs/dbraw/zinc/47/62/60/986476260.db2.gz OECGZFINVBYZBV-YZRBJQDESA-N 2 0 205.305 1.150 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001462671786 986504339 /nfs/dbraw/zinc/50/43/39/986504339.db2.gz SFOOHNDEIIZNBV-ZOBORPQBSA-N 2 0 235.375 1.856 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]2C1 ZINC001254671662 986722497 /nfs/dbraw/zinc/72/24/97/986722497.db2.gz SQMGMLGRDGVWOS-NDBYEHHHSA-N 2 0 219.332 1.172 20 30 BDEDRP CC[C@H](CC#N)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001255154525 986826001 /nfs/dbraw/zinc/82/60/01/986826001.db2.gz ISXWLIFKIOSAHA-GFCCVEGCSA-N 2 0 221.348 1.754 20 30 BDEDRP COC[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001255567713 987019883 /nfs/dbraw/zinc/01/98/83/987019883.db2.gz ILKZQDCRXATBGO-LLVKDONJSA-N 2 0 249.358 1.688 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246019862 987304929 /nfs/dbraw/zinc/30/49/29/987304929.db2.gz AUQYWLXBNSAAFM-NSHDSACASA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246019855 987308761 /nfs/dbraw/zinc/30/87/61/987308761.db2.gz AUQYWLXBNSAAFM-LLVKDONJSA-N 2 0 230.327 1.076 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246019466 987309819 /nfs/dbraw/zinc/30/98/19/987309819.db2.gz FKOUWPFWEXXWRQ-UONOGXRCSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246060176 987348867 /nfs/dbraw/zinc/34/88/67/987348867.db2.gz NFJNLAFYYOOPIE-RDBSUJKOSA-N 2 0 238.375 1.387 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246087747 987388262 /nfs/dbraw/zinc/38/82/62/987388262.db2.gz YSCVNWQMMWGXQQ-MNOVXSKESA-N 2 0 207.321 1.540 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC001246087746 987390798 /nfs/dbraw/zinc/39/07/98/987390798.db2.gz YSCVNWQMMWGXQQ-GHMZBOCLSA-N 2 0 207.321 1.540 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001246116110 987453191 /nfs/dbraw/zinc/45/31/91/987453191.db2.gz UYELFRHBXOROGX-XQHKEYJVSA-N 2 0 221.348 1.514 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246203411 987598384 /nfs/dbraw/zinc/59/83/84/987598384.db2.gz AHJLVWDFLBBSPT-VEDUHTKKSA-N 2 0 233.359 1.941 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204296 987600759 /nfs/dbraw/zinc/60/07/59/987600759.db2.gz DSKDVZASMVYJEY-IJLUTSLNSA-N 2 0 209.337 1.928 20 30 BDEDRP CCCCCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246230406 987625049 /nfs/dbraw/zinc/62/50/49/987625049.db2.gz KTZABDIUGMBQJG-CYBMUJFWSA-N 2 0 239.407 1.640 20 30 BDEDRP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246262139 987655821 /nfs/dbraw/zinc/65/58/21/987655821.db2.gz AFEWDURHAHWNPN-DOMZBBRYSA-N 2 0 228.339 1.898 20 30 BDEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246478146 987828518 /nfs/dbraw/zinc/82/85/18/987828518.db2.gz SXGOBFTWLHRBNU-SRVKXCTJSA-N 2 0 214.328 1.878 20 30 BDEDRP C#CCCC1(CC[NH2+]C2CC[NH2+]CC2)N=N1 ZINC001246516371 987865717 /nfs/dbraw/zinc/86/57/17/987865717.db2.gz ROOVYDCVYDTUHZ-UHFFFAOYSA-N 2 0 220.320 1.294 20 30 BDEDRP C[C@]1([NH3+])CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246530617 987887578 /nfs/dbraw/zinc/88/75/78/987887578.db2.gz NPABACMEFTZMLN-MCIGGMRASA-N 2 0 207.321 1.492 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1 ZINC001246553282 987957610 /nfs/dbraw/zinc/95/76/10/987957610.db2.gz XXHUUJOWTOHVRT-VXGBXAGGSA-N 2 0 207.321 1.349 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1 ZINC001246553280 987962630 /nfs/dbraw/zinc/96/26/30/987962630.db2.gz XXHUUJOWTOHVRT-RYUDHWBXSA-N 2 0 207.321 1.349 20 30 BDEDRP N#CCC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246809482 988491778 /nfs/dbraw/zinc/49/17/78/988491778.db2.gz WTVGXXGDRSVPFU-UHFFFAOYSA-N 2 0 207.321 1.364 20 30 BDEDRP CCCCCCC[C@@H](C)N(CC[NH3+])CC[NH3+] ZINC001246834385 988532553 /nfs/dbraw/zinc/53/25/53/988532553.db2.gz UHVAWHRCZGTWKX-CYBMUJFWSA-N 2 0 229.412 1.955 20 30 BDEDRP C#C[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246837921 988537045 /nfs/dbraw/zinc/53/70/45/988537045.db2.gz WZDDCYFFXDDOEU-FRRDWIJNSA-N 2 0 206.333 1.472 20 30 BDEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001246836917 988538787 /nfs/dbraw/zinc/53/87/87/988538787.db2.gz ZZKOTHXSPRAYHD-UOJUARBOSA-N 2 0 219.332 1.505 20 30 BDEDRP C#CC1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246880142 988651606 /nfs/dbraw/zinc/65/16/06/988651606.db2.gz HIDCEAMZXHULRZ-WCQYABFASA-N 2 0 206.333 1.472 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)C1 ZINC001246932076 988759760 /nfs/dbraw/zinc/75/97/60/988759760.db2.gz PEGYSYFXMIJCIZ-YIYPIFLZSA-N 2 0 233.359 1.610 20 30 BDEDRP C=CCC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001258718346 991642241 /nfs/dbraw/zinc/64/22/41/991642241.db2.gz LXWNSFHJTDHBCQ-JTQLQIEISA-N 2 0 212.341 1.194 20 30 BDEDRP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC001574760484 992899770 /nfs/dbraw/zinc/89/97/70/992899770.db2.gz ZSIMRCFNACCAOL-LPWJVIDDSA-N 2 0 220.360 1.894 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001575941009 993123493 /nfs/dbraw/zinc/12/34/93/993123493.db2.gz GPWANPFSJXIDGX-GHMZBOCLSA-N 2 0 207.321 1.268 20 30 BDEDRP C=C(C)C[NH+]1CCC(NCc2ncc[nH]2)CC1 ZINC000066594099 398266150 /nfs/dbraw/zinc/26/61/50/398266150.db2.gz IBQPNPYQNDGAOC-UHFFFAOYSA-N 2 0 234.347 1.540 20 30 BDEDRP C[C@H](C#N)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000183836327 346859560 /nfs/dbraw/zinc/85/95/60/346859560.db2.gz QPWJOQCGRSDMFB-LLVKDONJSA-N 2 0 223.364 1.999 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000158008970 398340830 /nfs/dbraw/zinc/34/08/30/398340830.db2.gz GHRPZACNHXDBBU-OLZOCXBDSA-N 2 0 221.348 1.897 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CN1C1CC1 ZINC000349326197 136341846 /nfs/dbraw/zinc/34/18/46/136341846.db2.gz TVVFHYKZIVJVTC-XQHKEYJVSA-N 2 0 233.359 1.893 20 30 BDEDRP N#Cc1cnccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000592485436 347786545 /nfs/dbraw/zinc/78/65/45/347786545.db2.gz PWYOROXKJAFXPO-LBPRGKRZSA-N 2 0 244.342 1.514 20 30 BDEDRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894652 348390834 /nfs/dbraw/zinc/39/08/34/348390834.db2.gz VFHXVWYTNCWCLY-OAHLLOKOSA-N 2 0 243.354 1.642 20 30 BDEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719218 349027038 /nfs/dbraw/zinc/02/70/38/349027038.db2.gz IJXZQBAEYOZDEW-RYUDHWBXSA-N 2 0 241.379 1.217 20 30 BDEDRP C=CCC(C)(C)C[NH2+][C@H](CCC[NH3+])COC ZINC000336651455 350578751 /nfs/dbraw/zinc/57/87/51/350578751.db2.gz AKPDDMZCLRPDAL-GFCCVEGCSA-N 2 0 228.380 1.932 20 30 BDEDRP C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000130973555 353362100 /nfs/dbraw/zinc/36/21/00/353362100.db2.gz WFGZFNKEIFGANT-BFHYXJOUSA-N 2 0 240.391 1.728 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000335840749 355585116 /nfs/dbraw/zinc/58/51/16/355585116.db2.gz YDHGMCJSDAQFOM-KGLIPLIRSA-N 2 0 233.359 1.920 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000167749230 134153624 /nfs/dbraw/zinc/15/36/24/134153624.db2.gz CBQSRKSYXUCCGI-UWVGGRQHSA-N 2 0 218.728 1.096 20 30 BDEDRP CC#CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368315308 134218061 /nfs/dbraw/zinc/21/80/61/134218061.db2.gz HWICAAIPHZCTOK-ZDUSSCGKSA-N 2 0 206.333 1.427 20 30 BDEDRP C#CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000371185436 134227443 /nfs/dbraw/zinc/22/74/43/134227443.db2.gz SCDGCHSWDJHZQB-HIFRSBDPSA-N 2 0 232.371 1.958 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423522757 192803091 /nfs/dbraw/zinc/80/30/91/192803091.db2.gz YDKLKMDLBPWUBS-MROQNXINSA-N 2 0 221.348 1.786 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387862 361040353 /nfs/dbraw/zinc/04/03/53/361040353.db2.gz LMRKQFFYJIACAT-NWDGAFQWSA-N 2 0 226.364 1.685 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629392869 361042098 /nfs/dbraw/zinc/04/20/98/361042098.db2.gz VNLILKNIELNFDN-NSHDSACASA-N 2 0 200.326 1.167 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399021 361046781 /nfs/dbraw/zinc/04/67/81/361046781.db2.gz APEUJKXKUQWULC-NEPJUHHUSA-N 2 0 214.353 1.542 20 30 BDEDRP C=CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629523832 361122212 /nfs/dbraw/zinc/12/22/12/361122212.db2.gz JYIDBNVVIQSHAD-ZDUSSCGKSA-N 2 0 238.375 1.829 20 30 BDEDRP C=C[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)CC ZINC000566412110 326040897 /nfs/dbraw/zinc/04/08/97/326040897.db2.gz BZPOLOWFWHDQCP-QWHCGFSZSA-N 2 0 226.364 1.340 20 30 BDEDRP C[C@@H]1CN(Cc2ccc(C#N)o2)CC[C@@H]1[NH3+] ZINC000600769690 369562408 /nfs/dbraw/zinc/56/24/08/369562408.db2.gz YBGUUKAQQNUNST-SKDRFNHKSA-N 2 0 219.288 1.320 20 30 BDEDRP C[C@H]1C[C@H]([NH3+])CN1Cc1ccc(C#N)cc1 ZINC000601330774 369619860 /nfs/dbraw/zinc/61/98/60/369619860.db2.gz XCKXWTBELJAFPA-GWCFXTLKSA-N 2 0 215.300 1.480 20 30 BDEDRP C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251753281 369941322 /nfs/dbraw/zinc/94/13/22/369941322.db2.gz LKONZAXDIDVDQX-BXUZGUMPSA-N 2 0 229.327 1.727 20 30 BDEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000623838417 371121785 /nfs/dbraw/zinc/12/17/85/371121785.db2.gz UKPKCRFRSHBJSK-MCIONIFRSA-N 2 0 238.375 1.387 20 30 BDEDRP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335024878 384010764 /nfs/dbraw/zinc/01/07/64/384010764.db2.gz HNRTTWVAKMXTKH-QMTHXVAHSA-N 2 0 247.317 1.785 20 30 BDEDRP C[C@@H](CNCc1ccc(C#N)o1)C[NH+]1CCCC1 ZINC000135152668 384065670 /nfs/dbraw/zinc/06/56/70/384065670.db2.gz IAAYMDBXGARPER-LBPRGKRZSA-N 2 0 247.342 1.973 20 30 BDEDRP C#CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000368580567 533053926 /nfs/dbraw/zinc/05/39/26/533053926.db2.gz NTXSXKPQPIAJOA-HNNXBMFYSA-N 2 0 249.402 1.112 20 30 BDEDRP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000423096820 384494240 /nfs/dbraw/zinc/49/42/40/384494240.db2.gz IEBFUTDAXDWQMW-SWLSCSKDSA-N 2 0 243.354 1.688 20 30 BDEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000170905385 385455124 /nfs/dbraw/zinc/45/51/24/385455124.db2.gz QKXFFZOGCGWEHF-UHFFFAOYSA-N 2 0 249.362 1.396 20 30 BDEDRP C#CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370687095 533151245 /nfs/dbraw/zinc/15/12/45/533151245.db2.gz BJEPOVWOXKPHHG-UHFFFAOYSA-N 2 0 249.402 1.110 20 30 BDEDRP C#CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313539 533152553 /nfs/dbraw/zinc/15/25/53/533152553.db2.gz AQKGTMCVSQWDAY-ZDUSSCGKSA-N 2 0 232.371 1.816 20 30 BDEDRP C=CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334453975 386102682 /nfs/dbraw/zinc/10/26/82/386102682.db2.gz MOBWLXXSDZLVBS-UONOGXRCSA-N 2 0 237.391 1.130 20 30 BDEDRP C=CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414889418 386112305 /nfs/dbraw/zinc/11/23/05/386112305.db2.gz SSCBSAMRCMZVIN-LBPRGKRZSA-N 2 0 234.343 1.936 20 30 BDEDRP C#CC[NH+](C)CCCCC[N@@H+](C)CC#C ZINC000276959326 386394524 /nfs/dbraw/zinc/39/45/24/386394524.db2.gz LXCSJCXRYAWKHT-UHFFFAOYSA-N 2 0 206.333 1.287 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248520030 387137832 /nfs/dbraw/zinc/13/78/32/387137832.db2.gz QUZDAUZSRJGQMZ-XQQFMLRXSA-N 2 0 224.348 1.140 20 30 BDEDRP C=CC[C@@H](CC)[NH2+][C@H](CCC[NH3+])COC ZINC000393773162 259711943 /nfs/dbraw/zinc/71/19/43/259711943.db2.gz KRGFNJPUHOSLED-VXGBXAGGSA-N 2 0 214.353 1.685 20 30 BDEDRP C=C(C)C[NH+]1CCC(N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422983486 387793675 /nfs/dbraw/zinc/79/36/75/387793675.db2.gz ZRPVBJJKPPROGP-CHWSQXEVSA-N 2 0 239.407 1.742 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422987863 387798867 /nfs/dbraw/zinc/79/88/67/387798867.db2.gz HOGRWFDDAXLDPW-QWRGUYRKSA-N 2 0 200.326 1.295 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422993646 387802728 /nfs/dbraw/zinc/80/27/28/387802728.db2.gz SWZAMIYNLLVNNL-STQMWFEESA-N 2 0 226.364 1.829 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422993644 387803065 /nfs/dbraw/zinc/80/30/65/387803065.db2.gz SWZAMIYNLLVNNL-OLZOCXBDSA-N 2 0 226.364 1.829 20 30 BDEDRP CC1=CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442854949 387851733 /nfs/dbraw/zinc/85/17/33/387851733.db2.gz PDPHMQGGYNTVFT-UONOGXRCSA-N 2 0 233.359 1.920 20 30 BDEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423052677 387860970 /nfs/dbraw/zinc/86/09/70/387860970.db2.gz QHAANOSSZLFVOM-RWMBFGLXSA-N 2 0 226.364 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423106553 387891534 /nfs/dbraw/zinc/89/15/34/387891534.db2.gz ZZPFUAGSLHEKJE-FQUUOJAGSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423097581 387886886 /nfs/dbraw/zinc/88/68/86/387886886.db2.gz QTYUTSSDAJSHAD-CRWXNKLISA-N 2 0 238.375 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423097583 387887008 /nfs/dbraw/zinc/88/70/08/387887008.db2.gz QTYUTSSDAJSHAD-DGAVXFQQSA-N 2 0 238.375 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423097584 387887638 /nfs/dbraw/zinc/88/76/38/387887638.db2.gz QTYUTSSDAJSHAD-MQYQWHSLSA-N 2 0 238.375 1.685 20 30 BDEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423151355 387930344 /nfs/dbraw/zinc/93/03/44/387930344.db2.gz JYLDQMCCSJOGSC-QCNOEVLYSA-N 2 0 212.337 1.435 20 30 BDEDRP C[C@H]1C[C@H]([NH2+]CCCCC#N)CC[N@@H+]1C ZINC000156231004 387943295 /nfs/dbraw/zinc/94/32/95/387943295.db2.gz LIWALUVNSIVAMF-NWDGAFQWSA-N 2 0 209.337 1.753 20 30 BDEDRP C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCC[NH2+]1 ZINC000423164341 387948841 /nfs/dbraw/zinc/94/88/41/387948841.db2.gz WVUWWQFDUYZRKJ-CYDGBPFRSA-N 2 0 221.348 1.799 20 30 BDEDRP C[C@@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000424364247 387989808 /nfs/dbraw/zinc/98/98/08/387989808.db2.gz DEZQIGMTQSUJRQ-QJPTWQEYSA-N 2 0 207.321 1.268 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000424362696 387990100 /nfs/dbraw/zinc/99/01/00/387990100.db2.gz AQRSWHZNUVGAHN-WOPDTQHZSA-N 2 0 207.321 1.410 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000424375971 387998863 /nfs/dbraw/zinc/99/88/63/387998863.db2.gz LBLRJDAXSQOPLL-RFGFWPKPSA-N 2 0 238.375 1.698 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000424375942 387999128 /nfs/dbraw/zinc/99/91/28/387999128.db2.gz KWLJBQJHQKPFCA-YIOUJQMASA-N 2 0 238.375 1.685 20 30 BDEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000516937308 388525776 /nfs/dbraw/zinc/52/57/76/388525776.db2.gz CAVHRFXCMJIKSH-MQYQWHSLSA-N 2 0 238.375 1.827 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985905 388686448 /nfs/dbraw/zinc/68/64/48/388686448.db2.gz AYKHMHCMEBSLKQ-RYUDHWBXSA-N 2 0 247.342 1.652 20 30 BDEDRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C#N)cc1 ZINC000422967505 388686589 /nfs/dbraw/zinc/68/65/89/388686589.db2.gz CCBXBNTXBKXDOU-MNOVXSKESA-N 2 0 229.327 1.817 20 30 BDEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248520027 388683090 /nfs/dbraw/zinc/68/30/90/388683090.db2.gz QUZDAUZSRJGQMZ-UPJWGTAASA-N 2 0 224.348 1.140 20 30 BDEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423112005 388687952 /nfs/dbraw/zinc/68/79/52/388687952.db2.gz XBQOHZRUUKZQDB-VXGBXAGGSA-N 2 0 231.343 1.816 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423112004 388688267 /nfs/dbraw/zinc/68/82/67/388688267.db2.gz XBQOHZRUUKZQDB-RYUDHWBXSA-N 2 0 231.343 1.816 20 30 BDEDRP CC#CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336665749 133534138 /nfs/dbraw/zinc/53/41/38/133534138.db2.gz NLZFVSCDFVXMII-UHFFFAOYSA-N 2 0 208.349 1.673 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000331616336 134000840 /nfs/dbraw/zinc/00/08/40/134000840.db2.gz DSTTYLVEQSCFEX-RNJOBUHISA-N 2 0 221.348 1.928 20 30 BDEDRP C#CCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371198592 134228063 /nfs/dbraw/zinc/22/80/63/134228063.db2.gz OEKIUARXXFQPNB-HNNXBMFYSA-N 2 0 249.402 1.110 20 30 BDEDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339211203 135066776 /nfs/dbraw/zinc/06/67/76/135066776.db2.gz FZNZLXIFWWRCKP-IHRRRGAJSA-N 2 0 233.359 1.706 20 30 BDEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000263159346 135125429 /nfs/dbraw/zinc/12/54/29/135125429.db2.gz OLXIHOMSGWOLQK-UHFFFAOYSA-N 2 0 245.330 1.070 20 30 BDEDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000261540743 135179881 /nfs/dbraw/zinc/17/98/81/135179881.db2.gz ALFCVTVDBRSZPR-CQSZACIVSA-N 2 0 229.327 1.729 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000261685929 135246156 /nfs/dbraw/zinc/24/61/56/135246156.db2.gz AOIIDWAHWYYVDO-LBPRGKRZSA-N 2 0 238.379 1.197 20 30 BDEDRP C=CCOCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000348039095 136028509 /nfs/dbraw/zinc/02/85/09/136028509.db2.gz UJQSPMUMCPLHPA-CYBMUJFWSA-N 2 0 226.364 1.463 20 30 BDEDRP C=CCOCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000665263015 410736272 /nfs/dbraw/zinc/73/62/72/410736272.db2.gz DRIGJIOEQTYURA-RYUDHWBXSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)C1 ZINC000651739004 411139746 /nfs/dbraw/zinc/13/97/46/411139746.db2.gz GAFXMVKGBWGJDN-HZSPNIEDSA-N 2 0 240.391 1.633 20 30 BDEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593319761 411139922 /nfs/dbraw/zinc/13/99/22/411139922.db2.gz PEIKYWNJMKNTGD-VXGBXAGGSA-N 2 0 221.348 1.787 20 30 BDEDRP C=CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400931244 411163785 /nfs/dbraw/zinc/16/37/85/411163785.db2.gz ONAOGOAKFRSNAZ-YNEHKIRRSA-N 2 0 208.349 1.930 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345568 411209312 /nfs/dbraw/zinc/20/93/12/411209312.db2.gz GBHPYJUEAVGVKT-AVGNSLFASA-N 2 0 224.348 1.391 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000310183818 411219057 /nfs/dbraw/zinc/21/90/57/411219057.db2.gz UVRRDIKRLGGZDW-BFHYXJOUSA-N 2 0 238.375 1.699 20 30 BDEDRP C(#CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661967163 411923973 /nfs/dbraw/zinc/92/39/73/411923973.db2.gz CDDTUSLXIKAALI-KLHDSHLOSA-N 2 0 244.382 1.673 20 30 BDEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@H](C)COC ZINC000662218135 412030179 /nfs/dbraw/zinc/03/01/79/412030179.db2.gz VIESCMFEHREOCA-GFCCVEGCSA-N 2 0 226.364 1.509 20 30 BDEDRP COCC#CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000671725019 487706737 /nfs/dbraw/zinc/70/67/37/487706737.db2.gz IABQSEWXNDEHDK-PBWFPOADSA-N 2 0 236.359 1.193 20 30 BDEDRP C=CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243662 323220191 /nfs/dbraw/zinc/22/01/91/323220191.db2.gz XAURROSNSZQKRO-CQSZACIVSA-N 2 0 238.375 1.653 20 30 BDEDRP C=C[C@@H]1CCCCN1C[C@H](O)C[N@@H+](C)CC ZINC000566412108 326041110 /nfs/dbraw/zinc/04/11/10/326041110.db2.gz BZPOLOWFWHDQCP-CHWSQXEVSA-N 2 0 226.364 1.340 20 30 BDEDRP CC(C)(C)NC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000263059631 534663766 /nfs/dbraw/zinc/66/37/66/534663766.db2.gz FJKHYIXDRMYGHD-UHFFFAOYSA-N 2 0 245.330 1.537 20 30 BDEDRP C=CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367618337 534816513 /nfs/dbraw/zinc/81/65/13/534816513.db2.gz OVLJHUDCPYKALP-CQSZACIVSA-N 2 0 237.391 1.273 20 30 BDEDRP C=CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339004226 534879360 /nfs/dbraw/zinc/87/93/60/534879360.db2.gz RTCUDBQJMJXLFL-AWEZNQCLSA-N 2 0 238.375 1.607 20 30 BDEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[C@@H]1C ZINC000261992379 535548672 /nfs/dbraw/zinc/54/86/72/535548672.db2.gz MNOIFRNELUKORE-QJPTWQEYSA-N 2 0 238.379 1.031 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000849016692 582827083 /nfs/dbraw/zinc/82/70/83/582827083.db2.gz ZHLUTUBHSMFBCD-UHFFFAOYSA-N 2 0 238.379 1.408 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000104152120 583105746 /nfs/dbraw/zinc/10/57/46/583105746.db2.gz RGLJWAPNYWZRNO-GFCCVEGCSA-N 2 0 240.395 1.375 20 30 BDEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000203027690 583962279 /nfs/dbraw/zinc/96/22/79/583962279.db2.gz BSBXNJPPUNTWFM-ZDUSSCGKSA-N 2 0 246.358 1.898 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902372736 584566666 /nfs/dbraw/zinc/56/66/66/584566666.db2.gz YULMRXBUKFEWMG-LBPRGKRZSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375886 584567959 /nfs/dbraw/zinc/56/79/59/584567959.db2.gz YYLFRSZSWCQDSZ-NEPJUHHUSA-N 2 0 226.364 1.291 20 30 BDEDRP N#CC1CCC(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000903421294 584763958 /nfs/dbraw/zinc/76/39/58/584763958.db2.gz KRCXOMQKPQNMHP-JXQTWKCFSA-N 2 0 235.375 1.987 20 30 BDEDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903447432 584770745 /nfs/dbraw/zinc/77/07/45/584770745.db2.gz RZBMMXSNERRWEF-BLYZHGLHSA-N 2 0 235.375 1.985 20 30 BDEDRP N#CC1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000903450206 584772306 /nfs/dbraw/zinc/77/23/06/584772306.db2.gz PQNACVDWCSNOLW-LLZFXZEUSA-N 2 0 233.359 1.468 20 30 BDEDRP C=CCCC[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903850691 584808204 /nfs/dbraw/zinc/80/82/04/584808204.db2.gz XLEPXEKIWOGVPI-SRVKXCTJSA-N 2 0 212.337 1.125 20 30 BDEDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000903978438 584833112 /nfs/dbraw/zinc/83/31/12/584833112.db2.gz FNQIDNWBQYOOLU-GHMZBOCLSA-N 2 0 233.315 1.486 20 30 BDEDRP CNC(NCC1([NH+](C)C)CCCCC1)=[NH+]C ZINC000750541933 585217188 /nfs/dbraw/zinc/21/71/88/585217188.db2.gz FCZMMSQHAHKADZ-UHFFFAOYSA-N 2 0 226.368 1.046 20 30 BDEDRP C#CCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000760842712 585399272 /nfs/dbraw/zinc/39/92/72/585399272.db2.gz ILPUXNBIQGDZKI-CQSZACIVSA-N 2 0 238.375 1.442 20 30 BDEDRP CC(=NNc1ccncc1)c1cn(C)c(C)n1 ZINC000800815621 586231948 /nfs/dbraw/zinc/23/19/48/586231948.db2.gz HTNISXLMOKFCSB-UHFFFAOYSA-N 2 0 229.287 1.382 20 30 BDEDRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1C#N ZINC000817916007 586838901 /nfs/dbraw/zinc/83/89/01/586838901.db2.gz UAJHPILKFJMFRF-MNOVXSKESA-N 2 0 247.342 1.782 20 30 BDEDRP C[NH+]=C(NC[C@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000848995527 588428737 /nfs/dbraw/zinc/42/87/37/588428737.db2.gz OSEYQIXEVLFPQN-NSHDSACASA-N 2 0 238.379 1.188 20 30 BDEDRP CCC[N@@H+]1CCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000849027744 588441459 /nfs/dbraw/zinc/44/14/59/588441459.db2.gz JYWCVOWJCJZTEE-LBPRGKRZSA-N 2 0 238.379 1.188 20 30 BDEDRP CCNC(NCCC[N@H+](C)CC(C)C)=[NH+]CC ZINC000849046560 588450225 /nfs/dbraw/zinc/45/02/25/588450225.db2.gz ITKWSZYGKGMIOH-UHFFFAOYSA-N 2 0 242.411 1.539 20 30 BDEDRP C[NH+]=C(NCCC[N@H+](C)CC(C)C)NC1CC1 ZINC000849047236 588450519 /nfs/dbraw/zinc/45/05/19/588450519.db2.gz RNSUXTXSPBNQBI-UHFFFAOYSA-N 2 0 240.395 1.292 20 30 BDEDRP C#CCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000851796397 588629745 /nfs/dbraw/zinc/62/97/45/588629745.db2.gz DBVRWOIKFOZYGN-UONOGXRCSA-N 2 0 238.375 1.441 20 30 BDEDRP C#CC(C)(C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851986272 588651847 /nfs/dbraw/zinc/65/18/47/588651847.db2.gz GXCJKKHGHWFKCQ-LBPRGKRZSA-N 2 0 226.364 1.031 20 30 BDEDRP CCNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000203018121 589208751 /nfs/dbraw/zinc/20/87/51/589208751.db2.gz ZBTHHMUQMRAMTN-LLVKDONJSA-N 2 0 226.368 1.175 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274738 590016780 /nfs/dbraw/zinc/01/67/80/590016780.db2.gz FVXNBGNEXYBVIW-PGUXBMHVSA-N 2 0 243.354 1.741 20 30 BDEDRP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1C[NH2+]C1 ZINC000873276902 590017995 /nfs/dbraw/zinc/01/79/95/590017995.db2.gz YNLDXKXRTGFYNQ-BMIGLBTASA-N 2 0 241.338 1.223 20 30 BDEDRP C#CCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000876818863 590245865 /nfs/dbraw/zinc/24/58/65/590245865.db2.gz ZKVJAQXZLFKKPM-ZIAGYGMSSA-N 2 0 220.360 1.721 20 30 BDEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000876854503 590250074 /nfs/dbraw/zinc/25/00/74/590250074.db2.gz HYDRJEVUKQNFPU-ZJUUUORDSA-N 2 0 247.770 1.090 20 30 BDEDRP C#CCOCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863806 590634914 /nfs/dbraw/zinc/63/49/14/590634914.db2.gz GOUYTBDWQOUZIK-UHFFFAOYSA-N 2 0 236.359 1.054 20 30 BDEDRP C=C(C)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879121926 590698911 /nfs/dbraw/zinc/69/89/11/590698911.db2.gz HXJQQWRUEGQMSI-UHFFFAOYSA-N 2 0 240.391 1.853 20 30 BDEDRP CC#CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248467 590720560 /nfs/dbraw/zinc/72/05/60/590720560.db2.gz SPJOPNICAVJKEU-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000884610961 591993848 /nfs/dbraw/zinc/99/38/48/591993848.db2.gz ZJUQXHWJPNDION-CYBMUJFWSA-N 2 0 245.326 1.083 20 30 BDEDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCC#N ZINC000887131268 592448639 /nfs/dbraw/zinc/44/86/39/592448639.db2.gz UOTFSMLNLNLYGQ-CYBMUJFWSA-N 2 0 244.342 1.896 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000104160367 592602789 /nfs/dbraw/zinc/60/27/89/592602789.db2.gz MHMWVOMOYIFHMW-LBPRGKRZSA-N 2 0 242.411 1.667 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174453 592603297 /nfs/dbraw/zinc/60/32/97/592603297.db2.gz PSVNOZOYIYBMQA-GFCCVEGCSA-N 2 0 240.395 1.423 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925708367 634400545 /nfs/dbraw/zinc/40/05/45/634400545.db2.gz RQCUYTAQGPJVHB-SRVKXCTJSA-N 2 0 224.348 1.308 20 30 BDEDRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1C#N ZINC000925837349 635494292 /nfs/dbraw/zinc/49/42/92/635494292.db2.gz GDHOUIFLJOLYMG-GXTWGEPZSA-N 2 0 243.354 1.954 20 30 BDEDRP C=C(Cl)C[NH2+][C@H](CCC[NH3+])COC ZINC000234712368 631670015 /nfs/dbraw/zinc/67/00/15/631670015.db2.gz LTYBGZAORWJPBK-SECBINFHSA-N 2 0 206.717 1.082 20 30 BDEDRP C#CCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000178055183 632935525 /nfs/dbraw/zinc/93/55/25/632935525.db2.gz LMDYZYMCBOPNDU-OLZOCXBDSA-N 2 0 208.349 1.720 20 30 BDEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])N(C)C)([NH+](C)C)C1 ZINC000170909602 633176211 /nfs/dbraw/zinc/17/62/11/633176211.db2.gz FMCJXITZXVFEMQ-DGCLKSJQSA-N 2 0 240.395 1.373 20 30 BDEDRP CN(C)C(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000170906503 633176817 /nfs/dbraw/zinc/17/68/17/633176817.db2.gz ZPOAQXRSNYTLBE-UHFFFAOYSA-N 2 0 226.368 1.129 20 30 BDEDRP C#CCN(C)CCC[NH2+]C[C@H]1CC=CCC1 ZINC000327981311 633199063 /nfs/dbraw/zinc/19/90/63/633199063.db2.gz ACUKYDOBRHQKKX-AWEZNQCLSA-N 2 0 220.360 1.887 20 30 BDEDRP C#CCN(C)CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000328018899 633213515 /nfs/dbraw/zinc/21/35/15/633213515.db2.gz RXJCTZVTVASBLQ-CYBMUJFWSA-N 2 0 240.416 1.817 20 30 BDEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303365412 636308400 /nfs/dbraw/zinc/30/84/00/636308400.db2.gz GPGUHESUVATMJK-NWDGAFQWSA-N 2 0 242.411 1.666 20 30 BDEDRP CCCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000303980769 636320684 /nfs/dbraw/zinc/32/06/84/636320684.db2.gz OMLGOXIBCJHORA-UHFFFAOYSA-N 2 0 214.357 1.031 20 30 BDEDRP C=CCOc1cccc(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906508016 638179496 /nfs/dbraw/zinc/17/94/96/638179496.db2.gz HJGXDZITVDJVFX-UHFFFAOYSA-N 2 0 232.327 1.831 20 30 BDEDRP C=CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906508015 638180028 /nfs/dbraw/zinc/18/00/28/638180028.db2.gz HJGXDZITVDJVFX-JOCQHMNTSA-N 2 0 232.327 1.831 20 30 BDEDRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1C#N ZINC000906518948 638187024 /nfs/dbraw/zinc/18/70/24/638187024.db2.gz VLOMTVPLKKTSCE-HAQNSBGRSA-N 2 0 231.299 1.146 20 30 BDEDRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC000931721748 640338201 /nfs/dbraw/zinc/33/82/01/640338201.db2.gz WJXBXFKZOATBES-ZOBORPQBSA-N 2 0 233.359 1.847 20 30 BDEDRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CC[C@H](C#N)C1 ZINC000931721746 640339531 /nfs/dbraw/zinc/33/95/31/640339531.db2.gz WJXBXFKZOATBES-XDQVBPFNSA-N 2 0 233.359 1.847 20 30 BDEDRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC000931721747 640341714 /nfs/dbraw/zinc/34/17/14/640341714.db2.gz WJXBXFKZOATBES-XJFOESAGSA-N 2 0 233.359 1.847 20 30 BDEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000920415807 642489771 /nfs/dbraw/zinc/48/97/71/642489771.db2.gz NQLNDBRTIRUBFY-UHFFFAOYSA-N 2 0 215.300 1.227 20 30 BDEDRP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181305227 642861328 /nfs/dbraw/zinc/86/13/28/642861328.db2.gz YBHPAMSOFYONND-QWHCGFSZSA-N 2 0 208.349 1.862 20 30 BDEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000923288805 644323928 /nfs/dbraw/zinc/32/39/28/644323928.db2.gz CLKSOPLWQBQARB-CYBMUJFWSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923336997 644357156 /nfs/dbraw/zinc/35/71/56/644357156.db2.gz WGPBVRCGXPMAAM-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000923387952 644399631 /nfs/dbraw/zinc/39/96/31/644399631.db2.gz PGZPQWSBOMBHBJ-ZDUSSCGKSA-N 2 0 226.364 1.374 20 30 BDEDRP C=CC[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923397746 644404670 /nfs/dbraw/zinc/40/46/70/644404670.db2.gz GKENZRMSHFFOQU-OLZOCXBDSA-N 2 0 236.359 1.263 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000923414206 644416733 /nfs/dbraw/zinc/41/67/33/644416733.db2.gz KUEGWGREBUTUOR-GFCCVEGCSA-N 2 0 226.364 1.387 20 30 BDEDRP C=CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450118 644439331 /nfs/dbraw/zinc/43/93/31/644439331.db2.gz FKVUJJDRVHTKMO-LLVKDONJSA-N 2 0 210.321 1.002 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1C[NH3+] ZINC000923490334 644465381 /nfs/dbraw/zinc/46/53/81/644465381.db2.gz MXZSQVQZMONFQG-MNOVXSKESA-N 2 0 233.315 1.568 20 30 BDEDRP C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492941 644467435 /nfs/dbraw/zinc/46/74/35/644467435.db2.gz ZPQKZWGJDDYHHH-STQMWFEESA-N 2 0 243.354 1.975 20 30 BDEDRP C=C(Cl)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491953 644468461 /nfs/dbraw/zinc/46/84/61/644468461.db2.gz VJSZYUNUOHOSAA-PSASIEDQSA-N 2 0 202.729 1.656 20 30 BDEDRP CCC[N@@H+]1CC[C@@H](CNC(NCC)=[NH+]CC)C1 ZINC000303260474 644811608 /nfs/dbraw/zinc/81/16/08/644811608.db2.gz NEBNXWJIMXWNDQ-LBPRGKRZSA-N 2 0 240.395 1.293 20 30 BDEDRP CCN(CC)C(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303789724 644845588 /nfs/dbraw/zinc/84/55/88/644845588.db2.gz VQGZSKYDHZXTOA-GFCCVEGCSA-N 2 0 242.411 1.619 20 30 BDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCCCC1 ZINC000303779621 644846588 /nfs/dbraw/zinc/84/65/88/644846588.db2.gz KSBTWUNDRQHUJI-UHFFFAOYSA-N 2 0 226.368 1.127 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303874140 644849906 /nfs/dbraw/zinc/84/99/06/644849906.db2.gz CURKNOXKHFTATN-GFCCVEGCSA-N 2 0 240.395 1.517 20 30 BDEDRP CC[C@@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000303868974 644850673 /nfs/dbraw/zinc/85/06/73/644850673.db2.gz ARZKPMZZIBFOEK-NSHDSACASA-N 2 0 226.368 1.174 20 30 BDEDRP CCCNC(=[NH2+])NCCC[NH+](CCC)CCC ZINC000303883773 644853933 /nfs/dbraw/zinc/85/39/33/644853933.db2.gz MGFJAHBCYQULOJ-UHFFFAOYSA-N 2 0 242.411 1.813 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CCC)C1 ZINC000303895468 644856128 /nfs/dbraw/zinc/85/61/28/644856128.db2.gz TVLYQNSOXOWFTO-GFCCVEGCSA-N 2 0 240.395 1.423 20 30 BDEDRP CC[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000303907138 644856177 /nfs/dbraw/zinc/85/61/77/644856177.db2.gz WNHVXENNPRYEJB-GFCCVEGCSA-N 2 0 240.395 1.340 20 30 BDEDRP CC[C@@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCC1 ZINC000303910526 644857856 /nfs/dbraw/zinc/85/78/56/644857856.db2.gz ZAHCBHSKWIZYLO-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP CC[C@@H](C)[N@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303978553 644862434 /nfs/dbraw/zinc/86/24/34/644862434.db2.gz MKBPHDLXWMQNBG-LLVKDONJSA-N 2 0 228.384 1.196 20 30 BDEDRP CCCC[N@H+](C)CCNC(NCC)=[NH+]CC ZINC000304061868 644868117 /nfs/dbraw/zinc/86/81/17/644868117.db2.gz PZMBTSZHDDHCAL-UHFFFAOYSA-N 2 0 228.384 1.293 20 30 BDEDRP C[C@H]1CCCN(C(=[NH2+])NCC[NH2+]C(C)(C)C)C1 ZINC000304740075 644929845 /nfs/dbraw/zinc/92/98/45/644929845.db2.gz BMKJRLRWSWVHSO-NSHDSACASA-N 2 0 240.395 1.421 20 30 BDEDRP CCCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000304761893 644930644 /nfs/dbraw/zinc/93/06/44/644930644.db2.gz VBSHCZBOHJYTPY-GFCCVEGCSA-N 2 0 240.395 1.565 20 30 BDEDRP C=CC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925550353 646326021 /nfs/dbraw/zinc/32/60/21/646326021.db2.gz RGMCHZINELQKLY-KBPBESRZSA-N 2 0 249.402 1.496 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925630163 646376429 /nfs/dbraw/zinc/37/64/29/646376429.db2.gz NVGSEAGHQDELDW-AVGNSLFASA-N 2 0 240.391 1.667 20 30 BDEDRP N#CCC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925657257 646393399 /nfs/dbraw/zinc/39/33/99/646393399.db2.gz RRAIOIIUJWGEBV-QWRGUYRKSA-N 2 0 219.332 1.540 20 30 BDEDRP N#Cc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925672038 646402091 /nfs/dbraw/zinc/40/20/91/646402091.db2.gz GHXRYYYAGWARGE-OLZOCXBDSA-N 2 0 242.326 1.313 20 30 BDEDRP N#Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925672037 646403483 /nfs/dbraw/zinc/40/34/83/646403483.db2.gz GHXRYYYAGWARGE-CHWSQXEVSA-N 2 0 242.326 1.313 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682328 646408971 /nfs/dbraw/zinc/40/89/71/646408971.db2.gz AXIQSYQLQBPJQI-LOWDOPEQSA-N 2 0 238.375 1.826 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925680988 646409817 /nfs/dbraw/zinc/40/98/17/646409817.db2.gz LZBLOCXRGBYHIC-YQFOFLOKSA-N 2 0 245.370 1.655 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925702811 646427659 /nfs/dbraw/zinc/42/76/59/646427659.db2.gz DYPAKUVODNCQNH-WUHRBBMRSA-N 2 0 236.359 1.437 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925710123 646434942 /nfs/dbraw/zinc/43/49/42/646434942.db2.gz VMZQMJZCRXZNTD-NNWKIESISA-N 2 0 248.370 1.164 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1CCC([NH3+])CC1 ZINC000925768992 646471183 /nfs/dbraw/zinc/47/11/83/646471183.db2.gz ADYLSAIHLRZGRS-HTAVTVPLSA-N 2 0 212.337 1.173 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925771636 646472101 /nfs/dbraw/zinc/47/21/01/646472101.db2.gz NJGWZVLMCNFHAJ-AAVRWANBSA-N 2 0 238.375 1.291 20 30 BDEDRP C#CC[N@H+](C)CCCNCc1cc(C)no1 ZINC000328087337 711689275 /nfs/dbraw/zinc/68/92/75/711689275.db2.gz HWZXXIVJYLUZJT-UHFFFAOYSA-N 2 0 221.304 1.028 20 30 BDEDRP CCNC(NC[C@@H]1CCCC[N@H+](C)C1)=[NH+]CC ZINC000700812880 712006972 /nfs/dbraw/zinc/00/69/72/712006972.db2.gz KFXUDKFTFSLDKZ-LBPRGKRZSA-N 2 0 240.395 1.293 20 30 BDEDRP C=CCCCCCCC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512295 968347844 /nfs/dbraw/zinc/34/78/44/968347844.db2.gz LGYZFIVSAWWGFF-KBPBESRZSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001252625301 968886620 /nfs/dbraw/zinc/88/66/20/968886620.db2.gz VGOXWTOGVRDSHI-FRRDWIJNSA-N 2 0 226.364 1.243 20 30 BDEDRP C=C[C@@H](O)C[NH2+]C1CC[NH+](CC(C)(C)C)CC1 ZINC001253606635 969305387 /nfs/dbraw/zinc/30/53/87/969305387.db2.gz LJEITSHENVGEDY-CYBMUJFWSA-N 2 0 240.391 1.633 20 30 BDEDRP C[N@@H+]1CCC[C@@H]([NH+]2CCC(S)CC2)CC1 ZINC001254526141 969723157 /nfs/dbraw/zinc/72/31/57/969723157.db2.gz OKPSJZXFEKOHDA-LLVKDONJSA-N 2 0 228.405 1.865 20 30 BDEDRP C=CCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256683102 970920813 /nfs/dbraw/zinc/92/08/13/970920813.db2.gz RNEXDJXHAILBEV-UHFFFAOYSA-N 2 0 238.375 1.796 20 30 BDEDRP C=CCSCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405294615 971234112 /nfs/dbraw/zinc/23/41/12/971234112.db2.gz GAAXJQRSTVHKAS-GHMZBOCLSA-N 2 0 226.389 1.765 20 30 BDEDRP C=C(C)COCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405446402 971252930 /nfs/dbraw/zinc/25/29/30/971252930.db2.gz WTCBKSPSBPZGRC-RYUDHWBXSA-N 2 0 224.348 1.439 20 30 BDEDRP C=C1C[C@@H]2CC(NC3(C[NH3+])COC3)C[C@H](C1)C2 ZINC001257888383 971521711 /nfs/dbraw/zinc/52/17/11/971521711.db2.gz JOECYBHRGJNYSP-FUNVUKJBSA-N 2 0 236.359 1.439 20 30 BDEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OC[C@@H]1CCC[NH2+]1 ZINC001217926278 971528306 /nfs/dbraw/zinc/52/83/06/971528306.db2.gz DQWMLQUVHCZYIS-YNEHKIRRSA-N 2 0 224.348 1.452 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218206412 971626333 /nfs/dbraw/zinc/62/63/33/971626333.db2.gz BJUOATUQXYEBBR-CYBMUJFWSA-N 2 0 218.300 1.442 20 30 BDEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[NH3+])cc1 ZINC001218211110 971630120 /nfs/dbraw/zinc/63/01/20/971630120.db2.gz QUBMVKCTRHJFGG-CYBMUJFWSA-N 2 0 218.300 1.442 20 30 BDEDRP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709389853 960555115 /nfs/dbraw/zinc/55/51/15/960555115.db2.gz KSGLWKBKDGYTRA-FUNVUKJBSA-N 2 0 206.333 1.663 20 30 BDEDRP C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000161140819 964877211 /nfs/dbraw/zinc/87/72/11/964877211.db2.gz RXHSJYASYJRFIY-KBPBESRZSA-N 2 0 220.360 1.816 20 30 BDEDRP C=CCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361089 966062641 /nfs/dbraw/zinc/06/26/41/966062641.db2.gz XRDGXVBNMUUUEX-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C[C@H]([NH3+])CN(C)CCCc1ccc(C#N)cc1 ZINC001236885798 966612191 /nfs/dbraw/zinc/61/21/91/966612191.db2.gz SJSPIBBKGLDRBQ-LBPRGKRZSA-N 2 0 231.343 1.770 20 30 BDEDRP C=CCn1cc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001205041205 967268657 /nfs/dbraw/zinc/26/86/57/967268657.db2.gz PNESCTOPRQRHFE-UHFFFAOYSA-N 2 0 234.347 1.240 20 30 BDEDRP N#CC[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207437492 968770546 /nfs/dbraw/zinc/77/05/46/968770546.db2.gz JEPVXPIEKZXCJH-GFCCVEGCSA-N 2 0 221.348 1.612 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001252579287 968833459 /nfs/dbraw/zinc/83/34/59/968833459.db2.gz LFDHIDKMPORDFD-AVGNSLFASA-N 2 0 226.364 1.386 20 30 BDEDRP C=C[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001252582942 968835391 /nfs/dbraw/zinc/83/53/91/968835391.db2.gz ZPBUPPBIHAVMOW-YIYPIFLZSA-N 2 0 238.375 1.528 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252613268 968869363 /nfs/dbraw/zinc/86/93/63/968869363.db2.gz YAHGVGUGGUMYDV-CQSZACIVSA-N 2 0 240.391 1.779 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CCCCC[NH+](C)C ZINC001252613334 968869564 /nfs/dbraw/zinc/86/95/64/968869564.db2.gz ZORKFOORZQHQSI-CYBMUJFWSA-N 2 0 228.380 1.635 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252615290 968872865 /nfs/dbraw/zinc/87/28/65/968872865.db2.gz YDVCNZCKYNOORY-QWHCGFSZSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001252624146 968885557 /nfs/dbraw/zinc/88/55/57/968885557.db2.gz YLTQPWAVQOFWCI-HZSPNIEDSA-N 2 0 240.391 1.776 20 30 BDEDRP CC[NH+]1CCC(C[N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001208597531 969151128 /nfs/dbraw/zinc/15/11/28/969151128.db2.gz ISSGUPMQNPDBTP-ZDUSSCGKSA-N 2 0 221.348 1.564 20 30 BDEDRP C#CC1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208612042 969169527 /nfs/dbraw/zinc/16/95/27/969169527.db2.gz ABMGBFKYWNWLSR-CQSZACIVSA-N 2 0 220.360 1.673 20 30 BDEDRP C=C[C@H](O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001253600876 969293259 /nfs/dbraw/zinc/29/32/59/969293259.db2.gz GYDAJYJROKDKLH-OLZOCXBDSA-N 2 0 226.364 1.387 20 30 BDEDRP C=C(C)c1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254162636 969531427 /nfs/dbraw/zinc/53/14/27/969531427.db2.gz GCFMPYZKNBXBES-UHFFFAOYSA-N 2 0 237.351 1.030 20 30 BDEDRP CC[C@H](CC#N)N1CC[NH+](CCCC[NH3+])CC1 ZINC001255164468 969975751 /nfs/dbraw/zinc/97/57/51/969975751.db2.gz MQAFBHNYOHUWIV-CYBMUJFWSA-N 2 0 238.379 1.035 20 30 BDEDRP CC1(C[NH3+])C[NH+](C2CCC(C#N)CC2)C1 ZINC001246601297 973019260 /nfs/dbraw/zinc/01/92/60/973019260.db2.gz UQJQNSILNYZALI-UHFFFAOYSA-N 2 0 207.321 1.349 20 30 BDEDRP CC1(C#N)CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246854964 973174872 /nfs/dbraw/zinc/17/48/72/973174872.db2.gz RRAFCPXBAWJHTP-ABXWRUBCSA-N 2 0 233.359 1.882 20 30 BDEDRP N#CCCCC[C@@H](N)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC001329868460 973984812 /nfs/dbraw/zinc/98/48/12/973984812.db2.gz UMCKGMZPBFZFQI-ZJUUUORDSA-N 2 0 249.318 1.578 20 30 BDEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC001172300573 974513106 /nfs/dbraw/zinc/51/31/06/974513106.db2.gz XDVAYZJDAOFZQZ-NWDGAFQWSA-N 2 0 231.343 1.674 20 30 BDEDRP C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172486846 974790614 /nfs/dbraw/zinc/79/06/14/974790614.db2.gz DSKDVZASMVYJEY-WOPDTQHZSA-N 2 0 209.337 1.928 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590272 975447839 /nfs/dbraw/zinc/44/78/39/975447839.db2.gz CMVVOJSAMYCFOC-VOMCLLRMSA-N 2 0 209.337 1.643 20 30 BDEDRP CCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206454756 979143495 /nfs/dbraw/zinc/14/34/95/979143495.db2.gz GHYSSINAOOWJPN-UONOGXRCSA-N 2 0 242.407 1.988 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001340924665 979161446 /nfs/dbraw/zinc/16/14/46/979161446.db2.gz HEBXWBZTHOZWNF-IJLUTSLNSA-N 2 0 239.363 1.056 20 30 BDEDRP C=CCO[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC001342228569 979722022 /nfs/dbraw/zinc/72/20/22/979722022.db2.gz KTRQEFYGLDHPEV-KGLIPLIRSA-N 2 0 238.375 1.748 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC001343021025 979979358 /nfs/dbraw/zinc/97/93/58/979979358.db2.gz PAISFURIAXOGPJ-AWEZNQCLSA-N 2 0 238.375 1.605 20 30 BDEDRP C#CCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205604814 981181481 /nfs/dbraw/zinc/18/14/81/981181481.db2.gz XSELZHZVYBFBLG-CHWSQXEVSA-N 2 0 208.349 1.707 20 30 BDEDRP C[NH+](C)CCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001356570771 983632426 /nfs/dbraw/zinc/63/24/26/983632426.db2.gz VIFSEUTZXVQPFB-GFCCVEGCSA-N 2 0 241.379 1.219 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001245994412 987275180 /nfs/dbraw/zinc/27/51/80/987275180.db2.gz KLFONHRXGORXEI-QJPTWQEYSA-N 2 0 212.337 1.173 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021572 987309871 /nfs/dbraw/zinc/30/98/71/987309871.db2.gz KQTOBTUQYMICQC-IHRRRGAJSA-N 2 0 240.391 1.620 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246033222 987336159 /nfs/dbraw/zinc/33/61/59/987336159.db2.gz UKDAXYFVAWKICB-MJBXVCDLSA-N 2 0 240.391 1.620 20 30 BDEDRP C[C@H](CCCC#N)[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246102179 987422671 /nfs/dbraw/zinc/42/26/71/987422671.db2.gz RNUWXMZYRGBAFE-XQQFMLRXSA-N 2 0 223.364 1.904 20 30 BDEDRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC001246104966 987433598 /nfs/dbraw/zinc/43/35/98/987433598.db2.gz VVJKPPFBEPSXRJ-NELGMTEASA-N 2 0 235.375 1.904 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC001246205693 987602346 /nfs/dbraw/zinc/60/23/46/987602346.db2.gz RMWAVTYQQCTXGK-QCNOEVLYSA-N 2 0 207.321 1.538 20 30 BDEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542777 987909192 /nfs/dbraw/zinc/90/91/92/987909192.db2.gz KZKDPSDDDNBXQQ-QWHCGFSZSA-N 2 0 226.364 1.517 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(F)(C[NH3+])CC2)C1 ZINC001246627550 988295169 /nfs/dbraw/zinc/29/51/69/988295169.db2.gz MZLFUEGNKHCQGW-GHMZBOCLSA-N 2 0 225.311 1.441 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001122065464 990213759 /nfs/dbraw/zinc/21/37/59/990213759.db2.gz JTOBPRHGPNLMAH-NSHDSACASA-N 2 0 239.363 1.058 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001122154840 990269615 /nfs/dbraw/zinc/26/96/15/990269615.db2.gz REVSSWPJWXMWFX-NEPJUHHUSA-N 2 0 241.379 1.160 20 30 BDEDRP C=C[C@@H](CO)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258902607 991895680 /nfs/dbraw/zinc/89/56/80/991895680.db2.gz XPLIJYJNOSNDJV-OLZOCXBDSA-N 2 0 228.380 1.633 20 30 BDEDRP C#C[C@H]([NH2+]Cc1c(C[NH3+])cnn1C)C(C)(C)C ZINC001574503568 992869649 /nfs/dbraw/zinc/86/96/49/992869649.db2.gz BHDMDLSDRIGUGW-LBPRGKRZSA-N 2 0 234.347 1.016 20 30 BDEDRP C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC001574760482 992899009 /nfs/dbraw/zinc/89/90/09/992899009.db2.gz ZSIMRCFNACCAOL-CYDGBPFRSA-N 2 0 220.360 1.894 20 30 BDEDRP C[C@H](C[NH3+])C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001575987841 993152183 /nfs/dbraw/zinc/15/21/83/993152183.db2.gz JBXMJLCPTFSJJE-LLVKDONJSA-N 2 0 246.358 1.309 20 30 BDEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430750232 398229916 /nfs/dbraw/zinc/22/99/16/398229916.db2.gz NBSCNIYAHNVEHT-UPJWGTAASA-N 2 0 235.375 1.999 20 30 BDEDRP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602558461 349598340 /nfs/dbraw/zinc/59/83/40/349598340.db2.gz AUDHLPUVKIJTQP-AGIUHOORSA-N 2 0 223.364 1.999 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000222449425 259328053 /nfs/dbraw/zinc/32/80/53/259328053.db2.gz JGWITKRSVFMPOF-MELADBBJSA-N 2 0 240.391 1.897 20 30 BDEDRP C[C@@H](CCC#N)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000602640259 349653283 /nfs/dbraw/zinc/65/32/83/349653283.db2.gz LJHABIFHGJJBNI-RWMBFGLXSA-N 2 0 221.348 1.420 20 30 BDEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000602703822 349697867 /nfs/dbraw/zinc/69/78/67/349697867.db2.gz CKUQQBXXHLPCNX-RWMBFGLXSA-N 2 0 223.364 1.856 20 30 BDEDRP C[C@@H]1C[C@H]([N@H+](C)CCOCCC#N)CCN1C ZINC000339010357 136279751 /nfs/dbraw/zinc/27/97/51/136279751.db2.gz LYQQVMQHWCSFIB-CHWSQXEVSA-N 2 0 239.363 1.331 20 30 BDEDRP C[C@H]1[NH2+]CCC[C@H]1NCc1cccc(C#N)c1 ZINC000335642581 136308956 /nfs/dbraw/zinc/30/89/56/136308956.db2.gz FVHAGKJZEQYYJM-BXUZGUMPSA-N 2 0 229.327 1.788 20 30 BDEDRP C=CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000232573744 537801437 /nfs/dbraw/zinc/80/14/37/537801437.db2.gz OJFKQDBKHBTBPG-BETUJISGSA-N 2 0 208.349 1.884 20 30 BDEDRP CCC[N@@H+]1CC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262002043 534950501 /nfs/dbraw/zinc/95/05/01/534950501.db2.gz PYQFGKWHCKTNHD-GFCCVEGCSA-N 2 0 240.395 1.198 20 30 BDEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000133238667 344316059 /nfs/dbraw/zinc/31/60/59/344316059.db2.gz HBMAPUYHQWDPPW-RYUDHWBXSA-N 2 0 209.337 1.610 20 30 BDEDRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000600712887 344361711 /nfs/dbraw/zinc/36/17/11/344361711.db2.gz CFFCAVMDKIECCG-NNYUYHANSA-N 2 0 207.321 1.409 20 30 BDEDRP CC(C)(C#N)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283220 344516622 /nfs/dbraw/zinc/51/66/22/344516622.db2.gz WAKKGEINQZJRQV-GHMZBOCLSA-N 2 0 207.321 1.077 20 30 BDEDRP CC(C)(C#N)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283217 344516645 /nfs/dbraw/zinc/51/66/45/344516645.db2.gz WAKKGEINQZJRQV-PHIMTYICSA-N 2 0 207.321 1.077 20 30 BDEDRP C=CC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000395365667 362498743 /nfs/dbraw/zinc/49/87/43/362498743.db2.gz DAHVQHDGGUEAEJ-LBPRGKRZSA-N 2 0 226.364 1.245 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000575181431 347347576 /nfs/dbraw/zinc/34/75/76/347347576.db2.gz CGWJLRFKHJZTGN-NEPJUHHUSA-N 2 0 231.343 1.968 20 30 BDEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000575181433 347347676 /nfs/dbraw/zinc/34/76/76/347347676.db2.gz CGWJLRFKHJZTGN-RYUDHWBXSA-N 2 0 231.343 1.968 20 30 BDEDRP CC#CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364514024 347461337 /nfs/dbraw/zinc/46/13/37/347461337.db2.gz OMRMHSJQEPENNG-KFWWJZLASA-N 2 0 232.371 1.816 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471026 347790002 /nfs/dbraw/zinc/79/00/02/347790002.db2.gz RXZBGNCEIKPMAO-YNEHKIRRSA-N 2 0 233.359 1.658 20 30 BDEDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595896810 348387325 /nfs/dbraw/zinc/38/73/25/348387325.db2.gz YAIKWCUACZNNNY-IUODEOHRSA-N 2 0 243.354 1.912 20 30 BDEDRP Cc1ncc(C[NH+]2CCC(CC#N)CC2)n1C ZINC000597082754 348658926 /nfs/dbraw/zinc/65/89/26/348658926.db2.gz PPLUECIOVYZSRS-UHFFFAOYSA-N 2 0 232.331 1.854 20 30 BDEDRP Cc1cnccc1CC[NH2+][C@H](C)CC#N ZINC000308896190 349055527 /nfs/dbraw/zinc/05/55/27/349055527.db2.gz ZNWKKRPYWVUBQS-LLVKDONJSA-N 2 0 203.289 1.824 20 30 BDEDRP C=CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429222 350757535 /nfs/dbraw/zinc/75/75/35/350757535.db2.gz QHRKZRSRWHQEKU-CQSZACIVSA-N 2 0 238.375 1.607 20 30 BDEDRP C=CCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000398160484 363021174 /nfs/dbraw/zinc/02/11/74/363021174.db2.gz IAIDSMMDNOKKCK-KBPBESRZSA-N 2 0 240.391 1.778 20 30 BDEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000336726973 351496627 /nfs/dbraw/zinc/49/66/27/351496627.db2.gz BWJYNNSFORRAPU-OLZOCXBDSA-N 2 0 228.380 1.755 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336752435 353083737 /nfs/dbraw/zinc/08/37/37/353083737.db2.gz GVYXOHZVIWJCSR-NEPJUHHUSA-N 2 0 212.337 1.119 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329518978 355927342 /nfs/dbraw/zinc/92/73/42/355927342.db2.gz NTKUEIPAXAWNBA-MXWKQRLJSA-N 2 0 230.315 1.549 20 30 BDEDRP C=CC[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314509 192213515 /nfs/dbraw/zinc/21/35/15/192213515.db2.gz LCYIDMMAAUAIAG-ZDUSSCGKSA-N 2 0 234.343 1.855 20 30 BDEDRP C=CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371424769 134228582 /nfs/dbraw/zinc/22/85/82/134228582.db2.gz PPAYWBRDTDFGBS-AWEZNQCLSA-N 2 0 237.391 1.132 20 30 BDEDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(C#N)c1 ZINC000215987895 358433472 /nfs/dbraw/zinc/43/34/72/358433472.db2.gz GQAIMEIZVHBJCR-BXUZGUMPSA-N 2 0 229.327 1.727 20 30 BDEDRP C#CC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003373 360052274 /nfs/dbraw/zinc/05/22/74/360052274.db2.gz PJNYEKVFRXOLLT-LBPRGKRZSA-N 2 0 217.316 1.308 20 30 BDEDRP C=C(Cl)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306480751 360150223 /nfs/dbraw/zinc/15/02/23/360150223.db2.gz NJTFPJYTCDIAIF-SNVBAGLBSA-N 2 0 200.713 1.424 20 30 BDEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629399022 361047013 /nfs/dbraw/zinc/04/70/13/361047013.db2.gz APEUJKXKUQWULC-NWDGAFQWSA-N 2 0 214.353 1.542 20 30 BDEDRP C=CC[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000629650124 361546143 /nfs/dbraw/zinc/54/61/43/361546143.db2.gz OKHNSIHAKJQJBZ-STQMWFEESA-N 2 0 208.349 1.884 20 30 BDEDRP Cc1ccc(C[N@H+](C)CCOCC[NH3+])cc1C#N ZINC000600739780 369560954 /nfs/dbraw/zinc/56/09/54/369560954.db2.gz FLEWRLNLRNPASR-UHFFFAOYSA-N 2 0 247.342 1.274 20 30 BDEDRP N#Cc1ccc(CNCCC[NH2+]C2CC2)o1 ZINC000600769276 369563626 /nfs/dbraw/zinc/56/36/26/369563626.db2.gz LDDMBQNFILKDLY-UHFFFAOYSA-N 2 0 219.288 1.383 20 30 BDEDRP Cc1ccc(CN2C[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000601328834 369621960 /nfs/dbraw/zinc/62/19/60/369621960.db2.gz AJWSKUMECAIATM-SMDDNHRTSA-N 2 0 229.327 1.788 20 30 BDEDRP C[NH2+]CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000063159943 370136707 /nfs/dbraw/zinc/13/67/07/370136707.db2.gz LNSLUUBRNIDOJC-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000253202027 370163555 /nfs/dbraw/zinc/16/35/55/370163555.db2.gz YNVBCCXMCHUDAC-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000424381871 206038962 /nfs/dbraw/zinc/03/89/62/206038962.db2.gz RMBVCTXDNJADIH-XUXIUFHCSA-N 2 0 238.375 1.555 20 30 BDEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000422962300 384488227 /nfs/dbraw/zinc/48/82/27/384488227.db2.gz FFWBCHGZFYECLT-WDEREUQCSA-N 2 0 217.316 1.774 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000044535419 384657255 /nfs/dbraw/zinc/65/72/55/384657255.db2.gz BKSXBFWJRRWNNX-OAHLLOKOSA-N 2 0 243.354 1.990 20 30 BDEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000170912913 385456127 /nfs/dbraw/zinc/45/61/27/385456127.db2.gz YALCOUKWVWUUPZ-LLVKDONJSA-N 2 0 249.362 1.539 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798760 385793709 /nfs/dbraw/zinc/79/37/09/385793709.db2.gz WQGLWOAQLDCUQA-ITGHMWBKSA-N 2 0 236.359 1.308 20 30 BDEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414884589 386048411 /nfs/dbraw/zinc/04/84/11/386048411.db2.gz NUOWRNHRQNDPCI-LBPRGKRZSA-N 2 0 234.343 1.936 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181767542 386382902 /nfs/dbraw/zinc/38/29/02/386382902.db2.gz GLUDVESBFDFCAT-CHWSQXEVSA-N 2 0 226.364 1.651 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000442712387 386536571 /nfs/dbraw/zinc/53/65/71/386536571.db2.gz GHLKKBIFKQMCMX-RFGFWPKPSA-N 2 0 233.359 1.895 20 30 BDEDRP C[NH+](C)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334960711 387040565 /nfs/dbraw/zinc/04/05/65/387040565.db2.gz YWJWGOCAARLVGL-KGLIPLIRSA-N 2 0 235.375 1.952 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[NH2+]1 ZINC000423386359 387270237 /nfs/dbraw/zinc/27/02/37/387270237.db2.gz RSCFFFYKIGHDDX-YVECIDJPSA-N 2 0 221.348 1.799 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CC#N)cc1 ZINC000514728547 387279853 /nfs/dbraw/zinc/27/98/53/387279853.db2.gz UMECVPQUWMYNJD-LBPRGKRZSA-N 2 0 231.343 1.970 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422856524 387740213 /nfs/dbraw/zinc/74/02/13/387740213.db2.gz FOQMALBBNISXPK-GXTWGEPZSA-N 2 0 237.391 1.224 20 30 BDEDRP C=CC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422856527 387741334 /nfs/dbraw/zinc/74/13/34/387741334.db2.gz FOQMALBBNISXPK-TZMCWYRMSA-N 2 0 237.391 1.224 20 30 BDEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442724545 387830230 /nfs/dbraw/zinc/83/02/30/387830230.db2.gz ZPLBIIBCNKINFF-CHWSQXEVSA-N 2 0 239.363 1.237 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423012699 387835206 /nfs/dbraw/zinc/83/52/06/387835206.db2.gz DOTDPDDZMYJNIU-RWMBFGLXSA-N 2 0 226.364 1.421 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423016142 387839649 /nfs/dbraw/zinc/83/96/49/387839649.db2.gz LYPSGHUXNBDQIO-YNEHKIRRSA-N 2 0 226.364 1.278 20 30 BDEDRP N#CCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423092977 387882871 /nfs/dbraw/zinc/88/28/71/387882871.db2.gz FCDDGXFHXAKNMX-VXGBXAGGSA-N 2 0 221.348 1.787 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423256169 388036943 /nfs/dbraw/zinc/03/69/43/388036943.db2.gz BJYQFYAIRMECGG-SDDRHHMPSA-N 2 0 209.337 1.514 20 30 BDEDRP C#C[C@@H](C)[NH+](C)CCCC[N@@H+](C)[C@@H](C)C#C ZINC000491699788 388312447 /nfs/dbraw/zinc/31/24/47/388312447.db2.gz JLKGFNWVLPHAIS-OKILXGFUSA-N 2 0 220.360 1.674 20 30 BDEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000271868167 388409781 /nfs/dbraw/zinc/40/97/81/388409781.db2.gz WSAUEYULWQLKTA-UHFFFAOYSA-N 2 0 241.338 1.910 20 30 BDEDRP C[C@H]1CCNC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094606 388688118 /nfs/dbraw/zinc/68/81/18/388688118.db2.gz CCRNPCOGGQYYNJ-SWLSCSKDSA-N 2 0 243.354 1.688 20 30 BDEDRP C[C@H]1CCNC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094607 388688617 /nfs/dbraw/zinc/68/86/17/388688617.db2.gz CCRNPCOGGQYYNJ-WFASDCNBSA-N 2 0 243.354 1.688 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000423112002 388688878 /nfs/dbraw/zinc/68/88/78/388688878.db2.gz XBQOHZRUUKZQDB-NEPJUHHUSA-N 2 0 231.343 1.816 20 30 BDEDRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C#N)cc1 ZINC000423321707 388690559 /nfs/dbraw/zinc/69/05/59/388690559.db2.gz NODVHFFNNGVOMJ-AWEZNQCLSA-N 2 0 229.327 1.818 20 30 BDEDRP C=CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336369527 134145244 /nfs/dbraw/zinc/14/52/44/134145244.db2.gz PRZSDPOMADCNAA-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C#CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362804745 134214398 /nfs/dbraw/zinc/21/43/98/134214398.db2.gz FWLUYGGSFJLOJJ-CQSZACIVSA-N 2 0 220.360 1.818 20 30 BDEDRP CC1CCN(C(=[NH2+])NCC[NH+]2CCCC2)CC1 ZINC000171145411 134257345 /nfs/dbraw/zinc/25/73/45/134257345.db2.gz XEAIBFUMECEVEO-UHFFFAOYSA-N 2 0 238.379 1.129 20 30 BDEDRP C[C@H]1C[NH+]=C(NCc2cccc(C[NH+](C)C)c2)N1 ZINC000262640940 135120668 /nfs/dbraw/zinc/12/06/68/135120668.db2.gz HTBVZAUXQOJFOD-NSHDSACASA-N 2 0 246.358 1.186 20 30 BDEDRP C[C@@H]1C[NH+]=C(NC[C@H]2[N@H+](C)CCCC2(C)C)N1 ZINC000262679968 135312793 /nfs/dbraw/zinc/31/27/93/135312793.db2.gz VPZSPSNPDUCUSB-GHMZBOCLSA-N 2 0 238.379 1.044 20 30 BDEDRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCC(C)CC1 ZINC000262683224 135313141 /nfs/dbraw/zinc/31/31/41/135313141.db2.gz XGTIUMLJOQOLLX-NEPJUHHUSA-N 2 0 238.379 1.044 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000389321763 398073988 /nfs/dbraw/zinc/07/39/88/398073988.db2.gz HMFCDUBYPXOSJV-VXGBXAGGSA-N 2 0 212.337 1.296 20 30 BDEDRP C=CCOCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000643479646 398106857 /nfs/dbraw/zinc/10/68/57/398106857.db2.gz XWSZGNWPPGBKAN-RYUDHWBXSA-N 2 0 212.337 1.167 20 30 BDEDRP C=CCSCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422940551 411235348 /nfs/dbraw/zinc/23/53/48/411235348.db2.gz GZFBFYQLCZGASL-ZJUUUORDSA-N 2 0 200.351 1.375 20 30 BDEDRP C=C(C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653393 411613268 /nfs/dbraw/zinc/61/32/68/411613268.db2.gz QSOHYZDXALUERQ-CYBMUJFWSA-N 2 0 208.349 1.980 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665263765 412202953 /nfs/dbraw/zinc/20/29/53/412202953.db2.gz UHFJIHZWBWYQFQ-RYUDHWBXSA-N 2 0 212.337 1.309 20 30 BDEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000132180321 325203629 /nfs/dbraw/zinc/20/36/29/325203629.db2.gz OZCPVLWGQZOGKT-CQSZACIVSA-N 2 0 229.327 1.647 20 30 BDEDRP CC[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000566791457 326082125 /nfs/dbraw/zinc/08/21/25/326082125.db2.gz CBMWVHNYZFEEGE-AWEZNQCLSA-N 2 0 248.374 1.751 20 30 BDEDRP N#CC1(CNCc2cccc3nccn32)CC1 ZINC000568829258 326378576 /nfs/dbraw/zinc/37/85/76/326378576.db2.gz RGIBVMQYCUKVPZ-UHFFFAOYSA-N 2 0 226.283 1.728 20 30 BDEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683227275 488133567 /nfs/dbraw/zinc/13/35/67/488133567.db2.gz XAZMJWUPDWDWPW-OLZOCXBDSA-N 2 0 226.364 1.340 20 30 BDEDRP C=CCCOCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090883941 491130115 /nfs/dbraw/zinc/13/01/15/491130115.db2.gz GYRXZNSMJBNUGB-CYBMUJFWSA-N 2 0 240.391 1.899 20 30 BDEDRP C=CCCC[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308825519 491138289 /nfs/dbraw/zinc/13/82/89/491138289.db2.gz DNQOJSHYZZBZEL-AVGNSLFASA-N 2 0 208.349 1.882 20 30 BDEDRP C=CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261668902 534854159 /nfs/dbraw/zinc/85/41/59/534854159.db2.gz HOWLFOHIWWQALG-KGLIPLIRSA-N 2 0 216.328 1.847 20 30 BDEDRP C=CCOCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000339010291 534879504 /nfs/dbraw/zinc/87/95/04/534879504.db2.gz JJFKOYIOYYKAPH-AWEZNQCLSA-N 2 0 240.391 1.853 20 30 BDEDRP CCC[NH+]1CCC(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262627008 535351355 /nfs/dbraw/zinc/35/13/55/535351355.db2.gz DRQUYUNZLFLQRV-NSHDSACASA-N 2 0 238.379 1.046 20 30 BDEDRP C#CC[N@@H+](CC#CC)CC1CC[NH+](C)CC1 ZINC000892069208 582784048 /nfs/dbraw/zinc/78/40/48/582784048.db2.gz ZYBOSUIMULQYCF-UHFFFAOYSA-N 2 0 218.344 1.287 20 30 BDEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCC#N)C1 ZINC000902375544 584567854 /nfs/dbraw/zinc/56/78/54/584567854.db2.gz VXMHVMKHWFOAFH-NSHDSACASA-N 2 0 209.337 1.658 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386302 584578064 /nfs/dbraw/zinc/57/80/64/584578064.db2.gz FKYZVXUMPKGUDH-OLZOCXBDSA-N 2 0 240.391 1.681 20 30 BDEDRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(C#N)c1 ZINC000904386387 584877746 /nfs/dbraw/zinc/87/77/46/584877746.db2.gz YBZWSAQYRYMEDE-PWQPVHBWSA-N 2 0 229.327 1.946 20 30 BDEDRP C#CCOc1ccc([C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000817971906 584993723 /nfs/dbraw/zinc/99/37/23/584993723.db2.gz RAKZSOAUZCUZSM-VXGBXAGGSA-N 2 0 232.327 1.696 20 30 BDEDRP C#CCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000760841756 585398670 /nfs/dbraw/zinc/39/86/70/585398670.db2.gz RXDNXZBFIGQTAT-CYBMUJFWSA-N 2 0 208.349 1.673 20 30 BDEDRP C#CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000760842303 585399154 /nfs/dbraw/zinc/39/91/54/585399154.db2.gz GEZSKXZGAOPGCC-CHWSQXEVSA-N 2 0 208.349 1.814 20 30 BDEDRP C#CCCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781426 586489484 /nfs/dbraw/zinc/48/94/84/586489484.db2.gz FPJBHWFLJSNWRT-UHFFFAOYSA-N 2 0 239.407 1.215 20 30 BDEDRP C#Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000809595113 586508646 /nfs/dbraw/zinc/50/86/46/586508646.db2.gz FCHRNNKXYPLTPB-GJZGRUSLSA-N 2 0 226.323 1.319 20 30 BDEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917767 586840416 /nfs/dbraw/zinc/84/04/16/586840416.db2.gz HIICLJXQCCFGCX-NEPJUHHUSA-N 2 0 247.342 1.804 20 30 BDEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000817965949 586855405 /nfs/dbraw/zinc/85/54/05/586855405.db2.gz XKCQUEKNODBRJM-LBPRGKRZSA-N 2 0 244.338 1.569 20 30 BDEDRP CN1CC[NH+]=C1NCCC[NH+]1CCCCCC1 ZINC000848981552 588422342 /nfs/dbraw/zinc/42/23/42/588422342.db2.gz SVSOQVNVPPRBPP-UHFFFAOYSA-N 2 0 238.379 1.144 20 30 BDEDRP C=CCNC(=[NH2+])NCC1CC[NH+](CC)CC1 ZINC000848996285 588428946 /nfs/dbraw/zinc/42/89/46/588428946.db2.gz QSWJZLQNELIWQA-UHFFFAOYSA-N 2 0 224.352 1.018 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[NH+](CCC)CCC ZINC000848996014 588429082 /nfs/dbraw/zinc/42/90/82/588429082.db2.gz ALTLEKHMTZENEH-UHFFFAOYSA-N 2 0 240.395 1.798 20 30 BDEDRP CCn1cncc1C=NNc1cc[nH+]cc1C ZINC000863158273 589263773 /nfs/dbraw/zinc/26/37/73/589263773.db2.gz UXNIGEVPXFNPJS-UHFFFAOYSA-N 2 0 229.287 1.474 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCCC[NH3+] ZINC000876854500 590250005 /nfs/dbraw/zinc/25/00/05/590250005.db2.gz HYDRJEVUKQNFPU-NXEZZACHSA-N 2 0 247.770 1.090 20 30 BDEDRP CC#CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125240 590699166 /nfs/dbraw/zinc/69/91/66/590699166.db2.gz VEIONPBZYGDDHY-UHFFFAOYSA-N 2 0 238.375 1.300 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000883388880 591640479 /nfs/dbraw/zinc/64/04/79/591640479.db2.gz FLZMKOKXJKAYQO-CQSZACIVSA-N 2 0 240.391 1.778 20 30 BDEDRP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000883389198 591640699 /nfs/dbraw/zinc/64/06/99/591640699.db2.gz MGKJVURQMXEJHX-AWEZNQCLSA-N 2 0 240.391 1.776 20 30 BDEDRP CC[C@H](CNC(NC1CC1)=[NH+]C)[NH+]1CCCC1 ZINC000103338392 592578901 /nfs/dbraw/zinc/57/89/01/592578901.db2.gz KZERQFMVOMJEHH-GFCCVEGCSA-N 2 0 238.379 1.188 20 30 BDEDRP CC(C)NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000104168251 592602585 /nfs/dbraw/zinc/60/25/85/592602585.db2.gz VTFPUSYLCNWFAW-LLVKDONJSA-N 2 0 226.368 1.031 20 30 BDEDRP C[NH+]1CCC(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000104181686 592603799 /nfs/dbraw/zinc/60/37/99/592603799.db2.gz ZYIKMMQGCORHRZ-UHFFFAOYSA-N 2 0 238.379 1.033 20 30 BDEDRP CCC[N@H+](CC)CC[NH+]=C(N(C)C)N(C)C ZINC000176969008 632673274 /nfs/dbraw/zinc/67/32/74/632673274.db2.gz JPBSBJVFEVMWFM-UHFFFAOYSA-N 2 0 228.384 1.198 20 30 BDEDRP CCNC(NCC[NH+](C(C)C)C(C)C)=[NH+]CC ZINC000066243255 632860397 /nfs/dbraw/zinc/86/03/97/632860397.db2.gz IJRRPDKMWUNNCV-UHFFFAOYSA-N 2 0 242.411 1.680 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925682153 634285615 /nfs/dbraw/zinc/28/56/15/634285615.db2.gz UEGUPARBRPOZIV-ZDEQEGDKSA-N 2 0 233.359 1.928 20 30 BDEDRP C=CC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000904473892 637424794 /nfs/dbraw/zinc/42/47/94/637424794.db2.gz UZYMGLZTSJYIGN-NSHDSACASA-N 2 0 249.362 1.257 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000231798774 641205866 /nfs/dbraw/zinc/20/58/66/641205866.db2.gz HTLHAFJZVRXRJJ-GFCCVEGCSA-N 2 0 212.337 1.311 20 30 BDEDRP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000307488846 642397092 /nfs/dbraw/zinc/39/70/92/642397092.db2.gz DTOCMAXOHFBBFA-OUAUKWLOSA-N 2 0 214.740 1.717 20 30 BDEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N(C)C2CC2)C1 ZINC000305823593 642703424 /nfs/dbraw/zinc/70/34/24/642703424.db2.gz QAAROLXOGZXJDS-LLVKDONJSA-N 2 0 238.379 1.127 20 30 BDEDRP C=CCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000181378207 642866968 /nfs/dbraw/zinc/86/69/68/642866968.db2.gz AIIBCKJIECOWLI-LBPRGKRZSA-N 2 0 238.379 1.341 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](CC)CCC ZINC000083052919 643404379 /nfs/dbraw/zinc/40/43/79/643404379.db2.gz BFIDVPAXMJPXJV-UHFFFAOYSA-N 2 0 228.384 1.423 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923280589 644314346 /nfs/dbraw/zinc/31/43/46/644314346.db2.gz BURLHOFDNDEWOL-STQMWFEESA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281572 644315911 /nfs/dbraw/zinc/31/59/11/644315911.db2.gz NDWJPPOZOZWRPH-AWEZNQCLSA-N 2 0 238.375 1.530 20 30 BDEDRP C=CCC[C@H](O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923296173 644336068 /nfs/dbraw/zinc/33/60/68/644336068.db2.gz OJDHOKRBZQJPQR-RYUDHWBXSA-N 2 0 214.353 1.277 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923352831 644370556 /nfs/dbraw/zinc/37/05/56/644370556.db2.gz FUWJXMXTIIIZDY-QWHCGFSZSA-N 2 0 226.364 1.517 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923383593 644396702 /nfs/dbraw/zinc/39/67/02/644396702.db2.gz UMKUGIQANBENNY-RFGFWPKPSA-N 2 0 240.391 1.619 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000923423409 644420061 /nfs/dbraw/zinc/42/00/61/644420061.db2.gz QRXWAAWSHXCGMX-ZDUSSCGKSA-N 2 0 240.391 1.907 20 30 BDEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494473 644470954 /nfs/dbraw/zinc/47/09/54/644470954.db2.gz XWDBSRJORVDEJR-AGIUHOORSA-N 2 0 226.364 1.230 20 30 BDEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923497987 644474277 /nfs/dbraw/zinc/47/42/77/644474277.db2.gz HEQNQZLPFSAJKB-IUODEOHRSA-N 2 0 243.354 1.975 20 30 BDEDRP CNC(NCCCC[N@@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000303263282 644813909 /nfs/dbraw/zinc/81/39/09/644813909.db2.gz QVEAAENOXSAYET-LBPRGKRZSA-N 2 0 240.395 1.293 20 30 BDEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000303774335 644844447 /nfs/dbraw/zinc/84/44/47/644844447.db2.gz FVJAOXGCFROMRW-UHFFFAOYSA-N 2 0 226.368 1.031 20 30 BDEDRP CCN(CC)C(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303771934 644844780 /nfs/dbraw/zinc/84/47/80/644844780.db2.gz DBFLFZKIMGCUGP-UHFFFAOYSA-N 2 0 226.368 1.129 20 30 BDEDRP CC(C)CCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303896482 644856416 /nfs/dbraw/zinc/85/64/16/644856416.db2.gz UNFGUNHKWUEIRS-UHFFFAOYSA-N 2 0 240.395 1.279 20 30 BDEDRP CC[C@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCC1 ZINC000303910525 644858246 /nfs/dbraw/zinc/85/82/46/644858246.db2.gz ZAHCBHSKWIZYLO-GFCCVEGCSA-N 2 0 240.395 1.421 20 30 BDEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303974616 644861118 /nfs/dbraw/zinc/86/11/18/644861118.db2.gz ICLUJRMBSYQKEQ-LLVKDONJSA-N 2 0 240.395 1.420 20 30 BDEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000304742237 644929471 /nfs/dbraw/zinc/92/94/71/644929471.db2.gz COLSNOJSNMPGDV-LLVKDONJSA-N 2 0 240.395 1.564 20 30 BDEDRP CCCCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304765863 644932742 /nfs/dbraw/zinc/93/27/42/644932742.db2.gz ZWMRSOMXIJFHFC-UHFFFAOYSA-N 2 0 214.357 1.079 20 30 BDEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925680987 646408693 /nfs/dbraw/zinc/40/86/93/646408693.db2.gz LZBLOCXRGBYHIC-SFWGVHFYSA-N 2 0 245.370 1.655 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682330 646409455 /nfs/dbraw/zinc/40/94/55/646409455.db2.gz AXIQSYQLQBPJQI-RVMXOQNASA-N 2 0 238.375 1.826 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925771637 646473628 /nfs/dbraw/zinc/47/36/28/646473628.db2.gz NJGWZVLMCNFHAJ-IGQOVBAYSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CCC[C@H](CC)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809057 646490080 /nfs/dbraw/zinc/49/00/80/646490080.db2.gz HQBPYWXKIDBNBH-AWEZNQCLSA-N 2 0 239.407 1.744 20 30 BDEDRP C#CC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000716853501 712578606 /nfs/dbraw/zinc/57/86/06/712578606.db2.gz AGSFFHGJIXVZNT-MJBXVCDLSA-N 2 0 236.359 1.241 20 30 BDEDRP C#CCN(C)CCC[NH2+]Cc1nc(C)ccc1O ZINC000385731439 711017875 /nfs/dbraw/zinc/01/78/75/711017875.db2.gz KQAJEFRFQRDGAG-UHFFFAOYSA-N 2 0 247.342 1.140 20 30 BDEDRP CC[NH+](CC)CCO[C@H](CC#N)C[N+](C)(C)C ZINC001224927161 965102763 /nfs/dbraw/zinc/10/27/63/965102763.db2.gz DTHZEYSOEGQLKS-CYBMUJFWSA-N 2 0 242.387 1.333 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252575039 968825755 /nfs/dbraw/zinc/82/57/55/968825755.db2.gz URTDZNNYNVYDSB-ZDUSSCGKSA-N 2 0 226.364 1.245 20 30 BDEDRP C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252574001 968826042 /nfs/dbraw/zinc/82/60/42/968826042.db2.gz KEZYUWRVTOXVQC-RNJOBUHISA-N 2 0 224.348 1.138 20 30 BDEDRP C#CCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209268903 969418867 /nfs/dbraw/zinc/41/88/67/969418867.db2.gz AJDKCCNBPWVGAX-CHWSQXEVSA-N 2 0 206.333 1.283 20 30 BDEDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(C#N)C2)CC1 ZINC001254513089 969682185 /nfs/dbraw/zinc/68/21/85/969682185.db2.gz WUZWJJNBBUFCCN-MOENNCHZSA-N 2 0 207.321 1.362 20 30 BDEDRP C[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)C1 ZINC001255416341 970139358 /nfs/dbraw/zinc/13/93/58/970139358.db2.gz ZPRSDTWPLPKQCN-SECBINFHSA-N 2 0 238.722 1.144 20 30 BDEDRP C#C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256628397 970892927 /nfs/dbraw/zinc/89/29/27/970892927.db2.gz FERHTDZTIJYSPX-JKXDFHQYSA-N 2 0 232.371 1.957 20 30 BDEDRP C=C1CC[NH2+]C[C@@H]1OCc1cccc(C[NH3+])c1 ZINC001217833660 971426940 /nfs/dbraw/zinc/42/69/40/971426940.db2.gz ZBPZLNFLAIIPAV-AWEZNQCLSA-N 2 0 232.327 1.580 20 30 BDEDRP C=C1C[C@@H]2CC([NH2+]C[C@H](O)C[NH3+])C[C@H](C1)C2 ZINC001257887086 971520502 /nfs/dbraw/zinc/52/05/02/971520502.db2.gz IAJQWLYAGNWIFO-ZGVCCVRISA-N 2 0 224.348 1.031 20 30 BDEDRP N#Cc1cc2c(cccc2N[C@@H]([NH3+])CCC[NH3+])[nH]1 ZINC001170900139 972063095 /nfs/dbraw/zinc/06/30/95/972063095.db2.gz IVIROKCKEUFSJA-CYBMUJFWSA-N 2 0 243.314 1.475 20 30 BDEDRP N#CCCOc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170901134 972068216 /nfs/dbraw/zinc/06/82/16/972068216.db2.gz XENSIDBPWCGOOG-ZDUSSCGKSA-N 2 0 248.330 1.415 20 30 BDEDRP C#CCN(C)CCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000689825937 958340083 /nfs/dbraw/zinc/34/00/83/958340083.db2.gz BENUFGHDEWDLAW-ZIAGYGMSSA-N 2 0 238.375 1.346 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CNc1cc(N)cc[nH+]1 ZINC001160952052 964456663 /nfs/dbraw/zinc/45/66/63/964456663.db2.gz PKVQQDDNZNZNPR-LBPRGKRZSA-N 2 0 232.331 1.726 20 30 BDEDRP C#CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168361034 964599560 /nfs/dbraw/zinc/59/95/60/964599560.db2.gz ZNAQFQWUPLWXRD-UHFFFAOYSA-N 2 0 206.333 1.474 20 30 BDEDRP C=CC(NC[C@@H]1CCC[NH2+]C[C@H]1C)=[NH+]COC ZINC001162459020 964988514 /nfs/dbraw/zinc/98/85/14/964988514.db2.gz BGAQKYFOTRABQQ-NEPJUHHUSA-N 2 0 239.363 1.400 20 30 BDEDRP C[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH2+]CC1 ZINC000094010933 965364202 /nfs/dbraw/zinc/36/42/02/965364202.db2.gz AJHLNVXSQJZHQV-UHFFFAOYSA-N 2 0 243.354 1.990 20 30 BDEDRP N#CCc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053918 967307227 /nfs/dbraw/zinc/30/72/27/967307227.db2.gz VDISGXFRSYNOKQ-UHFFFAOYSA-N 2 0 243.354 1.923 20 30 BDEDRP C#Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205110466 967357461 /nfs/dbraw/zinc/35/74/61/967357461.db2.gz SUGUWPFBHADVHO-HNNXBMFYSA-N 2 0 228.339 1.981 20 30 BDEDRP C#CCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205984614 967935075 /nfs/dbraw/zinc/93/50/75/967935075.db2.gz SNZLTWXLRQFZEV-QWHCGFSZSA-N 2 0 208.349 1.707 20 30 BDEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001207439678 968775664 /nfs/dbraw/zinc/77/56/64/968775664.db2.gz ZMTCBUQCARMJNT-ZSOGYDGISA-N 2 0 233.359 1.753 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001252573003 968821948 /nfs/dbraw/zinc/82/19/48/968821948.db2.gz XHISEELRRRJARX-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001252577604 968829520 /nfs/dbraw/zinc/82/95/20/968829520.db2.gz LCXJPYSSDXDNRJ-AWEZNQCLSA-N 2 0 238.375 1.530 20 30 BDEDRP C=C[C@](C)(O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001252577608 968830574 /nfs/dbraw/zinc/83/05/74/968830574.db2.gz LFDHIDKMPORDFD-BPCQOVAHSA-N 2 0 226.364 1.386 20 30 BDEDRP C=CCC[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001252613267 968870444 /nfs/dbraw/zinc/87/04/44/968870444.db2.gz YAHGVGUGGUMYDV-AWEZNQCLSA-N 2 0 240.391 1.779 20 30 BDEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252615657 968874476 /nfs/dbraw/zinc/87/44/76/968874476.db2.gz CBAXCDLEPOLJQK-CQSZACIVSA-N 2 0 240.391 1.635 20 30 BDEDRP C[N@@H+]1CCC[C@@H]([NH2+]CCCS)CC1 ZINC001254507056 969653884 /nfs/dbraw/zinc/65/38/84/969653884.db2.gz DXLYOPXKSFBKIV-SNVBAGLBSA-N 2 0 202.367 1.380 20 30 BDEDRP C=C(C)C(=O)OCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254502352 969668150 /nfs/dbraw/zinc/66/81/50/969668150.db2.gz DCXCEAOVBXQFOD-LBPRGKRZSA-N 2 0 240.347 1.180 20 30 BDEDRP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001254645428 969760621 /nfs/dbraw/zinc/76/06/21/969760621.db2.gz BOLRFNFKIGRVNP-FZMZJTMJSA-N 2 0 229.327 1.927 20 30 BDEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH3+])C1 ZINC001254645427 969761342 /nfs/dbraw/zinc/76/13/42/969761342.db2.gz BOLRFNFKIGRVNP-BXUZGUMPSA-N 2 0 229.327 1.927 20 30 BDEDRP CC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254647741 969762745 /nfs/dbraw/zinc/76/27/45/969762745.db2.gz VEYVAEPQPAAKEK-MNOVXSKESA-N 2 0 207.321 1.492 20 30 BDEDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1 ZINC001254678993 969784289 /nfs/dbraw/zinc/78/42/89/969784289.db2.gz JHOABRATLJUZEM-AAVRWANBSA-N 2 0 233.359 1.562 20 30 BDEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cn1 ZINC001222537985 972555317 /nfs/dbraw/zinc/55/53/17/972555317.db2.gz KDPKGUYEYIXJSH-UHFFFAOYSA-N 2 0 248.305 1.216 20 30 BDEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246567419 972817014 /nfs/dbraw/zinc/81/70/14/972817014.db2.gz KUVKVLQHVPBKAF-AAVRWANBSA-N 2 0 235.375 1.985 20 30 BDEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001171204480 972923787 /nfs/dbraw/zinc/92/37/87/972923787.db2.gz YIDAQJKFPPUFNZ-BYCMXARLSA-N 2 0 243.354 1.959 20 30 BDEDRP N#CC[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246798287 973099757 /nfs/dbraw/zinc/09/97/57/973099757.db2.gz QSTIIXMJPLWVHZ-HABKJSAYSA-N 2 0 233.359 1.895 20 30 BDEDRP C=C(C)CC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146727704 973237399 /nfs/dbraw/zinc/23/73/99/973237399.db2.gz LXHXVVUYWWHJAM-UHFFFAOYSA-N 2 0 241.379 1.000 20 30 BDEDRP C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC001332009526 974917013 /nfs/dbraw/zinc/91/70/13/974917013.db2.gz HIMKEIPRUVVVNU-UTUOFQBUSA-N 2 0 209.337 1.608 20 30 BDEDRP C#CC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173104945 975022383 /nfs/dbraw/zinc/02/23/83/975022383.db2.gz MXLYKYCHMWHUTE-UHFFFAOYSA-N 2 0 208.349 1.862 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC001333776197 976063101 /nfs/dbraw/zinc/06/31/01/976063101.db2.gz DLJLPBGMDOTWMD-OLZOCXBDSA-N 2 0 224.348 1.261 20 30 BDEDRP CCCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234972583 978938277 /nfs/dbraw/zinc/93/82/77/978938277.db2.gz ZMQNMCRCSFOVCN-ZIAGYGMSSA-N 2 0 240.391 1.877 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001340334860 979013646 /nfs/dbraw/zinc/01/36/46/979013646.db2.gz SZQACCCKEIBZMZ-WDEREUQCSA-N 2 0 241.379 1.160 20 30 BDEDRP C=CC[NH2+]CCN1CC[NH2+][C@@H](CCCC)C1 ZINC001236135125 979401892 /nfs/dbraw/zinc/40/18/92/979401892.db2.gz OCXGXCYIZQPMMM-ZDUSSCGKSA-N 2 0 225.380 1.226 20 30 BDEDRP C=CC[NH2+]CCN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205604016 981174323 /nfs/dbraw/zinc/17/43/23/981174323.db2.gz UDQBGPRCMQRYJB-STQMWFEESA-N 2 0 225.380 1.069 20 30 BDEDRP CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939316 983576258 /nfs/dbraw/zinc/57/62/58/983576258.db2.gz PQZMODAKYZZHFX-CHWSQXEVSA-N 2 0 228.380 1.741 20 30 BDEDRP C=CCC[C@H](C)[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001258720182 986048645 /nfs/dbraw/zinc/04/86/45/986048645.db2.gz TZCKDFMMYNUSEI-AWEZNQCLSA-N 2 0 239.407 1.568 20 30 BDEDRP C#C[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C(C)C ZINC001462211176 986311471 /nfs/dbraw/zinc/31/14/71/986311471.db2.gz NCTNEBKQYWXPDO-CQSZACIVSA-N 2 0 222.376 1.966 20 30 BDEDRP N#CCC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC001580047484 986480520 /nfs/dbraw/zinc/48/05/20/986480520.db2.gz IZZZBMRIHXHPSH-LLVKDONJSA-N 2 0 207.321 1.269 20 30 BDEDRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)C[C@@H]2C1 ZINC001254671663 986719160 /nfs/dbraw/zinc/71/91/60/986719160.db2.gz SQMGMLGRDGVWOS-RVMXOQNASA-N 2 0 219.332 1.172 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246018333 987301322 /nfs/dbraw/zinc/30/13/22/987301322.db2.gz AVXRTLOKOOMUSP-ZIAGYGMSSA-N 2 0 240.391 1.764 20 30 BDEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246017605 987301443 /nfs/dbraw/zinc/30/14/43/987301443.db2.gz RYCSTMLHJVFSRQ-NEPJUHHUSA-N 2 0 212.337 1.127 20 30 BDEDRP C=CCOC1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC001246188076 987571430 /nfs/dbraw/zinc/57/14/30/987571430.db2.gz UJOPYDSNYHZFBV-ROKHWSDSSA-N 2 0 238.375 1.842 20 30 BDEDRP C=CC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246364934 987770252 /nfs/dbraw/zinc/77/02/52/987770252.db2.gz VKACSUJLFXVTHB-IHRRRGAJSA-N 2 0 237.391 1.367 20 30 BDEDRP C#CCC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001474693140 987802768 /nfs/dbraw/zinc/80/27/68/987802768.db2.gz NUCFARCZHLODCR-CQSZACIVSA-N 2 0 238.375 1.082 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246475362 987830760 /nfs/dbraw/zinc/83/07/60/987830760.db2.gz GNUNBRDWNWHVCN-QCNOEVLYSA-N 2 0 207.321 1.538 20 30 BDEDRP N#CC1CCC([NH+]2CCC(C[NH3+])CC2)CC1 ZINC001246536626 987895480 /nfs/dbraw/zinc/89/54/80/987895480.db2.gz AIEXXHBNRFMFNM-UHFFFAOYSA-N 2 0 221.348 1.739 20 30 BDEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246542774 987907574 /nfs/dbraw/zinc/90/75/74/987907574.db2.gz KZKDPSDDDNBXQQ-CHWSQXEVSA-N 2 0 226.364 1.517 20 30 BDEDRP N#C[C@@H]1CC[C@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246609027 988233215 /nfs/dbraw/zinc/23/32/15/988233215.db2.gz KNQZPKMGECGEPF-HZSPNIEDSA-N 2 0 233.359 1.897 20 30 BDEDRP N#C[C@@H]1CC[C@@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246609043 988233805 /nfs/dbraw/zinc/23/38/05/988233805.db2.gz KNQZPKMGECGEPF-MCIONIFRSA-N 2 0 233.359 1.897 20 30 BDEDRP C=CCC[C@@H](C)[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859614 988588638 /nfs/dbraw/zinc/58/86/38/988588638.db2.gz LUAUMTCIJFARMC-FKJOKYEKSA-N 2 0 224.348 1.247 20 30 BDEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001326143677 989392885 /nfs/dbraw/zinc/39/28/85/989392885.db2.gz ZLFVLKGDKZJEHN-IEECTRCBSA-N 2 0 237.347 1.021 20 30 BDEDRP C#CCOCC[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001574735239 992895557 /nfs/dbraw/zinc/89/55/57/992895557.db2.gz CZFBJAPYSSZQFX-ZIAGYGMSSA-N 2 0 236.359 1.087 20 30 BDEDRP CC(C)(C[NH3+])C[NH2+]Cc1ccc(C#N)s1 ZINC001575315852 993010533 /nfs/dbraw/zinc/01/05/33/993010533.db2.gz ZBWWUNXXMVCINY-UHFFFAOYSA-N 2 0 223.345 1.694 20 30 BDEDRP C[C@H](CCC#N)C[NH2+]CCC1(C[NH3+])CC1 ZINC001575941150 993133153 /nfs/dbraw/zinc/13/31/53/993133153.db2.gz KHWUJXUMDDWZSQ-LLVKDONJSA-N 2 0 209.337 1.645 20 30 BDEDRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000390475622 993791864 /nfs/dbraw/zinc/79/18/64/993791864.db2.gz KOACOTRDBIQDTC-NEPJUHHUSA-N 2 0 223.364 1.856 20 30 BDEDRP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000649353850 398165938 /nfs/dbraw/zinc/16/59/38/398165938.db2.gz XHTDQAIWBGAJMJ-MCIONIFRSA-N 2 0 238.375 1.340 20 30 BDEDRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000336779281 136221549 /nfs/dbraw/zinc/22/15/49/136221549.db2.gz NUMZJWLRXSAWHW-NEPJUHHUSA-N 2 0 221.348 1.610 20 30 BDEDRP C[NH+]1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000037267412 361793751 /nfs/dbraw/zinc/79/37/51/361793751.db2.gz ZEJNOQLOMBGGTL-UHFFFAOYSA-N 2 0 247.317 1.881 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000389378012 539016200 /nfs/dbraw/zinc/01/62/00/539016200.db2.gz BNUXVGNSHDXXER-VXGBXAGGSA-N 2 0 212.337 1.261 20 30 BDEDRP C[C@@H]1C[C@@H]([N@H+](C)CCOCCC#N)CCN1C ZINC000339010358 136280006 /nfs/dbraw/zinc/28/00/06/136280006.db2.gz LYQQVMQHWCSFIB-OLZOCXBDSA-N 2 0 239.363 1.331 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CN1C1CC1 ZINC000349326190 136341752 /nfs/dbraw/zinc/34/17/52/136341752.db2.gz TVVFHYKZIVJVTC-LPWJVIDDSA-N 2 0 233.359 1.893 20 30 BDEDRP CC[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000337885657 344255330 /nfs/dbraw/zinc/25/53/30/344255330.db2.gz VRSWZHHQYWOMIU-LBPRGKRZSA-N 2 0 247.342 1.973 20 30 BDEDRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000600712885 344361704 /nfs/dbraw/zinc/36/17/04/344361704.db2.gz CFFCAVMDKIECCG-FIQHERPVSA-N 2 0 207.321 1.409 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1C ZINC000158265859 345313836 /nfs/dbraw/zinc/31/38/36/345313836.db2.gz LYOXLRNHODTPDR-VXGBXAGGSA-N 2 0 221.348 1.753 20 30 BDEDRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000591577151 347676911 /nfs/dbraw/zinc/67/69/11/347676911.db2.gz QOYIZVSVFISKJM-NWDGAFQWSA-N 2 0 209.337 1.658 20 30 BDEDRP N#CCCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470791 347790084 /nfs/dbraw/zinc/79/00/84/347790084.db2.gz HMIFOPVRNQEOTE-YNEHKIRRSA-N 2 0 221.348 1.658 20 30 BDEDRP C[NH+](C)C1CC([NH2+]CC(C)(C)CCC#N)C1 ZINC000594514694 348061838 /nfs/dbraw/zinc/06/18/38/348061838.db2.gz ZJIGZMIROPJBSD-UHFFFAOYSA-N 2 0 223.364 1.999 20 30 BDEDRP N#Cc1ccc(CCN2CCC[C@@H]([NH3+])C2)cc1 ZINC000595892901 348390845 /nfs/dbraw/zinc/39/08/45/348390845.db2.gz OUFQLNQPFJCMCS-CQSZACIVSA-N 2 0 229.327 1.524 20 30 BDEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000596649895 348605272 /nfs/dbraw/zinc/60/52/72/348605272.db2.gz HDGXWORDMHEPHF-LSDHHAIUSA-N 2 0 243.354 1.960 20 30 BDEDRP N#CC[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000397762499 350005184 /nfs/dbraw/zinc/00/51/84/350005184.db2.gz LJVKEXONLYLXPG-LBPRGKRZSA-N 2 0 218.304 1.509 20 30 BDEDRP CC#CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365405594 350269344 /nfs/dbraw/zinc/26/93/44/350269344.db2.gz SUKCBPCLFAKFFI-CYBMUJFWSA-N 2 0 208.349 1.816 20 30 BDEDRP Cc1nccn1CCN(C[C@H](C)C#N)C1CC1 ZINC000336716589 350471717 /nfs/dbraw/zinc/47/17/17/350471717.db2.gz VVXQQXRYJMAYFW-LLVKDONJSA-N 2 0 232.331 1.816 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542341 362960776 /nfs/dbraw/zinc/96/07/76/362960776.db2.gz WLEONNZKMCGQJT-CHWSQXEVSA-N 2 0 240.391 1.776 20 30 BDEDRP C=CCCC[NH2+][C@H](CCC[NH3+])COC ZINC000336698706 351041113 /nfs/dbraw/zinc/04/11/13/351041113.db2.gz VQRYYSOGUCZJSC-LLVKDONJSA-N 2 0 200.326 1.296 20 30 BDEDRP C[C@H](CNC(=[NH2+])Nc1ccccn1)C[NH+](C)C ZINC000291811867 352289826 /nfs/dbraw/zinc/28/98/26/352289826.db2.gz BPIHVLXXLPQCAR-SNVBAGLBSA-N 2 0 235.335 1.006 20 30 BDEDRP CC#CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160480725 353262680 /nfs/dbraw/zinc/26/26/80/353262680.db2.gz AQPATBUCEGWOOG-UHFFFAOYSA-N 2 0 220.360 1.818 20 30 BDEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CC)CC1 ZINC000336772067 353311512 /nfs/dbraw/zinc/31/15/12/353311512.db2.gz VCCBHTVFNGJIPI-GFCCVEGCSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423014118 192540306 /nfs/dbraw/zinc/54/03/06/192540306.db2.gz OKXZRYGWIYZXGF-CHWSQXEVSA-N 2 0 226.364 1.557 20 30 BDEDRP C=CCCC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639762810 356686887 /nfs/dbraw/zinc/68/68/87/356686887.db2.gz OODIPOGGRVECIB-ZDUSSCGKSA-N 2 0 226.364 1.341 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423187602 192615242 /nfs/dbraw/zinc/61/52/42/192615242.db2.gz YGWLPPXQZOPGAQ-ZIAGYGMSSA-N 2 0 239.407 1.472 20 30 BDEDRP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149860 357026266 /nfs/dbraw/zinc/02/62/66/357026266.db2.gz XHBDXWGQYNXCEW-ZIAGYGMSSA-N 2 0 229.327 1.775 20 30 BDEDRP N#CCC[NH2+]CCc1cn2ccccc2n1 ZINC000583138898 357499359 /nfs/dbraw/zinc/49/93/59/357499359.db2.gz NVAQTHXGVKBJTH-UHFFFAOYSA-N 2 0 214.272 1.380 20 30 BDEDRP C=CC[N@@H+](CCOC)Cc1cccc2nccn21 ZINC000191763864 357794958 /nfs/dbraw/zinc/79/49/58/357794958.db2.gz WYCMEEOSARXGIU-UHFFFAOYSA-N 2 0 245.326 1.969 20 30 BDEDRP CCNC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000264082366 535424295 /nfs/dbraw/zinc/42/42/95/535424295.db2.gz HWXAFKOTVSLNGV-UHFFFAOYSA-N 2 0 248.374 1.563 20 30 BDEDRP C=CC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003595 360052401 /nfs/dbraw/zinc/05/24/01/360052401.db2.gz BINWZHWAZZMTFO-GFCCVEGCSA-N 2 0 219.332 1.861 20 30 BDEDRP C=CCOCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000309498119 491150276 /nfs/dbraw/zinc/15/02/76/491150276.db2.gz ZAAZMFSGZQSIRB-CHWSQXEVSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387984 361040389 /nfs/dbraw/zinc/04/03/89/361040389.db2.gz LMRKQFFYJIACAT-VXGBXAGGSA-N 2 0 226.364 1.685 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000424368994 200923538 /nfs/dbraw/zinc/92/35/38/200923538.db2.gz BXFKKPQCBHWZJP-AGIUHOORSA-N 2 0 226.364 1.685 20 30 BDEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161881455 201215034 /nfs/dbraw/zinc/21/50/34/201215034.db2.gz QJWWQYBIRTYLEQ-CHWSQXEVSA-N 2 0 226.364 1.651 20 30 BDEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000405241549 369449085 /nfs/dbraw/zinc/44/90/85/369449085.db2.gz BKHOFGZWUQGMPA-OLZOCXBDSA-N 2 0 229.327 1.774 20 30 BDEDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(C#N)c1 ZINC000600711087 369561168 /nfs/dbraw/zinc/56/11/68/369561168.db2.gz QVVBNFYHAHWMNX-GFCCVEGCSA-N 2 0 247.342 1.574 20 30 BDEDRP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000600769757 369563674 /nfs/dbraw/zinc/56/36/74/369563674.db2.gz QLTDMFMYJHQXFU-TXEJJXNPSA-N 2 0 245.326 1.583 20 30 BDEDRP N#Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)o1 ZINC000600770458 369566151 /nfs/dbraw/zinc/56/61/51/369566151.db2.gz ZSWIBJXDOQYJIC-GFCCVEGCSA-N 2 0 231.299 1.383 20 30 BDEDRP N#Cc1ccccc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000313361358 370581029 /nfs/dbraw/zinc/58/10/29/370581029.db2.gz TWGLOPRMVIXICP-AWEZNQCLSA-N 2 0 245.326 1.108 20 30 BDEDRP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424382120 206039253 /nfs/dbraw/zinc/03/92/53/206039253.db2.gz ZVHZOGJHXWNDKC-YVECIDJPSA-N 2 0 221.348 1.928 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424382118 206040276 /nfs/dbraw/zinc/04/02/76/206040276.db2.gz ZVHZOGJHXWNDKC-UMSGYPCISA-N 2 0 221.348 1.928 20 30 BDEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206604 533045154 /nfs/dbraw/zinc/04/51/54/533045154.db2.gz ZCFGNDGDUFRXFO-OAHLLOKOSA-N 2 0 249.402 1.110 20 30 BDEDRP C=C(C)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808540 384511533 /nfs/dbraw/zinc/51/15/33/384511533.db2.gz IIIMSZOIRAGZDV-ZDUSSCGKSA-N 2 0 208.349 1.980 20 30 BDEDRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000044535348 384658096 /nfs/dbraw/zinc/65/80/96/384658096.db2.gz SENPBJSJCQJBIK-OAHLLOKOSA-N 2 0 243.354 1.990 20 30 BDEDRP C=CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363710818 384721209 /nfs/dbraw/zinc/72/12/09/384721209.db2.gz FXITYPPRPSJNAE-MELADBBJSA-N 2 0 238.375 1.651 20 30 BDEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccccn1 ZINC000170909002 385454514 /nfs/dbraw/zinc/45/45/14/385454514.db2.gz DLJSABQASQQXAV-UHFFFAOYSA-N 2 0 247.346 1.294 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794231 385733493 /nfs/dbraw/zinc/73/34/93/385733493.db2.gz VOBRKQHTCBMFQX-REWJHTLYSA-N 2 0 238.375 1.149 20 30 BDEDRP C[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@H]2CCC[C@@H]21 ZINC000309597394 385725873 /nfs/dbraw/zinc/72/58/73/385725873.db2.gz WPJISQLDHCPSNC-AGIUHOORSA-N 2 0 221.348 1.753 20 30 BDEDRP C#CC[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369158132 533150775 /nfs/dbraw/zinc/15/07/75/533150775.db2.gz WDPOMTFNJWQUMB-UHFFFAOYSA-N 2 0 249.402 1.112 20 30 BDEDRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000569366621 385988373 /nfs/dbraw/zinc/98/83/73/385988373.db2.gz CVSAHNLRDMZZGM-NSHDSACASA-N 2 0 217.316 1.503 20 30 BDEDRP C[N@@H+]1CCC[C@H]2CN(CC3(C#N)CC3)CC[C@@H]21 ZINC000334460954 386123766 /nfs/dbraw/zinc/12/37/66/386123766.db2.gz VIRLKAWDWBBJEY-STQMWFEESA-N 2 0 233.359 1.706 20 30 BDEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423414296 387246307 /nfs/dbraw/zinc/24/63/07/387246307.db2.gz BVNOWWWQPNIAFS-MELADBBJSA-N 2 0 240.391 1.945 20 30 BDEDRP C=CCC[C@H](CCC)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424277 387251045 /nfs/dbraw/zinc/25/10/45/387251045.db2.gz FQOZCPJTWBZPIB-WUHRBBMRSA-N 2 0 208.349 1.929 20 30 BDEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000423561121 387374750 /nfs/dbraw/zinc/37/47/50/387374750.db2.gz PTWUFJSGOKBJII-WCQYABFASA-N 2 0 221.348 1.800 20 30 BDEDRP C=C[C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896117 387534241 /nfs/dbraw/zinc/53/42/41/387534241.db2.gz MXXDNONXUQHRJN-JTQLQIEISA-N 2 0 235.331 1.806 20 30 BDEDRP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000328119349 387878216 /nfs/dbraw/zinc/87/82/16/387878216.db2.gz QIXKCFUFGIPKGN-UONOGXRCSA-N 2 0 249.402 1.156 20 30 BDEDRP N#CCC1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423092246 387883199 /nfs/dbraw/zinc/88/31/99/387883199.db2.gz BBWXSCVSCRFQRC-UHFFFAOYSA-N 2 0 221.348 1.787 20 30 BDEDRP C[C@@H]1C[C@H]([NH2+]CCCCC#N)CC[N@@H+]1C ZINC000156230885 387942458 /nfs/dbraw/zinc/94/24/58/387942458.db2.gz LIWALUVNSIVAMF-VXGBXAGGSA-N 2 0 209.337 1.753 20 30 BDEDRP C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCC[NH2+]1 ZINC000423164343 387948732 /nfs/dbraw/zinc/94/87/32/387948732.db2.gz WVUWWQFDUYZRKJ-VOAKCMCISA-N 2 0 221.348 1.799 20 30 BDEDRP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000424362694 387990648 /nfs/dbraw/zinc/99/06/48/387990648.db2.gz AQRSWHZNUVGAHN-UTUOFQBUSA-N 2 0 207.321 1.410 20 30 BDEDRP C=CCn1cc(C[NH2+]C2CCC(C[NH3+])CC2)nn1 ZINC000424367966 387992358 /nfs/dbraw/zinc/99/23/58/387992358.db2.gz AJDBYBJNMVMSSR-UHFFFAOYSA-N 2 0 249.362 1.071 20 30 BDEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000105480521 387984274 /nfs/dbraw/zinc/98/42/74/387984274.db2.gz FJPSUPASGBRIHC-WFASDCNBSA-N 2 0 243.354 1.988 20 30 BDEDRP C=CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)C1CC1 ZINC000423201199 387987046 /nfs/dbraw/zinc/98/70/46/387987046.db2.gz IBCDCGFWNAURRE-AWEZNQCLSA-N 2 0 237.391 1.226 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000424375972 387998848 /nfs/dbraw/zinc/99/88/48/387998848.db2.gz LBLRJDAXSQOPLL-RQJABVFESA-N 2 0 238.375 1.698 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000424383086 388001641 /nfs/dbraw/zinc/00/16/41/388001641.db2.gz SZEXVTGQEHQDNF-VOAKCMCISA-N 2 0 224.348 1.295 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449520365 388222887 /nfs/dbraw/zinc/22/28/87/388222887.db2.gz PBKQBXWXFIFZBV-FQUUOJAGSA-N 2 0 236.359 1.546 20 30 BDEDRP C#CCN(C[C@H](O)C[N@@H+](C)CC)C1CCCC1 ZINC000491724219 388314831 /nfs/dbraw/zinc/31/48/31/388314831.db2.gz FIDRNFVQTHGTJD-CQSZACIVSA-N 2 0 238.375 1.177 20 30 BDEDRP C#CCN(CCC[NH+]1CCCC1)C1CC1 ZINC000491791664 388321254 /nfs/dbraw/zinc/32/12/54/388321254.db2.gz AOFUUIYSKMZDGU-UHFFFAOYSA-N 2 0 206.333 1.570 20 30 BDEDRP C#CC[NH+](C)CCCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491209519 388277337 /nfs/dbraw/zinc/27/73/37/388277337.db2.gz IHTAFXLZJTYRIN-HIFRSBDPSA-N 2 0 249.402 1.014 20 30 BDEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000649248503 388468989 /nfs/dbraw/zinc/46/89/89/388468989.db2.gz MJARFTOPSYMIEN-CYBMUJFWSA-N 2 0 226.364 1.197 20 30 BDEDRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(C#N)cc1 ZINC000037714782 388586260 /nfs/dbraw/zinc/58/62/60/388586260.db2.gz ZXMDOQNJWBOCBD-LLVKDONJSA-N 2 0 217.316 1.948 20 30 BDEDRP C[C@@H]1CCNC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423094604 388687781 /nfs/dbraw/zinc/68/77/81/388687781.db2.gz CCRNPCOGGQYYNJ-DOMZBBRYSA-N 2 0 243.354 1.688 20 30 BDEDRP C[C@@H](CCC[NH3+])[NH2+]CCc1cccc(C#N)c1 ZINC000423102653 388687861 /nfs/dbraw/zinc/68/78/61/388687861.db2.gz OKDYEXCSQKJLNR-LBPRGKRZSA-N 2 0 231.343 1.818 20 30 BDEDRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1C#N ZINC000423129022 388688915 /nfs/dbraw/zinc/68/89/15/388688915.db2.gz WKLASQHWTWHFRK-GHMZBOCLSA-N 2 0 247.342 1.782 20 30 BDEDRP C=C(C)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350260535 533511912 /nfs/dbraw/zinc/51/19/12/533511912.db2.gz WSWXIMWACJPGLA-AWEZNQCLSA-N 2 0 240.391 1.995 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000331616279 134000814 /nfs/dbraw/zinc/00/08/14/134000814.db2.gz DSTTYLVEQSCFEX-LOWDOPEQSA-N 2 0 221.348 1.928 20 30 BDEDRP C=CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371424770 134228491 /nfs/dbraw/zinc/22/84/91/134228491.db2.gz PPAYWBRDTDFGBS-CQSZACIVSA-N 2 0 237.391 1.132 20 30 BDEDRP C=CCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000339124920 135060283 /nfs/dbraw/zinc/06/02/83/135060283.db2.gz MIXNSKIYHQOFLK-ZDUSSCGKSA-N 2 0 226.364 1.605 20 30 BDEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000264324774 135138226 /nfs/dbraw/zinc/13/82/26/135138226.db2.gz YMIXBFKNAMQLLG-LLVKDONJSA-N 2 0 226.368 1.197 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000341871918 135243839 /nfs/dbraw/zinc/24/38/39/135243839.db2.gz DJECFRZYDVCKKQ-XDQVBPFNSA-N 2 0 240.391 1.489 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000261878745 135259320 /nfs/dbraw/zinc/25/93/20/135259320.db2.gz QOAIMAAVWVCRND-RYUDHWBXSA-N 2 0 238.379 1.340 20 30 BDEDRP C/[NH+]=C(\N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262457077 135300373 /nfs/dbraw/zinc/30/03/73/135300373.db2.gz LIWFFJRMGNWZRQ-VEOJIXDASA-N 2 0 238.379 1.094 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCCC(C)(C)C2)N1 ZINC000262686227 135313493 /nfs/dbraw/zinc/31/34/93/135313493.db2.gz YMDRDTSQGWXVSV-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C=CCOCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000348171572 136042750 /nfs/dbraw/zinc/04/27/50/136042750.db2.gz VOUJQLNUGQJFBH-CQSZACIVSA-N 2 0 240.391 1.995 20 30 BDEDRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000564727492 398039253 /nfs/dbraw/zinc/03/92/53/398039253.db2.gz FHFXSBJWWHXPFH-SWLSCSKDSA-N 2 0 243.354 1.792 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400945800 411165734 /nfs/dbraw/zinc/16/57/34/411165734.db2.gz USSAZBGLYFIKKM-REWJHTLYSA-N 2 0 238.375 1.291 20 30 BDEDRP C=CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662289954 412079369 /nfs/dbraw/zinc/07/93/69/412079369.db2.gz AOPNGFPZZKBYJR-ZDUSSCGKSA-N 2 0 208.349 1.884 20 30 BDEDRP C=CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000662299909 412086717 /nfs/dbraw/zinc/08/67/17/412086717.db2.gz ZKVUIXSCRAMSER-CHWSQXEVSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665263764 412202797 /nfs/dbraw/zinc/20/27/97/412202797.db2.gz UHFJIHZWBWYQFQ-NWDGAFQWSA-N 2 0 212.337 1.309 20 30 BDEDRP C=CCOCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665263143 412205664 /nfs/dbraw/zinc/20/56/64/412205664.db2.gz GTKZVDRVOZARAK-GHMZBOCLSA-N 2 0 200.326 1.295 20 30 BDEDRP C=CCOCCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000665263898 412206921 /nfs/dbraw/zinc/20/69/21/412206921.db2.gz XRTVRAWMPVAPOB-STQMWFEESA-N 2 0 226.364 1.699 20 30 BDEDRP CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000276766460 173112541 /nfs/dbraw/zinc/11/25/41/173112541.db2.gz NTJOMHDXGSDBIB-GFCCVEGCSA-N 2 0 246.358 1.280 20 30 BDEDRP N#CCC[NH2+]CCCCC[NH+]1CCCC1 ZINC000570510053 323061733 /nfs/dbraw/zinc/06/17/33/323061733.db2.gz VWIWOBYUMTYCSW-UHFFFAOYSA-N 2 0 209.337 1.756 20 30 BDEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566483108 326056425 /nfs/dbraw/zinc/05/64/25/326056425.db2.gz RMWAVTYQQCTXGK-IRCOFANPSA-N 2 0 207.321 1.538 20 30 BDEDRP C=CCOCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000303550933 490167247 /nfs/dbraw/zinc/16/72/47/490167247.db2.gz NMBFELJMTGOUCG-GFCCVEGCSA-N 2 0 226.364 1.509 20 30 BDEDRP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341882378 534399776 /nfs/dbraw/zinc/39/97/76/534399776.db2.gz HBGCUVHNWZUFKZ-MJBXVCDLSA-N 2 0 238.375 1.387 20 30 BDEDRP C=CCNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000066245039 534518922 /nfs/dbraw/zinc/51/89/22/534518922.db2.gz DVFITYGEDLRWOI-NSHDSACASA-N 2 0 226.368 1.053 20 30 BDEDRP C=CCNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000261749476 534844602 /nfs/dbraw/zinc/84/46/02/534844602.db2.gz JPBUZNIAAIAAII-UHFFFAOYSA-N 2 0 238.379 1.341 20 30 BDEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCC(C)C ZINC000491814215 526803793 /nfs/dbraw/zinc/80/37/93/526803793.db2.gz RHZKVBCGPSIMSA-UHFFFAOYSA-N 2 0 238.379 1.102 20 30 BDEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262397687 535127915 /nfs/dbraw/zinc/12/79/15/535127915.db2.gz NEOLESDFQXGTOQ-NSHDSACASA-N 2 0 238.379 1.031 20 30 BDEDRP CC(C)[N@@H+]1CCC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676686 535168920 /nfs/dbraw/zinc/16/89/20/535168920.db2.gz UFUVNFJDMQQLHO-VXGBXAGGSA-N 2 0 238.379 1.044 20 30 BDEDRP CN1CC[NH+]=C1NCc1cccc(C[NH+](C)C)c1 ZINC000262675331 536027911 /nfs/dbraw/zinc/02/79/11/536027911.db2.gz SXOBLLALAVPYDS-UHFFFAOYSA-N 2 0 246.358 1.139 20 30 BDEDRP C[NH+](C)C1(CNC(=[NH2+])NC2CC2)CCCCC1 ZINC000261687748 536111505 /nfs/dbraw/zinc/11/15/05/536111505.db2.gz AVJBXMRHOYNQLO-UHFFFAOYSA-N 2 0 238.379 1.318 20 30 BDEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@H+](C)C1CC1 ZINC000104193009 583163269 /nfs/dbraw/zinc/16/32/69/583163269.db2.gz LSBOUCKOIPIBJO-NSHDSACASA-N 2 0 238.379 1.270 20 30 BDEDRP C=C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891942725 582741592 /nfs/dbraw/zinc/74/15/92/582741592.db2.gz LIDXFOVJZDZYLL-UHFFFAOYSA-N 2 0 208.349 1.980 20 30 BDEDRP CC[NH+](CC)CCNC(=[NH2+])NCCC(C)C ZINC000104152097 583106001 /nfs/dbraw/zinc/10/60/01/583106001.db2.gz CNHCGDWZCONNPI-UHFFFAOYSA-N 2 0 228.384 1.279 20 30 BDEDRP C=CCC1([NH2+]Cc2cnc[nH]2)CCOCC1 ZINC000895258383 583634140 /nfs/dbraw/zinc/63/41/40/583634140.db2.gz DMJUXCABRBVSDD-UHFFFAOYSA-N 2 0 221.304 1.625 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385669 584578053 /nfs/dbraw/zinc/57/80/53/584578053.db2.gz ABMGHWWZGBCGIO-XQQFMLRXSA-N 2 0 238.375 1.698 20 30 BDEDRP C=CCC[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386303 584578598 /nfs/dbraw/zinc/57/85/98/584578598.db2.gz FKYZVXUMPKGUDH-QWHCGFSZSA-N 2 0 240.391 1.681 20 30 BDEDRP C=CCC[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386304 584578713 /nfs/dbraw/zinc/57/87/13/584578713.db2.gz FKYZVXUMPKGUDH-STQMWFEESA-N 2 0 240.391 1.681 20 30 BDEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CC2 ZINC000902485470 584625445 /nfs/dbraw/zinc/62/54/45/584625445.db2.gz KVKNXMGHWTVDNO-WHOFXGATSA-N 2 0 241.338 1.872 20 30 BDEDRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(C#N)cc1 ZINC000902488705 584627748 /nfs/dbraw/zinc/62/77/48/584627748.db2.gz MQCUTQGYCNTTDO-JKOKRWQUSA-N 2 0 229.327 1.946 20 30 BDEDRP N#C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000903563430 584782305 /nfs/dbraw/zinc/78/23/05/584782305.db2.gz CLVUJRJKTSOTJT-CHWSQXEVSA-N 2 0 221.348 1.612 20 30 BDEDRP C=CCCC[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903850914 584808363 /nfs/dbraw/zinc/80/83/63/584808363.db2.gz ZSIHRIRYEUMLIQ-ZDUSSCGKSA-N 2 0 238.375 1.796 20 30 BDEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383659 584877351 /nfs/dbraw/zinc/87/73/51/584877351.db2.gz BNZJJWIEEFXSCS-GASCZTMLSA-N 2 0 243.354 1.770 20 30 BDEDRP C#CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000764241172 585462663 /nfs/dbraw/zinc/46/26/63/585462663.db2.gz NXKSTHISCUPDIE-ZDUSSCGKSA-N 2 0 208.349 1.816 20 30 BDEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000817961602 586852829 /nfs/dbraw/zinc/85/28/29/586852829.db2.gz AKBAKZGHADSFMD-QWHCGFSZSA-N 2 0 246.354 1.944 20 30 BDEDRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OCC#N)cc1 ZINC000817963635 586854277 /nfs/dbraw/zinc/85/42/77/586854277.db2.gz WRACOCUEECHTFC-NWDGAFQWSA-N 2 0 247.342 1.834 20 30 BDEDRP C#C[C@H](CC)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000825878410 587343392 /nfs/dbraw/zinc/34/33/92/587343392.db2.gz MVULZNGFNGUWGO-GFCCVEGCSA-N 2 0 240.310 1.769 20 30 BDEDRP C=CCNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000848982304 588424048 /nfs/dbraw/zinc/42/40/48/588424048.db2.gz CEJVODKEKGBNII-GFCCVEGCSA-N 2 0 238.379 1.551 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000848986584 588425928 /nfs/dbraw/zinc/42/59/28/588425928.db2.gz JKUFUDYBAYTYOE-LLVKDONJSA-N 2 0 224.352 1.161 20 30 BDEDRP C[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000848987732 588425966 /nfs/dbraw/zinc/42/59/66/588425966.db2.gz WDVODMMUGUBKFT-LLVKDONJSA-N 2 0 238.379 1.046 20 30 BDEDRP C[NH+]=C(NC[C@@H](C)[NH+]1CCCCC1)NC1CC1 ZINC000848995526 588428570 /nfs/dbraw/zinc/42/85/70/588428570.db2.gz OSEYQIXEVLFPQN-LLVKDONJSA-N 2 0 238.379 1.188 20 30 BDEDRP C[C@@H]1C[NH+]=C(NCCCCC[NH+]2CCCC2)N1 ZINC000849033560 588443934 /nfs/dbraw/zinc/44/39/34/588443934.db2.gz QGAFTYLWHKTKLH-GFCCVEGCSA-N 2 0 238.379 1.190 20 30 BDEDRP C=CC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000121179781 589512289 /nfs/dbraw/zinc/51/22/89/589512289.db2.gz HIYAITMEESNWDN-UHFFFAOYSA-N 2 0 228.299 1.885 20 30 BDEDRP C[NH+](C)C1(C)CCC(=[NH+]n2cnnc2)CC1 ZINC000872324377 589912495 /nfs/dbraw/zinc/91/24/95/589912495.db2.gz QGEUDFGXFMCUEQ-UHFFFAOYSA-N 2 0 221.308 1.377 20 30 BDEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC[NH3+] ZINC000876854502 590249892 /nfs/dbraw/zinc/24/98/92/590249892.db2.gz HYDRJEVUKQNFPU-VHSXEESVSA-N 2 0 247.770 1.090 20 30 BDEDRP C[C@@H]1C[N@H+](CCCC#N)CCN1c1cc[nH+]cc1 ZINC000880259413 590979875 /nfs/dbraw/zinc/97/98/75/590979875.db2.gz SDJJOMQJPVOTEH-CYBMUJFWSA-N 2 0 244.342 1.896 20 30 BDEDRP CC[C@@H](CNC(NC1CC1)=[NH+]C)[NH+]1CCCC1 ZINC000103338390 592579130 /nfs/dbraw/zinc/57/91/30/592579130.db2.gz KZERQFMVOMJEHH-LBPRGKRZSA-N 2 0 238.379 1.188 20 30 BDEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000104179710 592603244 /nfs/dbraw/zinc/60/32/44/592603244.db2.gz XHCBDMSEBMLKLM-LBPRGKRZSA-N 2 0 238.379 1.199 20 30 BDEDRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1C#N ZINC000925837350 635494116 /nfs/dbraw/zinc/49/41/16/635494116.db2.gz GDHOUIFLJOLYMG-JSGCOSHPSA-N 2 0 243.354 1.954 20 30 BDEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000231801160 635782763 /nfs/dbraw/zinc/78/27/63/635782763.db2.gz SUMKWDBXKFRRRN-NWDGAFQWSA-N 2 0 212.337 1.296 20 30 BDEDRP CC(C)C[C@H](CNC(=[NH2+])NC1CC1)[NH+](C)C ZINC000066245050 632859268 /nfs/dbraw/zinc/85/92/68/632859268.db2.gz ZVBZPJFELUEDJL-LLVKDONJSA-N 2 0 226.368 1.029 20 30 BDEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000911764501 639791253 /nfs/dbraw/zinc/79/12/53/639791253.db2.gz UWUAXINFLOVNFF-LBPRGKRZSA-N 2 0 241.379 1.174 20 30 BDEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000911799612 639821215 /nfs/dbraw/zinc/82/12/15/639821215.db2.gz IZOXIRMZYWMJLM-LLVKDONJSA-N 2 0 239.363 1.058 20 30 BDEDRP C[N@@H+]1CC[C@@H]2CN(C[C@@H](C#N)CCC#N)C[C@@H]2C1 ZINC000931430222 640199631 /nfs/dbraw/zinc/19/96/31/640199631.db2.gz MVHVESIJHHBKGX-MCIONIFRSA-N 2 0 246.358 1.313 20 30 BDEDRP C=CCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000231798776 641207059 /nfs/dbraw/zinc/20/70/59/641207059.db2.gz HTLHAFJZVRXRJJ-LBPRGKRZSA-N 2 0 212.337 1.311 20 30 BDEDRP C=C(Cl)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730115 642897918 /nfs/dbraw/zinc/89/79/18/642897918.db2.gz VULPWVCBAHNFFO-UHFFFAOYSA-N 2 0 202.729 1.800 20 30 BDEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923280583 644314384 /nfs/dbraw/zinc/31/43/84/644314384.db2.gz BURLHOFDNDEWOL-CHWSQXEVSA-N 2 0 226.364 1.245 20 30 BDEDRP C=CCC[C@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000923329125 644346669 /nfs/dbraw/zinc/34/66/69/644346669.db2.gz YCYLFUKXIAJUCR-AWEZNQCLSA-N 2 0 240.391 1.635 20 30 BDEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303873277 644849599 /nfs/dbraw/zinc/84/95/99/644849599.db2.gz CKSKQENPHWQLDD-GFCCVEGCSA-N 2 0 238.379 1.129 20 30 BDEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCCC1 ZINC000303871607 644850661 /nfs/dbraw/zinc/85/06/61/644850661.db2.gz FYPNSUXJTBFHKI-LBPRGKRZSA-N 2 0 240.395 1.198 20 30 BDEDRP CC[C@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000303868972 644851245 /nfs/dbraw/zinc/85/12/45/644851245.db2.gz ARZKPMZZIBFOEK-LLVKDONJSA-N 2 0 226.368 1.174 20 30 BDEDRP CC(C)CNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303889883 644853824 /nfs/dbraw/zinc/85/38/24/644853824.db2.gz MGLUWZKGWXGEPA-LBPRGKRZSA-N 2 0 240.395 1.421 20 30 BDEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCC1)C1CC1 ZINC000303886419 644854204 /nfs/dbraw/zinc/85/42/04/644854204.db2.gz NSQSUHYTHLQXCJ-GFCCVEGCSA-N 2 0 238.379 1.127 20 30 BDEDRP CC[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCC1 ZINC000303907139 644855689 /nfs/dbraw/zinc/85/56/89/644855689.db2.gz WNHVXENNPRYEJB-LBPRGKRZSA-N 2 0 240.395 1.340 20 30 BDEDRP C[NH+](C)[C@H](CNC(=[NH2+])NC(C)(C)C)C1CC1 ZINC000303895177 644856400 /nfs/dbraw/zinc/85/64/00/644856400.db2.gz TUUTVORFJYOHEK-SNVBAGLBSA-N 2 0 226.368 1.029 20 30 BDEDRP CCCCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000303980699 644862699 /nfs/dbraw/zinc/86/26/99/644862699.db2.gz OIQVFDVCMCNXKS-UHFFFAOYSA-N 2 0 228.384 1.421 20 30 BDEDRP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847005260 645413542 /nfs/dbraw/zinc/41/35/42/645413542.db2.gz RDTQZZZAFDINMD-KBPBESRZSA-N 2 0 238.375 1.034 20 30 BDEDRP C#CC1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852205066 645471981 /nfs/dbraw/zinc/47/19/81/645471981.db2.gz HUVQCTOPYOFAEU-CQSZACIVSA-N 2 0 238.375 1.033 20 30 BDEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925702810 646427324 /nfs/dbraw/zinc/42/73/24/646427324.db2.gz DYPAKUVODNCQNH-RVMXOQNASA-N 2 0 236.359 1.437 20 30 BDEDRP C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925771639 646473756 /nfs/dbraw/zinc/47/37/56/646473756.db2.gz NJGWZVLMCNFHAJ-REWJHTLYSA-N 2 0 238.375 1.291 20 30 BDEDRP CCC#C[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440417 711714190 /nfs/dbraw/zinc/71/41/90/711714190.db2.gz UWLKIMHYHUEFNN-HZSPNIEDSA-N 2 0 220.360 1.672 20 30 BDEDRP CCNC(NC[C@H]1CCCC[N@H+](C)C1)=[NH+]CC ZINC000700812879 712006301 /nfs/dbraw/zinc/00/63/01/712006301.db2.gz KFXUDKFTFSLDKZ-GFCCVEGCSA-N 2 0 240.395 1.293 20 30 BDEDRP C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC000703582401 712079917 /nfs/dbraw/zinc/07/99/17/712079917.db2.gz HLLIDYACLAYCEA-LSDHHAIUSA-N 2 0 241.338 1.600 20 30 BDEDRP C=CCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874205 712873403 /nfs/dbraw/zinc/87/34/03/712873403.db2.gz WZSWRBNZSRNHQX-DTWKUNHWSA-N 2 0 222.254 1.632 20 30 BDEDRP C=CCO[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345160376 957161235 /nfs/dbraw/zinc/16/12/35/957161235.db2.gz UYDASNOVJFUZPI-UONOGXRCSA-N 2 0 238.375 1.653 20 30 BDEDRP