smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C[NH2+]1 ZINC000602554714 349596088 /nfs/dbraw/zinc/59/60/88/349596088.db2.gz OEKSKGXCTZAHRB-OUAUKWLOSA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C[NH2+]1 ZINC000602554712 349596117 /nfs/dbraw/zinc/59/61/17/349596117.db2.gz OEKSKGXCTZAHRB-GMTAPVOTSA-N 2 0 238.335 0.264 20 30 BCEDRP C=CCCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000070593307 343333783 /nfs/dbraw/zinc/33/37/83/343333783.db2.gz LMWWWKSRONCKPA-UHFFFAOYSA-N 2 0 211.353 0.790 20 30 BCEDRP NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712520 346994282 /nfs/dbraw/zinc/99/42/82/346994282.db2.gz VXYPBNMGXYOYPD-UHFFFAOYSA-N 2 0 233.319 0.571 20 30 BCEDRP N#CCCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000601331894 347223216 /nfs/dbraw/zinc/22/32/16/347223216.db2.gz FEQWWNSUGABRDU-UHFFFAOYSA-N 2 0 236.363 0.517 20 30 BCEDRP C#C[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000187047220 347248140 /nfs/dbraw/zinc/24/81/40/347248140.db2.gz IDZXVIBLFATDAW-WDEREUQCSA-N 2 0 222.336 0.397 20 30 BCEDRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000591677848 347685422 /nfs/dbraw/zinc/68/54/22/347685422.db2.gz HANMJQAUOZRZCW-JTQLQIEISA-N 2 0 238.335 0.218 20 30 BCEDRP CN(CCC[NH3+])C(=O)[C@H]([NH3+])CCCCC#N ZINC000594427017 348043919 /nfs/dbraw/zinc/04/39/19/348043919.db2.gz SEFTXICIPXWRBB-SNVBAGLBSA-N 2 0 226.324 0.205 20 30 BCEDRP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594424394 348051123 /nfs/dbraw/zinc/05/11/23/348051123.db2.gz CQSHRFMOIIDXIJ-SECBINFHSA-N 2 0 226.324 0.251 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594425623 348052177 /nfs/dbraw/zinc/05/21/77/348052177.db2.gz LPFVYJVULBIMNH-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594450225 348057507 /nfs/dbraw/zinc/05/75/07/348057507.db2.gz VBBZRRRIFUJJCT-GARJFASQSA-N 2 0 238.335 0.346 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595952539 348404098 /nfs/dbraw/zinc/40/40/98/348404098.db2.gz DVPWDIMWHBRTHJ-JTQLQIEISA-N 2 0 238.335 0.395 20 30 BCEDRP CC(C)(C#N)C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000598586687 348996075 /nfs/dbraw/zinc/99/60/75/348996075.db2.gz WPBADMCSOINVKT-SRVKXCTJSA-N 2 0 237.347 0.438 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638101423 351979713 /nfs/dbraw/zinc/97/97/13/351979713.db2.gz PRTLUXCQPPCZRL-GFCCVEGCSA-N 2 0 249.358 0.801 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000638100930 351981310 /nfs/dbraw/zinc/98/13/10/351981310.db2.gz ODMUZWCORHCCCZ-LLVKDONJSA-N 2 0 239.363 0.751 20 30 BCEDRP CC#CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129343469 353313773 /nfs/dbraw/zinc/31/37/73/353313773.db2.gz JLJVQEJBVZRUHH-ZDUSSCGKSA-N 2 0 222.332 0.664 20 30 BCEDRP C=CCNC(=O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000133299117 353407675 /nfs/dbraw/zinc/40/76/75/353407675.db2.gz UCGNPDIMQXXWEU-NSHDSACASA-N 2 0 227.352 0.594 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309972 192211226 /nfs/dbraw/zinc/21/12/26/192211226.db2.gz PFGZGZHMRMANRS-LOWDOPEQSA-N 2 0 249.358 0.442 20 30 BCEDRP N#Cc1ccc(C[NH2+]CCOCCC[NH3+])o1 ZINC000600771738 364031079 /nfs/dbraw/zinc/03/10/79/364031079.db2.gz ATNJLGSWEGMBJA-UHFFFAOYSA-N 2 0 223.276 0.606 20 30 BCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCC#N ZINC000579583303 366890336 /nfs/dbraw/zinc/89/03/36/366890336.db2.gz NDJHDIBGDFJNRD-NSHDSACASA-N 2 0 210.325 0.126 20 30 BCEDRP C=CCNC(=O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180033490 541505902 /nfs/dbraw/zinc/50/59/02/541505902.db2.gz ZASWJWORFLACRV-WDEREUQCSA-N 2 0 225.336 0.361 20 30 BCEDRP C=CCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000066245407 368642195 /nfs/dbraw/zinc/64/21/95/368642195.db2.gz BDRSALCERFCQOW-UHFFFAOYSA-N 2 0 224.352 0.953 20 30 BCEDRP C#CCCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261955250 533045118 /nfs/dbraw/zinc/04/51/18/533045118.db2.gz IOPJKVJVSNHNLP-WCQYABFASA-N 2 0 248.374 0.657 20 30 BCEDRP C[C@H]1C[N@H+](CCCNCCC#N)CCCO1 ZINC000517926297 384574354 /nfs/dbraw/zinc/57/43/54/384574354.db2.gz NQSOFHLOWYEWJB-LBPRGKRZSA-N 2 0 225.336 0.991 20 30 BCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594440471 385601839 /nfs/dbraw/zinc/60/18/39/385601839.db2.gz CWCKSYYDABMLDX-MNOVXSKESA-N 2 0 240.351 0.464 20 30 BCEDRP C[NH+](C)CCOCC[NH2+]C[C@@H](C#N)CCC#N ZINC000515234360 387352055 /nfs/dbraw/zinc/35/20/55/387352055.db2.gz ILDKSWOWAAGZJO-GFCCVEGCSA-N 2 0 238.335 0.598 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000424055792 387471539 /nfs/dbraw/zinc/47/15/39/387471539.db2.gz FLQQPTOGMOQVLJ-MNOVXSKESA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@@](C[NH3+])(NC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424086039 387486685 /nfs/dbraw/zinc/48/66/85/387486685.db2.gz ZWDQNCYJGKFWHN-PWSUYJOCSA-N 2 0 238.335 0.251 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430698147 387640073 /nfs/dbraw/zinc/64/00/73/387640073.db2.gz CBYFDVTWUUSYAX-GFCCVEGCSA-N 2 0 239.363 0.736 20 30 BCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424152129 387799303 /nfs/dbraw/zinc/79/93/03/387799303.db2.gz IKQYJYQOQMCXGH-UWVGGRQHSA-N 2 0 226.324 0.074 20 30 BCEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424156213 387821547 /nfs/dbraw/zinc/82/15/47/387821547.db2.gz OCAINOLQQPYEIU-NSHDSACASA-N 2 0 238.335 0.218 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423014361 387835678 /nfs/dbraw/zinc/83/56/78/387835678.db2.gz ICYYMQSFTJOKMV-SDDRHHMPSA-N 2 0 212.337 0.901 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193631799 387859222 /nfs/dbraw/zinc/85/92/22/387859222.db2.gz HWGZLOJENOTKDB-XQQFMLRXSA-N 2 0 224.348 0.807 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000424154672 387815351 /nfs/dbraw/zinc/81/53/51/387815351.db2.gz JZCHTRNBAQXGGD-VWYCJHECSA-N 2 0 238.335 0.394 20 30 BCEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424189663 387912951 /nfs/dbraw/zinc/91/29/51/387912951.db2.gz LCNYLZNSSSVAEM-SNVBAGLBSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424219073 387936119 /nfs/dbraw/zinc/93/61/19/387936119.db2.gz ZEFBWZLOEFBQTP-GMTAPVOTSA-N 2 0 238.335 0.394 20 30 BCEDRP CN(C)C(=[NH+]CC1CC[NH+](C)CC1)N(C)C ZINC000104181682 134159371 /nfs/dbraw/zinc/15/93/71/134159371.db2.gz JOJUOKMLQVEPGV-UHFFFAOYSA-N 2 0 226.368 0.807 20 30 BCEDRP C=CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356953946 134181183 /nfs/dbraw/zinc/18/11/83/134181183.db2.gz BSHMMSJDPXJWJX-UHFFFAOYSA-N 2 0 239.363 0.562 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000262754817 135121661 /nfs/dbraw/zinc/12/16/61/135121661.db2.gz DBZAJILCJWWHTJ-UHFFFAOYSA-N 2 0 224.352 0.951 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000263193267 135125072 /nfs/dbraw/zinc/12/50/72/135125072.db2.gz ZDPIMMOBDWQDMZ-UHFFFAOYSA-N 2 0 222.336 0.729 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000264067175 135130977 /nfs/dbraw/zinc/13/09/77/135130977.db2.gz BRYWXEUAQZYYHT-SNVBAGLBSA-N 2 0 210.325 0.419 20 30 BCEDRP CNC(=[NH2+])NC[C@@H](C)N1CCc2ccccc2C1 ZINC000264082247 135131603 /nfs/dbraw/zinc/13/16/03/135131603.db2.gz HRQBXISYRHEVHE-LLVKDONJSA-N 2 0 246.358 0.967 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1 ZINC000261531941 135161684 /nfs/dbraw/zinc/16/16/84/135161684.db2.gz ILMBLVQBNNXDPT-VIFPVBQESA-N 2 0 212.341 0.512 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000261534326 135166747 /nfs/dbraw/zinc/16/67/47/135166747.db2.gz MALDPCGPYMGPGY-VHSXEESVSA-N 2 0 210.325 0.266 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559706 135200205 /nfs/dbraw/zinc/20/02/05/135200205.db2.gz TZIUQACDXBXONG-AAEUAGOBSA-N 2 0 237.347 0.363 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[N@H+](C)C2CCCC2)N1 ZINC000261581397 135222197 /nfs/dbraw/zinc/22/21/97/135222197.db2.gz NOFIEKSRNFRTDY-SNVBAGLBSA-N 2 0 224.352 0.798 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCC2CC[NH+](C)CC2)N1 ZINC000261582338 135223073 /nfs/dbraw/zinc/22/30/73/135223073.db2.gz OFEQPGYGAKGPBS-SNVBAGLBSA-N 2 0 224.352 0.656 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122353385 135227518 /nfs/dbraw/zinc/22/75/18/135227518.db2.gz VFVASVZQLOTKPM-DCAQKATOSA-N 2 0 225.336 0.346 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[NH+]2CCCCCC2)N1 ZINC000261595456 135235122 /nfs/dbraw/zinc/23/51/22/135235122.db2.gz YDYLCSHOCYJKIJ-NSHDSACASA-N 2 0 224.352 0.800 20 30 BCEDRP CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261653238 135242788 /nfs/dbraw/zinc/24/27/88/135242788.db2.gz AFHFAXXWHGFNQG-PSASIEDQSA-N 2 0 210.325 0.264 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261723779 135248187 /nfs/dbraw/zinc/24/81/87/135248187.db2.gz GFGWYWFSBPROCX-WDEREUQCSA-N 2 0 240.351 0.021 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262646799 135311064 /nfs/dbraw/zinc/31/10/64/135311064.db2.gz JJYXLNXFMYDCHL-MNOVXSKESA-N 2 0 224.352 0.656 20 30 BCEDRP C[NH+]=C(NC1CC1)N[C@H]1CCN(CCOC)C1 ZINC000262737615 135316520 /nfs/dbraw/zinc/31/65/20/135316520.db2.gz CXNVYFVVPHLSIZ-NSHDSACASA-N 2 0 240.351 0.035 20 30 BCEDRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)N1CCC1 ZINC000263037233 135328607 /nfs/dbraw/zinc/32/86/07/135328607.db2.gz BXFFRUUWAGKJIP-UHFFFAOYSA-N 2 0 229.287 0.855 20 30 BCEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N1CCC1 ZINC000263043741 135329163 /nfs/dbraw/zinc/32/91/63/135329163.db2.gz CRLAQMSVPHFYCV-UHFFFAOYSA-N 2 0 236.363 0.881 20 30 BCEDRP CC#CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363466970 398120075 /nfs/dbraw/zinc/12/00/75/398120075.db2.gz IJHIBLQRKGBSIO-OAHLLOKOSA-N 2 0 249.402 0.969 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662821605 409935125 /nfs/dbraw/zinc/93/51/25/409935125.db2.gz NHWSOBSFDFPVPU-NTZNESFSSA-N 2 0 239.363 0.927 20 30 BCEDRP C=CCCn1cc(CN2CC[C@@H](C[NH3+])C2)nn1 ZINC000655937252 411159377 /nfs/dbraw/zinc/15/93/77/411159377.db2.gz XUSBBWMHVAHXNP-NSHDSACASA-N 2 0 235.335 0.635 20 30 BCEDRP C=CC[C@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000662387819 412139497 /nfs/dbraw/zinc/13/94/97/412139497.db2.gz LCFKIPBOXPYGOR-CYBMUJFWSA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662393158 412143387 /nfs/dbraw/zinc/14/33/87/412143387.db2.gz BZMXXMLYOLSJKS-PWSUYJOCSA-N 2 0 223.320 0.244 20 30 BCEDRP C=CC[C@@]1(C(=O)NCCC[NH3+])CCC[NH2+]1 ZINC000662394088 412144298 /nfs/dbraw/zinc/14/42/98/412144298.db2.gz OWZVDLSGWVRFRZ-NSHDSACASA-N 2 0 211.309 0.150 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662417710 412160492 /nfs/dbraw/zinc/16/04/92/412160492.db2.gz JJBDJOIHWLNZLL-WCQYABFASA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000662420139 412161503 /nfs/dbraw/zinc/16/15/03/412161503.db2.gz CUNYGODYJZDGEV-LBPRGKRZSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)CCC[NH2+]C)CCC[NH2+]1 ZINC000662818000 412309595 /nfs/dbraw/zinc/30/95/95/412309595.db2.gz ZOWBDPLHKXGUHR-CYBMUJFWSA-N 2 0 239.363 0.753 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662874902 412331988 /nfs/dbraw/zinc/33/19/88/412331988.db2.gz BYFLJJFSAQINPY-UXUKBGGZSA-N 2 0 249.358 0.634 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000662767842 412295851 /nfs/dbraw/zinc/29/58/51/412295851.db2.gz ZQQYWAGFLUCTIA-AWEZNQCLSA-N 2 0 249.358 0.721 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000662782412 412300675 /nfs/dbraw/zinc/30/06/75/412300675.db2.gz ZQNKMPYTLAGJMV-GFCCVEGCSA-N 2 0 225.336 0.363 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000328243040 324305538 /nfs/dbraw/zinc/30/55/38/324305538.db2.gz HQRXVGCFNCXSRT-UHFFFAOYSA-N 2 0 224.352 0.854 20 30 BCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[NH+](C)C ZINC000137044419 325476658 /nfs/dbraw/zinc/47/66/58/325476658.db2.gz LPFRVUFLBYMLFC-UHFFFAOYSA-N 2 0 240.351 0.242 20 30 BCEDRP C=CCCOCCNC[C@H](O)C[NH+]1CCCC1 ZINC000231819953 487477244 /nfs/dbraw/zinc/47/72/44/487477244.db2.gz XZHFVSTYUMQKNE-ZDUSSCGKSA-N 2 0 242.363 0.625 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000066244975 534519838 /nfs/dbraw/zinc/51/98/38/534519838.db2.gz BKDLORPQHWCVHF-JTQLQIEISA-N 2 0 210.325 0.561 20 30 BCEDRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676448 534949157 /nfs/dbraw/zinc/94/91/57/534949157.db2.gz UBIDUZKDUJTUPI-WDEREUQCSA-N 2 0 224.352 0.656 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000261531923 535542269 /nfs/dbraw/zinc/54/22/69/535542269.db2.gz IKINYZBCOZMAIR-VHSXEESVSA-N 2 0 210.325 0.408 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066219 535548881 /nfs/dbraw/zinc/54/88/81/535548881.db2.gz OEKPPOGDSNGSLO-MNOVXSKESA-N 2 0 236.363 0.928 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286404 535556142 /nfs/dbraw/zinc/55/61/42/535556142.db2.gz MKELOXOSNAOAFO-LLVKDONJSA-N 2 0 226.368 0.950 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000262524935 535596515 /nfs/dbraw/zinc/59/65/15/535596515.db2.gz KLBYYAMUJMDQJQ-NSHDSACASA-N 2 0 224.352 0.928 20 30 BCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCC2)CCC1 ZINC000263202968 536111299 /nfs/dbraw/zinc/11/12/99/536111299.db2.gz XQSUSTYYGLQEAD-UHFFFAOYSA-N 2 0 210.325 0.491 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000855641867 588842940 /nfs/dbraw/zinc/84/29/40/588842940.db2.gz QCTAATCWXAPTRC-UHFFFAOYSA-N 2 0 225.336 0.124 20 30 BCEDRP C[NH+]1CCC(C[NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895197097 583623171 /nfs/dbraw/zinc/62/31/71/583623171.db2.gz PDINTSBQEHFMBY-NSHDSACASA-N 2 0 241.335 0.298 20 30 BCEDRP C#CCNC(=O)CC[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899911833 584253508 /nfs/dbraw/zinc/25/35/08/584253508.db2.gz ZOKUOSKXTRINFT-UHFFFAOYSA-N 2 0 249.358 0.296 20 30 BCEDRP C=CC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747244 584795076 /nfs/dbraw/zinc/79/50/76/584795076.db2.gz QKZZBXTUHCQFDV-NWDGAFQWSA-N 2 0 210.321 0.873 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000877105785 584890073 /nfs/dbraw/zinc/89/00/73/584890073.db2.gz NBCLDGOSPKENBO-ZYHUDNBSSA-N 2 0 225.336 0.490 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000764193574 585461294 /nfs/dbraw/zinc/46/12/94/585461294.db2.gz VULVFUIUCZNSDS-UHFFFAOYSA-N 2 0 239.363 0.657 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCCCC1 ZINC000764287718 585463365 /nfs/dbraw/zinc/46/33/65/585463365.db2.gz LPNBDCVHXFGESQ-UHFFFAOYSA-N 2 0 239.363 0.706 20 30 BCEDRP C[C@H]1CNC(NN=C2CC[N@@H+]3CCC[C@@H]23)=[NH+]1 ZINC000779792205 585763757 /nfs/dbraw/zinc/76/37/57/585763757.db2.gz QAFVCJHFEOQNBY-WPRPVWTQSA-N 2 0 221.308 0.148 20 30 BCEDRP C#CC(C)(C)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000794579276 586044959 /nfs/dbraw/zinc/04/49/59/586044959.db2.gz YMFAKBYGNIVVPF-LBPRGKRZSA-N 2 0 224.348 0.787 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817676013 586817706 /nfs/dbraw/zinc/81/77/06/586817706.db2.gz BKWRHMQGANECCK-GFCCVEGCSA-N 2 0 239.363 0.657 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822625051 587178067 /nfs/dbraw/zinc/17/80/67/587178067.db2.gz IWKVZZIXJLDQIE-LBPRGKRZSA-N 2 0 239.363 0.561 20 30 BCEDRP C[C@H]1CC(N=NC2=NCCN2)C[N@@H+]1C1CC1 ZINC000841661322 587970361 /nfs/dbraw/zinc/97/03/61/587970361.db2.gz NYIFTOJQCMFHOK-QMMMGPOBSA-N 2 0 221.308 0.148 20 30 BCEDRP C[NH+]=C(NC[C@H](C)[NH+]1CCCC1)NC1CC1 ZINC000848986608 588425802 /nfs/dbraw/zinc/42/58/02/588425802.db2.gz LIYGTOGGSNCSBW-JTQLQIEISA-N 2 0 224.352 0.798 20 30 BCEDRP CCNC(NCCNc1cc[nH+]cc1)=[NH+]CC ZINC000848995415 588428500 /nfs/dbraw/zinc/42/85/00/588428500.db2.gz TXPDJIBGDCRXSO-UHFFFAOYSA-N 2 0 235.335 0.490 20 30 BCEDRP CCNC(NCC[N@@H+]1CC[C@H](C)C1)=[NH+]CC ZINC000849004167 588431734 /nfs/dbraw/zinc/43/17/34/588431734.db2.gz DGIWVUPCCDFVAX-NSHDSACASA-N 2 0 226.368 0.903 20 30 BCEDRP C[C@H]1CC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004694 588431983 /nfs/dbraw/zinc/43/19/83/588431983.db2.gz WHGJKEYAAXKCDK-NSHDSACASA-N 2 0 226.368 0.807 20 30 BCEDRP C[NH+]=C(NCC[N@@H+]1CC[C@@H](C)C1)NC1CC1 ZINC000849005043 588432159 /nfs/dbraw/zinc/43/21/59/588432159.db2.gz SENCNBCEFLBAKC-SNVBAGLBSA-N 2 0 224.352 0.656 20 30 BCEDRP CNC(NCC1CC[NH+](C2CC2)CC1)=[NH+]C ZINC000849022844 588439380 /nfs/dbraw/zinc/43/93/80/588439380.db2.gz CJDMYMVETDYLKG-UHFFFAOYSA-N 2 0 224.352 0.656 20 30 BCEDRP CNC(NCC1(SC)CC[NH+](C)CC1)=[NH+]C ZINC000849029445 588441793 /nfs/dbraw/zinc/44/17/93/588441793.db2.gz NUJBOEMCYQSPJV-UHFFFAOYSA-N 2 0 244.408 0.609 20 30 BCEDRP CC(C)C[N@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000849047299 588450720 /nfs/dbraw/zinc/45/07/20/588450720.db2.gz UKZQDXMFQBAULX-LLVKDONJSA-N 2 0 226.368 0.902 20 30 BCEDRP CC[NH2+]CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852793047 588703069 /nfs/dbraw/zinc/70/30/69/588703069.db2.gz NSPFFGNHINULRG-UHFFFAOYSA-N 2 0 237.347 0.105 20 30 BCEDRP C[NH+](C)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855535 588708636 /nfs/dbraw/zinc/70/86/36/588708636.db2.gz FFLCGMJPIZSAMD-UHFFFAOYSA-N 2 0 237.347 0.057 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)CC[NH2+]C)CCC[NH2+]1 ZINC000852874627 588709256 /nfs/dbraw/zinc/70/92/56/588709256.db2.gz SMNMNGHCLQJMJB-GFCCVEGCSA-N 2 0 225.336 0.363 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852876565 588710543 /nfs/dbraw/zinc/71/05/43/588710543.db2.gz LQEZALAYUGILSA-DGCLKSJQSA-N 2 0 249.358 0.104 20 30 BCEDRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852892975 588711835 /nfs/dbraw/zinc/71/18/35/588711835.db2.gz KNLCTTLYTSGEDK-GHMZBOCLSA-N 2 0 237.347 0.231 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000876507722 590205097 /nfs/dbraw/zinc/20/50/97/590205097.db2.gz LXAQFWPAUKQSSB-JTQLQIEISA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000876516176 590206396 /nfs/dbraw/zinc/20/63/96/590206396.db2.gz MIKPKFCZNOHYTP-UDNWOFFPSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000876514653 590206479 /nfs/dbraw/zinc/20/64/79/590206479.db2.gz GOZFCSSFZPBLIK-BDAKNGLRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000876514656 590206711 /nfs/dbraw/zinc/20/67/11/590206711.db2.gz GOZFCSSFZPBLIK-RKDXNWHRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876529080 590209718 /nfs/dbraw/zinc/20/97/18/590209718.db2.gz DZMOKDMMUPTJDL-MWLCHTKSSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000876538305 590211844 /nfs/dbraw/zinc/21/18/44/590211844.db2.gz GSPXQZREUPSHJI-ZETCQYMHSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000876726247 590233396 /nfs/dbraw/zinc/23/33/96/590233396.db2.gz XDSMTQFUQBGIFA-SNVBAGLBSA-N 2 0 247.770 0.914 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000876835525 590246383 /nfs/dbraw/zinc/24/63/83/590246383.db2.gz XJTVHLSAOIVEOJ-UTLUCORTSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000876848495 590249531 /nfs/dbraw/zinc/24/95/31/590249531.db2.gz SMIAJOPUPHEOET-QMMMGPOBSA-N 2 0 219.716 0.134 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000876860665 590250466 /nfs/dbraw/zinc/25/04/66/590250466.db2.gz GWVAVGMGYASXJO-PRJMDXOYSA-N 2 0 219.716 0.308 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872429 590251798 /nfs/dbraw/zinc/25/17/98/590251798.db2.gz ZECPZAUARAVKJJ-BBBLOLIVSA-N 2 0 243.738 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000876913752 590256399 /nfs/dbraw/zinc/25/63/99/590256399.db2.gz KNYQQOVGRVLONP-UWVGGRQHSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000876960841 590261289 /nfs/dbraw/zinc/26/12/89/590261289.db2.gz ODCNAGGJLJVCOF-UWVGGRQHSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000876977697 590264023 /nfs/dbraw/zinc/26/40/23/590264023.db2.gz BEVCYGJDGMJZIX-HTQZYQBOSA-N 2 0 219.716 0.180 20 30 BCEDRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000877104200 590284068 /nfs/dbraw/zinc/28/40/68/590284068.db2.gz FBFMGBQXXHFVLJ-UWVGGRQHSA-N 2 0 226.324 0.203 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107731 590285627 /nfs/dbraw/zinc/28/56/27/590285627.db2.gz KSCFJGFMRAGURD-SFYZADRCSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109141 590286622 /nfs/dbraw/zinc/28/66/22/590286622.db2.gz AFFVXNYXTQZOOO-XHNCKOQMSA-N 2 0 231.727 0.323 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000877242686 590302568 /nfs/dbraw/zinc/30/25/68/590302568.db2.gz VWCGLDXCJCKTEO-NTZNESFSSA-N 2 0 237.347 0.538 20 30 BCEDRP C=CC[C@@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981916 590464901 /nfs/dbraw/zinc/46/49/01/590464901.db2.gz BZVRQDZZKPHXJX-AXFHLTTASA-N 2 0 224.304 0.255 20 30 BCEDRP C#CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593967 590823791 /nfs/dbraw/zinc/82/37/91/590823791.db2.gz SVCGCAJTUUVFQG-UHFFFAOYSA-N 2 0 235.375 0.722 20 30 BCEDRP C#CC[C@@H]1CC[N@@H+](C[C@H](O)CN(C)CC)C1 ZINC000886365671 592219480 /nfs/dbraw/zinc/21/94/80/592219480.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 2 0 224.348 0.644 20 30 BCEDRP C[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245315 635472661 /nfs/dbraw/zinc/47/26/61/635472661.db2.gz AUUMAQUYJNWJQE-SECBINFHSA-N 2 0 210.325 0.537 20 30 BCEDRP CNC(NCCC[NH2+]C(C)(C)C)=[NH+]C ZINC000308858610 631964912 /nfs/dbraw/zinc/96/49/12/631964912.db2.gz VZFOKXPQCVFZPP-UHFFFAOYSA-N 2 0 200.330 0.559 20 30 BCEDRP CCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000309521681 632467874 /nfs/dbraw/zinc/46/78/74/632467874.db2.gz UGNDMVXQAHGPOF-UHFFFAOYSA-N 2 0 207.281 0.418 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928445083 635949138 /nfs/dbraw/zinc/94/91/38/635949138.db2.gz WQCUSOCQQMNZBH-QWRGUYRKSA-N 2 0 225.336 0.313 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020025424 633806098 /nfs/dbraw/zinc/80/60/98/633806098.db2.gz OUMKBAVIHWMBIP-SRVKXCTJSA-N 2 0 237.347 0.503 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397269 635218840 /nfs/dbraw/zinc/21/88/40/635218840.db2.gz ONRANPUICFKAAN-QWHCGFSZSA-N 2 0 249.358 0.104 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797525 636880949 /nfs/dbraw/zinc/88/09/49/636880949.db2.gz YIXIUPZOENZGIU-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH2+]CC ZINC000911688546 639728066 /nfs/dbraw/zinc/72/80/66/639728066.db2.gz PYOLBVQOLLTPED-LLVKDONJSA-N 2 0 227.352 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673600 639734623 /nfs/dbraw/zinc/73/46/23/639734623.db2.gz MTLCTIBZOPAINF-MNOVXSKESA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787738 639806045 /nfs/dbraw/zinc/80/60/45/639806045.db2.gz LHXZMQFJFUKQLA-WDEREUQCSA-N 2 0 225.336 0.490 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000912454805 640082767 /nfs/dbraw/zinc/08/27/67/640082767.db2.gz NLEAVEBOTUULPF-UHFFFAOYSA-N 2 0 239.363 0.514 20 30 BCEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)C1CCC1 ZINC000913523389 640379469 /nfs/dbraw/zinc/37/94/69/640379469.db2.gz YKSRZATXEMUEOB-UHFFFAOYSA-N 2 0 237.347 0.152 20 30 BCEDRP CC[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 ZINC000170912875 640938296 /nfs/dbraw/zinc/93/82/96/640938296.db2.gz JYHXAHZVSOBBSH-SNVBAGLBSA-N 2 0 212.341 0.737 20 30 BCEDRP C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014954103 641211048 /nfs/dbraw/zinc/21/10/48/641211048.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021895506 642439751 /nfs/dbraw/zinc/43/97/51/642439751.db2.gz OUMKBAVIHWMBIP-GRYCIOLGSA-N 2 0 237.347 0.503 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@H+](C)C1CC1 ZINC000305797702 642696663 /nfs/dbraw/zinc/69/66/63/642696663.db2.gz BKEOSBCOVAOKSR-VIFPVBQESA-N 2 0 224.352 0.878 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967897143 642804695 /nfs/dbraw/zinc/80/46/95/642804695.db2.gz XLYFVHINFPCGFV-NEPJUHHUSA-N 2 0 237.347 0.457 20 30 BCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248622 642951121 /nfs/dbraw/zinc/95/11/21/642951121.db2.gz CGUAALGCDRLMSR-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251553 642951732 /nfs/dbraw/zinc/95/17/32/642951732.db2.gz VSQCMSQMPHZFKE-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969799343 643219698 /nfs/dbraw/zinc/21/96/98/643219698.db2.gz FJALYODQLPQGPJ-CYBMUJFWSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591176 643223390 /nfs/dbraw/zinc/22/33/90/643223390.db2.gz GMSNGWUBBBMTLZ-ZDEQEGDKSA-N 2 0 249.358 0.054 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969989267 643262047 /nfs/dbraw/zinc/26/20/47/643262047.db2.gz KLBARDGRUSLNQU-NEPJUHHUSA-N 2 0 237.347 0.150 20 30 BCEDRP C=CCNC(N[C@H]1CCN(C2CC2)C1)=[NH+]CC ZINC000083101055 643412587 /nfs/dbraw/zinc/41/25/87/643412587.db2.gz ODJAJEWEAORPSE-NSHDSACASA-N 2 0 236.363 0.964 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922157118 643876934 /nfs/dbraw/zinc/87/69/34/643876934.db2.gz BBLCSGTVSYPXQP-NSHDSACASA-N 2 0 225.336 0.315 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282318 644313474 /nfs/dbraw/zinc/31/34/74/644313474.db2.gz MXPOBVAIJHNAAL-RYUDHWBXSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358650 644367196 /nfs/dbraw/zinc/36/71/96/644367196.db2.gz JKNZSSGQBGKFEB-AVGNSLFASA-N 2 0 224.348 0.997 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516023 644480077 /nfs/dbraw/zinc/48/00/77/644480077.db2.gz RGSAKOMSKFMFFO-XQQFMLRXSA-N 2 0 224.348 0.855 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245924030 644554425 /nfs/dbraw/zinc/55/44/25/644554425.db2.gz VOOLKOGVMWIIME-GHMZBOCLSA-N 2 0 226.368 0.983 20 30 BCEDRP C=CCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957653347 644747539 /nfs/dbraw/zinc/74/75/39/644747539.db2.gz RXQBWFQGSAVJSH-LBPRGKRZSA-N 2 0 237.347 0.268 20 30 BCEDRP CNC(NC[C@H]1C[N@H+](CC(C)C)CCO1)=[NH+]C ZINC000303262738 644813570 /nfs/dbraw/zinc/81/35/70/644813570.db2.gz QFHLMAMHJFIGEF-NSHDSACASA-N 2 0 242.367 0.138 20 30 BCEDRP COCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303265101 644814145 /nfs/dbraw/zinc/81/41/45/644814145.db2.gz TZNDPLNQWNGSFZ-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC(NC)=[NH+]C ZINC000303413614 644822180 /nfs/dbraw/zinc/82/21/80/644822180.db2.gz ZHHGEMMOQKJDTH-SECBINFHSA-N 2 0 200.330 0.512 20 30 BCEDRP CN(C)C(=[NH+]CC(C)(C)[NH+](C)C)N(C)C ZINC000303783246 644846433 /nfs/dbraw/zinc/84/64/33/644846433.db2.gz ODBNYQMBIUIJBG-UHFFFAOYSA-N 2 0 214.357 0.806 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303793285 644847308 /nfs/dbraw/zinc/84/73/08/644847308.db2.gz ZIKGULGLNJKJBD-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303886114 644854631 /nfs/dbraw/zinc/85/46/31/644854631.db2.gz KBZSVQCEBOBFCS-GHMZBOCLSA-N 2 0 242.367 0.267 20 30 BCEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)C1 ZINC000303895827 644855427 /nfs/dbraw/zinc/85/54/27/644855427.db2.gz PQOYWGYTOPFMML-NWDGAFQWSA-N 2 0 238.379 0.985 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303990656 644863189 /nfs/dbraw/zinc/86/31/89/644863189.db2.gz YYAJKGVEXHRLJU-LLVKDONJSA-N 2 0 240.351 0.188 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304746533 644928575 /nfs/dbraw/zinc/92/85/75/644928575.db2.gz FUMOPGDFNHZPQN-NSHDSACASA-N 2 0 224.352 0.809 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000928650423 645853619 /nfs/dbraw/zinc/85/36/19/645853619.db2.gz BRIVVJQQNILOBV-UHFFFAOYSA-N 2 0 249.358 0.294 20 30 BCEDRP CC#CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000717728514 712667670 /nfs/dbraw/zinc/66/76/70/712667670.db2.gz OWOJYTFTFQNRFE-FUDCBSFHSA-N 2 0 236.359 0.976 20 30 BCEDRP CCNC(NC[C@H](C)C[NH+](C)C)=[NH+]CC ZINC000395698982 711214189 /nfs/dbraw/zinc/21/41/89/711214189.db2.gz DRBDIOHAOCYRDO-JTQLQIEISA-N 2 0 214.357 0.759 20 30 BCEDRP CC[NH+]1CCC(CNC(NC)=[NH+]C)CC1 ZINC000385981652 711020601 /nfs/dbraw/zinc/02/06/01/711020601.db2.gz CULAFVCSIQDQBU-UHFFFAOYSA-N 2 0 212.341 0.513 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106107 711445345 /nfs/dbraw/zinc/44/53/45/711445345.db2.gz QSVOBJXPVRJIJG-XQQFMLRXSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020542184 711459027 /nfs/dbraw/zinc/45/90/27/711459027.db2.gz YTFXSRBLZIJMPN-JOCQHMNTSA-N 2 0 249.358 0.198 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970478580 711477921 /nfs/dbraw/zinc/47/79/21/711477921.db2.gz MGWOAJFGBHWMMY-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712143 711535958 /nfs/dbraw/zinc/53/59/58/711535958.db2.gz NCIFSAPQVMSETE-QWRGUYRKSA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891339 711543965 /nfs/dbraw/zinc/54/39/65/711543965.db2.gz NGTYRKVDMHADDU-IJLUTSLNSA-N 2 0 239.363 0.594 20 30 BCEDRP CCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000308878937 711572504 /nfs/dbraw/zinc/57/25/04/711572504.db2.gz OYUNWCVRDKMPSR-UHFFFAOYSA-N 2 0 200.330 0.689 20 30 BCEDRP C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792830 711735540 /nfs/dbraw/zinc/73/55/40/711735540.db2.gz XCDATRGGSRPGBM-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182519 711905440 /nfs/dbraw/zinc/90/54/40/711905440.db2.gz MJVHNYRXNSYTBS-GFCCVEGCSA-N 2 0 237.347 0.172 20 30 BCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033456773 711991912 /nfs/dbraw/zinc/99/19/12/711991912.db2.gz ANRHTMUJGJBYDI-GFCCVEGCSA-N 2 0 248.330 0.671 20 30 BCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661910 712011925 /nfs/dbraw/zinc/01/19/25/712011925.db2.gz NKEALMLVNZETBP-CHWSQXEVSA-N 2 0 249.358 0.104 20 30 BCEDRP C[NH+](C)C1(C)CCC(N=NC(N)=[NH2+])CC1 ZINC000715198793 712513186 /nfs/dbraw/zinc/51/31/86/712513186.db2.gz HXQAQTWFOFDWOW-UHFFFAOYSA-N 2 0 211.313 0.720 20 30 BCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000602543481 349587770 /nfs/dbraw/zinc/58/77/70/349587770.db2.gz KNFSGCWMAMVHRZ-GARJFASQSA-N 2 0 238.335 0.264 20 30 BCEDRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CCCCC#N ZINC000602534763 349602242 /nfs/dbraw/zinc/60/22/42/349602242.db2.gz KBEXFORCSCFUDH-SNVBAGLBSA-N 2 0 226.324 0.205 20 30 BCEDRP C[C@@H](CCC#N)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000602555761 349596990 /nfs/dbraw/zinc/59/69/90/349596990.db2.gz OWEWJQTUWXGOKX-LBPRGKRZSA-N 2 0 239.363 0.973 20 30 BCEDRP Cc1nccn1CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600722643 344363156 /nfs/dbraw/zinc/36/31/56/344363156.db2.gz JXACUUXNKZSDIP-LBPRGKRZSA-N 2 0 248.330 0.836 20 30 BCEDRP C=CCNC(=O)CN(CCC)C1CC[NH2+]CC1 ZINC000037538863 344552787 /nfs/dbraw/zinc/55/27/87/344552787.db2.gz MEUYGFADHBEJLH-UHFFFAOYSA-N 2 0 239.363 0.753 20 30 BCEDRP N#CCCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000378673861 345451836 /nfs/dbraw/zinc/45/18/36/345451836.db2.gz MXVOVNCQHJHHIS-GHMZBOCLSA-N 2 0 209.293 0.068 20 30 BCEDRP N#C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000378867408 345687979 /nfs/dbraw/zinc/68/79/79/345687979.db2.gz FCWQDBXPCUQQPR-KKOKHZNYSA-N 2 0 205.305 0.830 20 30 BCEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000580327432 347151123 /nfs/dbraw/zinc/15/11/23/347151123.db2.gz LRZFRTBHVTZEGM-SRVKXCTJSA-N 2 0 237.347 0.442 20 30 BCEDRP N#CCCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000601333198 347225534 /nfs/dbraw/zinc/22/55/34/347225534.db2.gz QBYWBGQMOALNLA-CYBMUJFWSA-N 2 0 236.363 0.517 20 30 BCEDRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC#N)CC1 ZINC000591739259 347694960 /nfs/dbraw/zinc/69/49/60/347694960.db2.gz DYVCNHAJHGBNDU-UHFFFAOYSA-N 2 0 224.352 0.516 20 30 BCEDRP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426637 348053019 /nfs/dbraw/zinc/05/30/19/348053019.db2.gz QCKNUPICWOSPSG-VHSXEESVSA-N 2 0 226.324 0.251 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000594438813 348054262 /nfs/dbraw/zinc/05/42/62/348054262.db2.gz LZOYWWCIIKVZBJ-MNOVXSKESA-N 2 0 238.335 0.251 20 30 BCEDRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442735 348054928 /nfs/dbraw/zinc/05/49/28/348054928.db2.gz UBBBDLXNINLVBH-MNOVXSKESA-N 2 0 240.351 0.512 20 30 BCEDRP CC(C)(CC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594450212 348057523 /nfs/dbraw/zinc/05/75/23/348057523.db2.gz UJGDYNQZIGHMEP-SNVBAGLBSA-N 2 0 240.351 0.641 20 30 BCEDRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595984293 348418582 /nfs/dbraw/zinc/41/85/82/348418582.db2.gz RDZYEOASRNECEO-NXEZZACHSA-N 2 0 226.324 0.122 20 30 BCEDRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595984302 348418832 /nfs/dbraw/zinc/41/88/32/348418832.db2.gz RDZYEOASRNECEO-ZJUUUORDSA-N 2 0 226.324 0.122 20 30 BCEDRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595984299 348418991 /nfs/dbraw/zinc/41/89/91/348418991.db2.gz RDZYEOASRNECEO-VHSXEESVSA-N 2 0 226.324 0.122 20 30 BCEDRP C[C@]1(C#N)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904979 348396534 /nfs/dbraw/zinc/39/65/34/348396534.db2.gz NLWVMYLXCYYZKJ-NWDGAFQWSA-N 2 0 235.331 0.743 20 30 BCEDRP CN1CCN(Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000122487803 363025705 /nfs/dbraw/zinc/02/57/05/363025705.db2.gz UCBCHYSVQCPCIE-CQSZACIVSA-N 2 0 244.342 0.633 20 30 BCEDRP CC[C@@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271794618 351437142 /nfs/dbraw/zinc/43/71/42/351437142.db2.gz JSNQVOJKHPXNJA-SNVBAGLBSA-N 2 0 224.352 0.951 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638101426 351979508 /nfs/dbraw/zinc/97/95/08/351979508.db2.gz PRTLUXCQPPCZRL-LBPRGKRZSA-N 2 0 249.358 0.801 20 30 BCEDRP C=CC[C@@]1(C(=O)N(CC)CC[NH3+])CCC[NH2+]1 ZINC000638513840 352339107 /nfs/dbraw/zinc/33/91/07/352339107.db2.gz WGYZJXPQWLHQMA-LBPRGKRZSA-N 2 0 225.336 0.492 20 30 BCEDRP C#CC[NH+](CC)CCOCC[N@@H+](CC)CC#C ZINC000267466836 188261037 /nfs/dbraw/zinc/26/10/37/188261037.db2.gz WQVGRBYVOOOEMI-UHFFFAOYSA-N 2 0 236.359 0.913 20 30 BCEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC#N)CC1 ZINC000583626133 355935277 /nfs/dbraw/zinc/93/52/77/355935277.db2.gz GCVPRWLWGKJCLI-ZDUSSCGKSA-N 2 0 238.379 0.763 20 30 BCEDRP C=CCNC(=O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000133298933 358749585 /nfs/dbraw/zinc/74/95/85/358749585.db2.gz UCGNPDIMQXXWEU-LLVKDONJSA-N 2 0 227.352 0.594 20 30 BCEDRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000580443125 359551711 /nfs/dbraw/zinc/55/17/11/359551711.db2.gz JJJWMJUNAANKRS-NSHDSACASA-N 2 0 240.351 0.512 20 30 BCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC#N ZINC000579583302 366890189 /nfs/dbraw/zinc/89/01/89/366890189.db2.gz NDJHDIBGDFJNRD-LLVKDONJSA-N 2 0 210.325 0.126 20 30 BCEDRP C#CC[N@@H+](C)CCCNC1=[NH+]CCCN1C ZINC000386191744 367927494 /nfs/dbraw/zinc/92/74/94/367927494.db2.gz ZLKHZXMMYYBQMX-UHFFFAOYSA-N 2 0 222.336 0.223 20 30 BCEDRP CN(CCN1CC[NH2+]CC1)Cc1ccc(C#N)o1 ZINC000600769251 369563526 /nfs/dbraw/zinc/56/35/26/369563526.db2.gz SCZWZKYULZHVCN-UHFFFAOYSA-N 2 0 248.330 0.488 20 30 BCEDRP C[N@H+](CCOCC[NH3+])Cc1cccc(C#N)c1 ZINC000600770910 369564780 /nfs/dbraw/zinc/56/47/80/369564780.db2.gz DSJLCOGMAHERIW-UHFFFAOYSA-N 2 0 233.315 0.965 20 30 BCEDRP C=CCC[C@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624337853 371486460 /nfs/dbraw/zinc/48/64/60/371486460.db2.gz PZSBAPPLAXFPCD-RYUDHWBXSA-N 2 0 212.337 0.997 20 30 BCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849814 384176069 /nfs/dbraw/zinc/17/60/69/384176069.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236736139 384564769 /nfs/dbraw/zinc/56/47/69/384564769.db2.gz CBYFDVTWUUSYAX-LBPRGKRZSA-N 2 0 239.363 0.736 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328321 384982703 /nfs/dbraw/zinc/98/27/03/384982703.db2.gz QYXKUVZBZXDBEA-NEPJUHHUSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000171539996 385494753 /nfs/dbraw/zinc/49/47/53/385494753.db2.gz RBVZAWQMHRHTGY-UHFFFAOYSA-N 2 0 224.352 0.951 20 30 BCEDRP C#CCNC(NC[C@@H](C1CC1)[NH+](C)C)=[NH+]C ZINC000262611033 533140891 /nfs/dbraw/zinc/14/08/91/533140891.db2.gz JFVQTKRWKAOOPY-NSHDSACASA-N 2 0 222.336 0.125 20 30 BCEDRP C#CCNC(=[NH+]C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262440382 533140927 /nfs/dbraw/zinc/14/09/27/533140927.db2.gz HKEXFTPSTZYAFL-ZDUSSCGKSA-N 2 0 248.374 0.755 20 30 BCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125383118 386839194 /nfs/dbraw/zinc/83/91/94/386839194.db2.gz XSKLPUUQZRCLDO-TUAOUCFPSA-N 2 0 237.347 0.348 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)[NH2+]1 ZINC000424070358 387476310 /nfs/dbraw/zinc/47/63/10/387476310.db2.gz AJBYLANULJJYDZ-GMTAPVOTSA-N 2 0 238.335 0.216 20 30 BCEDRP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424075942 387477840 /nfs/dbraw/zinc/47/78/40/387477840.db2.gz KOFPPAFGGQVFKQ-GHMZBOCLSA-N 2 0 240.351 0.641 20 30 BCEDRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424078834 387479904 /nfs/dbraw/zinc/47/99/04/387479904.db2.gz QICJNZQPRORYPO-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424080690 387482948 /nfs/dbraw/zinc/48/29/48/387482948.db2.gz TYHPVDLZOIGTLL-GHMZBOCLSA-N 2 0 240.351 0.497 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000424157053 387827613 /nfs/dbraw/zinc/82/76/13/387827613.db2.gz PAJWMLBXCMDDSV-WDEREUQCSA-N 2 0 223.320 0.100 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014362 387836372 /nfs/dbraw/zinc/83/63/72/387836372.db2.gz ICYYMQSFTJOKMV-SRVKXCTJSA-N 2 0 212.337 0.901 20 30 BCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424173611 387873975 /nfs/dbraw/zinc/87/39/75/387873975.db2.gz FGVOWDQNKMRRSU-NXEZZACHSA-N 2 0 238.335 0.264 20 30 BCEDRP C=CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000156186756 387934383 /nfs/dbraw/zinc/93/43/83/387934383.db2.gz ZHHPWEXDRRHVSA-UHFFFAOYSA-N 2 0 211.353 0.742 20 30 BCEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423204885 387991704 /nfs/dbraw/zinc/99/17/04/387991704.db2.gz OXNJTSYIRMFYDI-CHWSQXEVSA-N 2 0 236.363 0.564 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083907664 388066746 /nfs/dbraw/zinc/06/67/46/388066746.db2.gz VVYFJANOICSJIL-LBPRGKRZSA-N 2 0 237.347 0.505 20 30 BCEDRP C#CC[NH+](C)CCOCC[N@@H+](C)CC#C ZINC000491730998 388315648 /nfs/dbraw/zinc/31/56/48/388315648.db2.gz LVYUNXZTBFXJIX-UHFFFAOYSA-N 2 0 208.305 0.133 20 30 BCEDRP C#CCN(C)CCC[NH2+][C@H](CC)Cn1cncn1 ZINC000491784419 388321044 /nfs/dbraw/zinc/32/10/44/388321044.db2.gz PLVUDYNDPLCRJV-CYBMUJFWSA-N 2 0 249.362 0.601 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000491804758 388321801 /nfs/dbraw/zinc/32/18/01/388321801.db2.gz MKPYNVQYSYOXJY-UHFFFAOYSA-N 2 0 222.336 0.608 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553611 134248254 /nfs/dbraw/zinc/24/82/54/134248254.db2.gz ZPLFQSPKIJEJQM-MNOVXSKESA-N 2 0 225.336 0.348 20 30 BCEDRP CN(C)C(=[NH+]CC1=CC[N@H+](C)CC1)N(C)C ZINC000263195130 135125383 /nfs/dbraw/zinc/12/53/83/135125383.db2.gz ZWMZDSSUUMKLLG-UHFFFAOYSA-N 2 0 224.352 0.728 20 30 BCEDRP CNC(=[NH2+])NC[C@H](C)N1CCc2ccccc2C1 ZINC000264082249 135131892 /nfs/dbraw/zinc/13/18/92/135131892.db2.gz HRQBXISYRHEVHE-NSHDSACASA-N 2 0 246.358 0.967 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000264084283 135131954 /nfs/dbraw/zinc/13/19/54/135131954.db2.gz JCVYDABYHLWDQH-UHFFFAOYSA-N 2 0 224.352 0.953 20 30 BCEDRP CNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264113727 135133784 /nfs/dbraw/zinc/13/37/84/135133784.db2.gz RXHIWHYUFNCEOT-UHFFFAOYSA-N 2 0 246.358 0.969 20 30 BCEDRP CN1CC[NH+]=C1NCC1CC[NH+](C)CC1 ZINC000261529689 135156315 /nfs/dbraw/zinc/15/63/15/135156315.db2.gz BJBSBXNGFJCDIN-UHFFFAOYSA-N 2 0 210.325 0.219 20 30 BCEDRP C=CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261531344 135159750 /nfs/dbraw/zinc/15/97/50/135159750.db2.gz GEOWDUWWGIZERW-GFCCVEGCSA-N 2 0 209.337 0.542 20 30 BCEDRP CN1CC[NH+]=C1NCC[N@H+](C)C1CCCC1 ZINC000261561205 135202289 /nfs/dbraw/zinc/20/22/89/135202289.db2.gz AMAOHYKKDGTERV-UHFFFAOYSA-N 2 0 224.352 0.752 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2(C)CC[NH+](C)CC2)N1 ZINC000261561790 135202962 /nfs/dbraw/zinc/20/29/62/135202962.db2.gz AVIYIGVFZBEGQR-JTQLQIEISA-N 2 0 224.352 0.656 20 30 BCEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@@H+](C3CC3)C2)N1 ZINC000261593927 135234648 /nfs/dbraw/zinc/23/46/48/135234648.db2.gz XDGHPEANWSXKFL-ZJUUUORDSA-N 2 0 222.336 0.408 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[NH+]2CCCCCC2)N1 ZINC000261595455 135235144 /nfs/dbraw/zinc/23/51/44/135235144.db2.gz YDYLCSHOCYJKIJ-LLVKDONJSA-N 2 0 224.352 0.800 20 30 BCEDRP C[C@H]1CN(C(=[NH2+])NCC[NH2+]C(C)(C)C)CCO1 ZINC000262469258 135301260 /nfs/dbraw/zinc/30/12/60/135301260.db2.gz OKFXGHBSUSMFAD-JTQLQIEISA-N 2 0 242.367 0.410 20 30 BCEDRP CN1CC[NH+]=C1NC[C@@H](C1CC1)[NH+](C)C ZINC000262630212 135309580 /nfs/dbraw/zinc/30/95/80/135309580.db2.gz FMLWJSWRWRSQIP-JTQLQIEISA-N 2 0 210.325 0.218 20 30 BCEDRP CC[NH+](CC)CCOCCNC1=[NH+]C[C@@H](C)N1 ZINC000262634687 135310231 /nfs/dbraw/zinc/31/02/31/135310231.db2.gz GMUNJHAVGPUFHR-LLVKDONJSA-N 2 0 242.367 0.282 20 30 BCEDRP CN1CC[NH+]=C1NCCNc1cc[nH+]cc1 ZINC000262636401 135310582 /nfs/dbraw/zinc/31/05/82/135310582.db2.gz GYOMQXUGVNEPJN-UHFFFAOYSA-N 2 0 219.292 0.385 20 30 BCEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CCC1)N(C)C ZINC000262755807 135317005 /nfs/dbraw/zinc/31/70/05/135317005.db2.gz DIQZKKDRVSEKQR-UHFFFAOYSA-N 2 0 226.368 0.950 20 30 BCEDRP [NH2+]=C(NCCN1CCC1)NCC1CCC1 ZINC000262818653 135319745 /nfs/dbraw/zinc/31/97/45/135319745.db2.gz XMSOHAOKERVKEK-UHFFFAOYSA-N 2 0 210.325 0.397 20 30 BCEDRP CN1CC[NH+]=C1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000263142032 135335541 /nfs/dbraw/zinc/33/55/41/135335541.db2.gz OITRDWCBABHWOI-NSHDSACASA-N 2 0 224.352 0.609 20 30 BCEDRP CN1CCN(Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000226614244 409778734 /nfs/dbraw/zinc/77/87/34/409778734.db2.gz UCBCHYSVQCPCIE-AWEZNQCLSA-N 2 0 244.342 0.633 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662783712 409912535 /nfs/dbraw/zinc/91/25/35/409912535.db2.gz QNNHNOWUGWXUIS-JFGNBEQYSA-N 2 0 225.336 0.537 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662395296 412144145 /nfs/dbraw/zinc/14/41/45/412144145.db2.gz DRXCVOKCOTVGBQ-ZDUSSCGKSA-N 2 0 237.347 0.507 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662394965 412144354 /nfs/dbraw/zinc/14/43/54/412144354.db2.gz AAZCZXIHBYVAJT-DGCLKSJQSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662394934 412144708 /nfs/dbraw/zinc/14/47/08/412144708.db2.gz GQWSFQRRMVIXCV-DGCLKSJQSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662403243 412150996 /nfs/dbraw/zinc/15/09/96/412150996.db2.gz BZMXXMLYOLSJKS-JQWIXIFHSA-N 2 0 223.320 0.244 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662423927 412164395 /nfs/dbraw/zinc/16/43/95/412164395.db2.gz PXCDHASGMPEBRL-AAEUAGOBSA-N 2 0 239.363 0.784 20 30 BCEDRP C=CC[C@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000662659370 412259936 /nfs/dbraw/zinc/25/99/36/412259936.db2.gz KRPPIRBJVNYWSP-CYBMUJFWSA-N 2 0 239.363 0.753 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000662764995 412294729 /nfs/dbraw/zinc/29/47/29/412294729.db2.gz PSFMEIQCRWYJMC-ZDUSSCGKSA-N 2 0 237.347 0.682 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000662765857 412295226 /nfs/dbraw/zinc/29/52/26/412295226.db2.gz CXKBHIOPPPHTNR-KOLCDFICSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CCNC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487042 323020408 /nfs/dbraw/zinc/02/04/08/323020408.db2.gz VWWWXCXTQYAWKU-TUAOUCFPSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000248516753 323023935 /nfs/dbraw/zinc/02/39/35/323023935.db2.gz OYTPEVKRVUOEEK-SDDRHHMPSA-N 2 0 212.337 0.996 20 30 BCEDRP C=CCN1CC[C@H](N2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683891 323067132 /nfs/dbraw/zinc/06/71/32/323067132.db2.gz IKQVUMFYFOJHNX-TUAOUCFPSA-N 2 0 237.347 0.442 20 30 BCEDRP C=C(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000571315504 323141213 /nfs/dbraw/zinc/14/12/13/323141213.db2.gz IGEOBBBWKTZCEM-ZDUSSCGKSA-N 2 0 241.379 0.151 20 30 BCEDRP C#CCN(C)CCC[NH2+]CC1(O)CCCC1 ZINC000328222665 324254486 /nfs/dbraw/zinc/25/44/86/324254486.db2.gz APSLQUQKVPUMED-UHFFFAOYSA-N 2 0 224.348 0.836 20 30 BCEDRP C=CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566571956 326065807 /nfs/dbraw/zinc/06/58/07/326065807.db2.gz IBSVDTFWBNFYAL-MNOVXSKESA-N 2 0 223.320 0.196 20 30 BCEDRP C=CCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304628037 534718641 /nfs/dbraw/zinc/71/86/41/534718641.db2.gz VBEPWXHQZTUJOD-CYBMUJFWSA-N 2 0 223.364 0.932 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H](C)[NH+](CC)CC ZINC000264089805 534843837 /nfs/dbraw/zinc/84/38/37/534843837.db2.gz KOFKYZHUQGKYMN-JTQLQIEISA-N 2 0 212.341 0.807 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262675358 535134384 /nfs/dbraw/zinc/13/43/84/535134384.db2.gz SYIFDZXEGPVVKB-GFCCVEGCSA-N 2 0 238.379 0.855 20 30 BCEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCCOC ZINC000112495739 588800474 /nfs/dbraw/zinc/80/04/74/588800474.db2.gz LJAQHFCEWURKJE-UHFFFAOYSA-N 2 0 230.356 0.269 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC#N ZINC000849023231 582829993 /nfs/dbraw/zinc/82/99/93/582829993.db2.gz AANIFWQXWSLHQT-SNVBAGLBSA-N 2 0 223.324 0.498 20 30 BCEDRP C#CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880140898 583472840 /nfs/dbraw/zinc/47/28/40/583472840.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 0 222.332 0.805 20 30 BCEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2CO)C1 ZINC000895200250 583624154 /nfs/dbraw/zinc/62/41/54/583624154.db2.gz FGIZSHBGCYXFEF-CYBMUJFWSA-N 2 0 245.326 0.505 20 30 BCEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000203023349 583962204 /nfs/dbraw/zinc/96/22/04/583962204.db2.gz NPTKJKNFANRKOH-VIFPVBQESA-N 2 0 210.325 0.395 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+](C)C ZINC000900690231 584342134 /nfs/dbraw/zinc/34/21/34/584342134.db2.gz OZPDNGUVUBWRRF-UHFFFAOYSA-N 2 0 241.379 0.952 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCC1 ZINC000901181682 584392072 /nfs/dbraw/zinc/39/20/72/584392072.db2.gz VPJHYDLILVVXAM-UHFFFAOYSA-N 2 0 225.336 0.316 20 30 BCEDRP C=CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342717 584867373 /nfs/dbraw/zinc/86/73/73/584867373.db2.gz OGEFCZJSBHWDFH-TUAOUCFPSA-N 2 0 237.347 0.442 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514928 584885524 /nfs/dbraw/zinc/88/55/24/584885524.db2.gz VMPDNNHPNRGOHN-ZJUUUORDSA-N 2 0 245.754 0.715 20 30 BCEDRP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@H](C)C2)=[NH+]1 ZINC000779794152 585763659 /nfs/dbraw/zinc/76/36/59/585763659.db2.gz CZKCKTARZOCARL-RKDXNWHRSA-N 2 0 223.324 0.394 20 30 BCEDRP C[NH+](C)[C@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000788408606 585922618 /nfs/dbraw/zinc/92/26/18/585922618.db2.gz MRLGXPFPCBCHJP-JTQLQIEISA-N 2 0 207.281 0.986 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804381519 586394472 /nfs/dbraw/zinc/39/44/72/586394472.db2.gz PLPFBASDSROKKP-GFCCVEGCSA-N 2 0 239.363 0.657 20 30 BCEDRP CC(=NNC(N)=[NH2+])c1ccc2c(c1)CC[NH2+]CC2 ZINC000814796683 586634429 /nfs/dbraw/zinc/63/44/29/586634429.db2.gz LKUSKJYLMGINDJ-UHFFFAOYSA-N 2 0 245.330 0.582 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000822461197 587169340 /nfs/dbraw/zinc/16/93/40/587169340.db2.gz SMVJIEOSIAMFNE-JTQLQIEISA-N 2 0 213.325 0.171 20 30 BCEDRP C[C@@H]1CNC(NN=C2CCC[N@@H+]3CCCC[C@H]23)=[NH+]1 ZINC000848408211 588379241 /nfs/dbraw/zinc/37/92/41/588379241.db2.gz GUUOYFFOXCAZJO-ZYHUDNBSSA-N 2 0 249.362 0.928 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000848992556 588427834 /nfs/dbraw/zinc/42/78/34/588427834.db2.gz JEKLNEFOWTYTEP-SNVBAGLBSA-N 2 0 210.325 0.628 20 30 BCEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000848996520 588429168 /nfs/dbraw/zinc/42/91/68/588429168.db2.gz BFNZBADTXAFZIK-VIFPVBQESA-N 2 0 200.330 0.416 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004776 588432118 /nfs/dbraw/zinc/43/21/18/588432118.db2.gz ZBQDJFWILHCHRN-JTQLQIEISA-N 2 0 210.325 0.628 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO ZINC000849034244 588444260 /nfs/dbraw/zinc/44/42/60/588444260.db2.gz PBMQLQXZXJZVSR-NSHDSACASA-N 2 0 240.351 0.133 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000852793412 588703296 /nfs/dbraw/zinc/70/32/96/588703296.db2.gz AHMAWWLYEGGSCZ-ZDUSSCGKSA-N 2 0 249.358 0.248 20 30 BCEDRP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000852796872 588703543 /nfs/dbraw/zinc/70/35/43/588703543.db2.gz ILGQGECCERYGHV-RYUDHWBXSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000852874137 588709966 /nfs/dbraw/zinc/70/99/66/588709966.db2.gz HZEPDKBSTSYMPP-VXGBXAGGSA-N 2 0 249.358 0.198 20 30 BCEDRP CC1(NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000852877565 588710517 /nfs/dbraw/zinc/71/05/17/588710517.db2.gz AWSHTNUCCLYERI-UHFFFAOYSA-N 2 0 249.358 0.248 20 30 BCEDRP [NH3+]CC1(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852896094 588712107 /nfs/dbraw/zinc/71/21/07/588712107.db2.gz RYQUMQYIFIBZRL-UHFFFAOYSA-N 2 0 249.358 0.235 20 30 BCEDRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852898214 588712423 /nfs/dbraw/zinc/71/24/23/588712423.db2.gz XFSCTJFEXRBVAR-DGCLKSJQSA-N 2 0 249.358 0.328 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)Cn1cncc1C ZINC000861837680 589180039 /nfs/dbraw/zinc/18/00/39/589180039.db2.gz HUNKVMVEBSYLCZ-UHFFFAOYSA-N 2 0 248.330 0.263 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000203019309 589208737 /nfs/dbraw/zinc/20/87/37/589208737.db2.gz MJQXORKNMDDIIQ-JTQLQIEISA-N 2 0 210.325 0.537 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500987 590202906 /nfs/dbraw/zinc/20/29/06/590202906.db2.gz LNSOXBQRNAJILI-RKDXNWHRSA-N 2 0 231.727 0.406 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000876508081 590204848 /nfs/dbraw/zinc/20/48/48/590204848.db2.gz IFKVDOWWFLHTOB-JTQLQIEISA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514786 590206668 /nfs/dbraw/zinc/20/66/68/590206668.db2.gz ZKOZMCGYQKBLAC-VHSXEESVSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528061 590208978 /nfs/dbraw/zinc/20/89/78/590208978.db2.gz JTXJFHIJEAPARH-IUCAKERBSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528059 590209256 /nfs/dbraw/zinc/20/92/56/590209256.db2.gz JTXJFHIJEAPARH-BDAKNGLRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000876529417 590209503 /nfs/dbraw/zinc/20/95/03/590209503.db2.gz COGNVHMTLYZJCB-GUBZILKMSA-N 2 0 245.754 0.665 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876529081 590209680 /nfs/dbraw/zinc/20/96/80/590209680.db2.gz DZMOKDMMUPTJDL-ONGXEEELSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000876529418 590209713 /nfs/dbraw/zinc/20/97/13/590209713.db2.gz COGNVHMTLYZJCB-KXUCPTDWSA-N 2 0 245.754 0.665 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000876532448 590210362 /nfs/dbraw/zinc/21/03/62/590210362.db2.gz HEUYEXGVWMGLKC-UWVGGRQHSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000876531913 590210410 /nfs/dbraw/zinc/21/04/10/590210410.db2.gz STZBKTVDKOHLIX-HTQZYQBOSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000876541250 590212041 /nfs/dbraw/zinc/21/20/41/590212041.db2.gz VZZUIWJCGDLQGB-UWVGGRQHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000876541252 590212373 /nfs/dbraw/zinc/21/23/73/590212373.db2.gz VZZUIWJCGDLQGB-ZJUUUORDSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000876706682 590232155 /nfs/dbraw/zinc/23/21/55/590232155.db2.gz BVKHANQJBRNGCR-JTQLQIEISA-N 2 0 247.770 0.914 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000876713630 590232564 /nfs/dbraw/zinc/23/25/64/590232564.db2.gz SASDSFDWMCLOHW-SNVBAGLBSA-N 2 0 245.754 0.668 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000876733459 590233934 /nfs/dbraw/zinc/23/39/34/590233934.db2.gz YIASFFHFKNLRNZ-VHSXEESVSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000876738529 590235044 /nfs/dbraw/zinc/23/50/44/590235044.db2.gz GFCZOEXBMDGNSR-NXEZZACHSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829014 590246903 /nfs/dbraw/zinc/24/69/03/590246903.db2.gz NKXHPBVJLFCKHN-AEJSXWLSSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000876863553 590250961 /nfs/dbraw/zinc/25/09/61/590250961.db2.gz GRNRALZQSVQBIA-JGVFFNPUSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000876868005 590251295 /nfs/dbraw/zinc/25/12/95/590251295.db2.gz SROOMNHGKUXCDW-SECBINFHSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876871636 590251930 /nfs/dbraw/zinc/25/19/30/590251930.db2.gz MYOVLLJPISJWQG-VIFPVBQESA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000876938603 590258838 /nfs/dbraw/zinc/25/88/38/590258838.db2.gz JZFNQZBXTLCLLU-JTQLQIEISA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000876953121 590261177 /nfs/dbraw/zinc/26/11/77/590261177.db2.gz YQSIRJQGJCERED-BBBLOLIVSA-N 2 0 245.754 0.795 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000876963930 590261965 /nfs/dbraw/zinc/26/19/65/590261965.db2.gz LLAPMHXYWLGREF-SECBINFHSA-N 2 0 245.754 0.844 20 30 BCEDRP C[C@@H]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[NH2+]1 ZINC000877050899 590274562 /nfs/dbraw/zinc/27/45/62/590274562.db2.gz JHPJAWHJNJFJJE-DGCLKSJQSA-N 2 0 249.358 0.246 20 30 BCEDRP C[C@@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[NH2+]1 ZINC000877050902 590274952 /nfs/dbraw/zinc/27/49/52/590274952.db2.gz JHPJAWHJNJFJJE-YPMHNXCESA-N 2 0 249.358 0.246 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000877173009 590296753 /nfs/dbraw/zinc/29/67/53/590296753.db2.gz WWEBCZOYUBFTMS-CIUDSAMLSA-N 2 0 231.727 0.404 20 30 BCEDRP COCC#CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137769 590940526 /nfs/dbraw/zinc/94/05/26/590940526.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 0 222.332 0.805 20 30 BCEDRP C#CC[N@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000829300842 592707466 /nfs/dbraw/zinc/70/74/66/592707466.db2.gz QVSCFYBKOWZQDL-UHFFFAOYSA-N 2 0 222.336 0.271 20 30 BCEDRP C=CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925702728 634377916 /nfs/dbraw/zinc/37/79/16/634377916.db2.gz AZJWBBHDNHALME-IWDIQUIJSA-N 2 0 210.321 0.904 20 30 BCEDRP C#CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000178586237 635536700 /nfs/dbraw/zinc/53/67/00/635536700.db2.gz PDZXMBUPWTYQMW-LBPRGKRZSA-N 2 0 236.363 0.788 20 30 BCEDRP C#CCN(C)CCC[NH2+]Cc1c[nH]nc1C ZINC000328206838 633743236 /nfs/dbraw/zinc/74/32/36/633743236.db2.gz VEFPFXMLEZUQKF-UHFFFAOYSA-N 2 0 220.320 0.763 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980538330 635237157 /nfs/dbraw/zinc/23/71/57/635237157.db2.gz FDKILFMKEJCDSU-LBPRGKRZSA-N 2 0 246.314 0.049 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303886117 636313101 /nfs/dbraw/zinc/31/31/01/636313101.db2.gz KBZSVQCEBOBFCS-WDEREUQCSA-N 2 0 242.367 0.267 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000908344905 638658186 /nfs/dbraw/zinc/65/81/86/638658186.db2.gz HDHJSGXHQXSQAM-NSHDSACASA-N 2 0 241.379 0.808 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911671098 639697297 /nfs/dbraw/zinc/69/72/97/639697297.db2.gz WKEDXHUYDIZBFH-GFCCVEGCSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692802 639729335 /nfs/dbraw/zinc/72/93/35/639729335.db2.gz XKCIQVFSTOKRIY-GFCCVEGCSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911723504 639749858 /nfs/dbraw/zinc/74/98/58/639749858.db2.gz FAKGXDZTUHIEBJ-QWRGUYRKSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738134 639764925 /nfs/dbraw/zinc/76/49/25/639764925.db2.gz GVYFGTUFURIYRI-UWVGGRQHSA-N 2 0 211.309 0.230 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802353 639824953 /nfs/dbraw/zinc/82/49/53/639824953.db2.gz JECCBAGPXGJFPX-DGCLKSJQSA-N 2 0 239.363 0.914 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911812727 639834280 /nfs/dbraw/zinc/83/42/80/639834280.db2.gz VEJIICFWWHQQLZ-GHMZBOCLSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851738 639858736 /nfs/dbraw/zinc/85/87/36/639858736.db2.gz JCADCQQBIMTMOR-MNOVXSKESA-N 2 0 225.336 0.620 20 30 BCEDRP CCCCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907738 640935475 /nfs/dbraw/zinc/93/54/75/640935475.db2.gz BKPDPRMOOYZYIF-UHFFFAOYSA-N 2 0 212.341 0.787 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908626 640937317 /nfs/dbraw/zinc/93/73/17/640937317.db2.gz IKMJMTMNOKTGTA-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014954115 641211649 /nfs/dbraw/zinc/21/16/49/641211649.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CCCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030961203 641527931 /nfs/dbraw/zinc/52/79/31/641527931.db2.gz RUQKZIIDFXJSMV-DGCLKSJQSA-N 2 0 249.358 0.008 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204809 642327077 /nfs/dbraw/zinc/32/70/77/642327077.db2.gz OYWUHVGNRUNBIK-OLZOCXBDSA-N 2 0 249.358 0.247 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCF ZINC000305106018 642643015 /nfs/dbraw/zinc/64/30/15/642643015.db2.gz BKZBKQNGALVAFN-SNVBAGLBSA-N 2 0 230.331 0.735 20 30 BCEDRP CN(C(=[NH2+])NCC[NH+]1CCCCC1)C1CC1 ZINC000305818089 642701382 /nfs/dbraw/zinc/70/13/82/642701382.db2.gz NGYAJTOTGGMHGT-UHFFFAOYSA-N 2 0 224.352 0.881 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968725331 642818125 /nfs/dbraw/zinc/81/81/25/642818125.db2.gz SCTHVFUNFQTCPC-JHJVBQTASA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912992 642821791 /nfs/dbraw/zinc/82/17/91/642821791.db2.gz ZNJDGROTHRHMBY-OLZOCXBDSA-N 2 0 249.358 0.150 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001019153853 643020119 /nfs/dbraw/zinc/02/01/19/643020119.db2.gz NCUVVKYHFZNJBL-LBPRGKRZSA-N 2 0 248.330 0.568 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020169574 643059994 /nfs/dbraw/zinc/05/99/94/643059994.db2.gz BJBPSWLYMOSDRR-FDYHWXHSSA-N 2 0 249.358 0.197 20 30 BCEDRP CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000183646089 643152400 /nfs/dbraw/zinc/15/24/00/643152400.db2.gz CAPMJDDCIIGNJQ-UHFFFAOYSA-N 2 0 212.341 0.643 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591174 643221534 /nfs/dbraw/zinc/22/15/34/643221534.db2.gz GMSNGWUBBBMTLZ-FDYHWXHSSA-N 2 0 249.358 0.054 20 30 BCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921163 643799232 /nfs/dbraw/zinc/79/92/32/643799232.db2.gz XHLHZDFVVFZLTN-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921157 643799917 /nfs/dbraw/zinc/79/99/17/643799917.db2.gz XHLHZDFVVFZLTN-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923288270 644320850 /nfs/dbraw/zinc/32/08/50/644320850.db2.gz ZCWREQJQFQRIGH-CYBMUJFWSA-N 2 0 241.379 0.151 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923286006 644321188 /nfs/dbraw/zinc/32/11/88/644321188.db2.gz KXMYHMPSHICNBP-NWDGAFQWSA-N 2 0 212.337 0.855 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923379885 644394823 /nfs/dbraw/zinc/39/48/23/644394823.db2.gz BDKTYPOEXMZVMW-NSHDSACASA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504003 644475506 /nfs/dbraw/zinc/47/55/06/644475506.db2.gz NTBAHZDDHCHMQL-QWRGUYRKSA-N 2 0 225.336 0.205 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515356 644479058 /nfs/dbraw/zinc/47/90/58/644479058.db2.gz RKAGFGQXRHSQMV-IJLUTSLNSA-N 2 0 212.337 0.840 20 30 BCEDRP C#CCN1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000923552820 644495372 /nfs/dbraw/zinc/49/53/72/644495372.db2.gz ZZYRXHZXPMJFBT-VXGBXAGGSA-N 2 0 237.347 0.150 20 30 BCEDRP CC[NH+](CC)CCNC(NC1CC1)=[NH+]C ZINC000303410463 644822514 /nfs/dbraw/zinc/82/25/14/644822514.db2.gz WFVLAWWXGWMLBP-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP CC(C)CCNC(=[NH2+])NCCC[NH+](C)C ZINC000303715647 644841092 /nfs/dbraw/zinc/84/10/92/644841092.db2.gz SCTGKESICSDCDV-UHFFFAOYSA-N 2 0 214.357 0.889 20 30 BCEDRP CC(C)CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303872626 644850452 /nfs/dbraw/zinc/85/04/52/644850452.db2.gz GMIBOQZLIAGZII-LLVKDONJSA-N 2 0 226.368 0.887 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303990658 644862289 /nfs/dbraw/zinc/86/22/89/644862289.db2.gz YYAJKGVEXHRLJU-NSHDSACASA-N 2 0 240.351 0.188 20 30 BCEDRP CC(C)[N@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303989801 644863278 /nfs/dbraw/zinc/86/32/78/644863278.db2.gz XWONDANPBHMXRX-UHFFFAOYSA-N 2 0 214.357 0.806 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000928648679 645848449 /nfs/dbraw/zinc/84/84/49/645848449.db2.gz PVCOJBUSBCFCJF-NSHDSACASA-N 2 0 237.347 0.150 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000928648678 645849304 /nfs/dbraw/zinc/84/93/04/645849304.db2.gz PVCOJBUSBCFCJF-LLVKDONJSA-N 2 0 237.347 0.150 20 30 BCEDRP C=CC[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925550929 646328532 /nfs/dbraw/zinc/32/85/32/646328532.db2.gz UWPLPSDIZRUFOV-ZDUSSCGKSA-N 2 0 239.363 0.215 20 30 BCEDRP C=C(C)C[C@@H](CO)[NH2+][C@H](CCC[NH3+])COC ZINC000925771104 646471192 /nfs/dbraw/zinc/47/11/92/646471192.db2.gz MPDJSYONKLKUML-NEPJUHHUSA-N 2 0 230.352 0.657 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925773115 646473013 /nfs/dbraw/zinc/47/30/13/646473013.db2.gz WWYUTZTZDIJOCK-GRYCIOLGSA-N 2 0 212.337 0.901 20 30 BCEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170912030 711837840 /nfs/dbraw/zinc/83/78/40/711837840.db2.gz MBOGDJNUCKJKAN-NSHDSACASA-N 2 0 226.368 0.983 20 30 BCEDRP C[N@@H+]1C[C@@H]2CN(CCOCCC#N)C[C@]2(C)C1 ZINC000702415815 712051420 /nfs/dbraw/zinc/05/14/20/712051420.db2.gz IILKFGGKLRBTNW-OLZOCXBDSA-N 2 0 237.347 0.800 20 30 BCEDRP CNC(NCC1(C)CC[NH+](C)CC1)=[NH+]C ZINC000386085165 711022274 /nfs/dbraw/zinc/02/22/74/711022274.db2.gz HHRIRIHWGAUIOG-UHFFFAOYSA-N 2 0 212.341 0.513 20 30 BCEDRP CC[NH+](CC)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000389351220 711077270 /nfs/dbraw/zinc/07/72/70/711077270.db2.gz YDKXBJIQXNMOGL-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106106 711445243 /nfs/dbraw/zinc/44/52/43/711445243.db2.gz QSVOBJXPVRJIJG-AVGNSLFASA-N 2 0 249.358 0.150 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCC(C)CC1 ZINC000170912002 711837891 /nfs/dbraw/zinc/83/78/91/711837891.db2.gz IGBOOFBQVVQOKY-NSHDSACASA-N 2 0 226.368 0.983 20 30 BCEDRP CN(C)C(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000170911810 711837897 /nfs/dbraw/zinc/83/78/97/711837897.db2.gz GOFMIZRMPGFBBK-UHFFFAOYSA-N 2 0 212.341 0.595 20 30 BCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661912 712011611 /nfs/dbraw/zinc/01/16/11/712011611.db2.gz NKEALMLVNZETBP-OLZOCXBDSA-N 2 0 249.358 0.104 20 30 BCEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000714997029 712503299 /nfs/dbraw/zinc/50/32/99/712503299.db2.gz XRRRYDGMVCDGFV-QWHCGFSZSA-N 2 0 223.364 0.931 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000876796312 712629724 /nfs/dbraw/zinc/62/97/24/712629724.db2.gz KFLLCEWLXIHVSO-GUBZILKMSA-N 2 0 245.754 0.665 20 30 BCEDRP C=CCNC(=O)CN1CCC[C@@H](C[NH2+]C)C1 ZINC000040601075 136222405 /nfs/dbraw/zinc/22/24/05/136222405.db2.gz WVYVCTIZRAGFMM-NSHDSACASA-N 2 0 225.336 0.220 20 30 BCEDRP C[C@H](C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530642110 343145725 /nfs/dbraw/zinc/14/57/25/343145725.db2.gz NZIKLQMFSFALSF-LLVKDONJSA-N 2 0 240.351 0.098 20 30 BCEDRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000600712537 344361731 /nfs/dbraw/zinc/36/17/31/344361731.db2.gz XYAKUKBMCOANDT-VXGBXAGGSA-N 2 0 225.336 0.894 20 30 BCEDRP C=CCNC(=O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807710 362766480 /nfs/dbraw/zinc/76/64/80/362766480.db2.gz JEXYNSRZTSOUFE-UTUOFQBUSA-N 2 0 239.363 0.736 20 30 BCEDRP N#Cc1cccc(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000580649696 365845202 /nfs/dbraw/zinc/84/52/02/365845202.db2.gz RMYOFAUCAMOKNM-CYBMUJFWSA-N 2 0 231.299 0.636 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000195522008 347457052 /nfs/dbraw/zinc/45/70/52/347457052.db2.gz QNMNQRWEGOQDAY-UHFFFAOYSA-N 2 0 210.325 0.563 20 30 BCEDRP COCCN1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000336776192 347503690 /nfs/dbraw/zinc/50/36/90/347503690.db2.gz DZWXROHVRSEHSX-LBPRGKRZSA-N 2 0 225.336 0.991 20 30 BCEDRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425142 348051311 /nfs/dbraw/zinc/05/13/11/348051311.db2.gz KDONHLCZSJCCCG-LLVKDONJSA-N 2 0 240.351 0.513 20 30 BCEDRP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594425609 348052040 /nfs/dbraw/zinc/05/20/40/348052040.db2.gz LNDVCALYBPQQFL-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445371 348055615 /nfs/dbraw/zinc/05/56/15/348055615.db2.gz DQNNVKOUWKZPMR-LLVKDONJSA-N 2 0 240.351 0.466 20 30 BCEDRP C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000595936345 348408689 /nfs/dbraw/zinc/40/86/89/348408689.db2.gz BHCHNDYZIUUCEP-MNOVXSKESA-N 2 0 240.351 0.464 20 30 BCEDRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])CCCCC#N ZINC000595934970 348391558 /nfs/dbraw/zinc/39/15/58/348391558.db2.gz PMESAYMZTOXQRW-JTQLQIEISA-N 2 0 240.351 0.593 20 30 BCEDRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]([NH3+])CCCC#N ZINC000595934231 348393652 /nfs/dbraw/zinc/39/36/52/348393652.db2.gz LGWKYRYICZIBOT-VIFPVBQESA-N 2 0 226.324 0.203 20 30 BCEDRP C[C@@]1(C#N)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904980 348396147 /nfs/dbraw/zinc/39/61/47/348396147.db2.gz NLWVMYLXCYYZKJ-RYUDHWBXSA-N 2 0 235.331 0.743 20 30 BCEDRP N#CCSCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308910651 349058652 /nfs/dbraw/zinc/05/86/52/349058652.db2.gz VEXUSVJFPWDZQF-PHIMTYICSA-N 2 0 225.361 0.784 20 30 BCEDRP C=CCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070593220 350544512 /nfs/dbraw/zinc/54/45/12/350544512.db2.gz KIOSIGQOXWAADC-UHFFFAOYSA-N 2 0 225.336 0.316 20 30 BCEDRP C=CC[NH+](CC=C)CCC(=O)N1CC[NH2+]CC1 ZINC000032021810 166335684 /nfs/dbraw/zinc/33/56/84/166335684.db2.gz XTOZUJXRUDWATI-UHFFFAOYSA-N 2 0 237.347 0.482 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000083907663 166352918 /nfs/dbraw/zinc/35/29/18/166352918.db2.gz CUJKQRKKKUTLSE-UHFFFAOYSA-N 2 0 225.336 0.490 20 30 BCEDRP C=C(C)[C@H](CO)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767408 356696839 /nfs/dbraw/zinc/69/68/39/356696839.db2.gz QYZDYHGDUWILIG-QWHCGFSZSA-N 2 0 242.363 0.312 20 30 BCEDRP N#C[C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423204895 192625820 /nfs/dbraw/zinc/62/58/20/192625820.db2.gz OXNJTSYIRMFYDI-STQMWFEESA-N 2 0 236.363 0.564 20 30 BCEDRP C=CC[C@H](CO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584816 361473745 /nfs/dbraw/zinc/47/37/45/361473745.db2.gz URAAAOPXXPLHOX-QWHCGFSZSA-N 2 0 242.363 0.217 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000069730124 541386093 /nfs/dbraw/zinc/38/60/93/541386093.db2.gz HLNKNNCNYSFLMJ-UHFFFAOYSA-N 2 0 225.336 0.349 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840807 369312015 /nfs/dbraw/zinc/31/20/15/369312015.db2.gz FIMHDLIRHYVAFS-OUAUKWLOSA-N 2 0 225.336 0.204 20 30 BCEDRP CN(CCOCC[NH3+])Cc1ccncc1C#N ZINC000600739295 369561358 /nfs/dbraw/zinc/56/13/58/369561358.db2.gz AXZDUKINLXYNRR-UHFFFAOYSA-N 2 0 234.303 0.360 20 30 BCEDRP CC#CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717828 384355935 /nfs/dbraw/zinc/35/59/35/384355935.db2.gz NYHFEGMTSFEWJP-UHFFFAOYSA-N 2 0 223.364 0.579 20 30 BCEDRP C=CCC[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309018386 385372754 /nfs/dbraw/zinc/37/27/54/385372754.db2.gz VPNYXYQGTLYLGZ-RYUDHWBXSA-N 2 0 212.337 0.997 20 30 BCEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1ccccn1 ZINC000170907793 385455114 /nfs/dbraw/zinc/45/51/14/385455114.db2.gz NLNBCNIKMAKMFM-UHFFFAOYSA-N 2 0 233.319 0.904 20 30 BCEDRP C#CCNC(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262629094 533141341 /nfs/dbraw/zinc/14/13/41/533141341.db2.gz VGMLITHCRSQBFI-NSHDSACASA-N 2 0 234.347 0.269 20 30 BCEDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000266148469 386659832 /nfs/dbraw/zinc/65/98/32/386659832.db2.gz JLMIRILDEBBBHR-UHFFFAOYSA-N 2 0 249.314 0.698 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000424055791 387472424 /nfs/dbraw/zinc/47/24/24/387472424.db2.gz FLQQPTOGMOQVLJ-GHMZBOCLSA-N 2 0 238.335 0.347 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000424079658 387481055 /nfs/dbraw/zinc/48/10/55/387481055.db2.gz RMKJWYLNJDAHNR-GARJFASQSA-N 2 0 238.335 0.251 20 30 BCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424080693 387482351 /nfs/dbraw/zinc/48/23/51/387482351.db2.gz TYHPVDLZOIGTLL-WDEREUQCSA-N 2 0 240.351 0.497 20 30 BCEDRP C[C@](C[NH3+])(NC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424086040 387486449 /nfs/dbraw/zinc/48/64/49/387486449.db2.gz ZWDQNCYJGKFWHN-ZYHUDNBSSA-N 2 0 238.335 0.251 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC[NH3+])CC1 ZINC000430712644 387643149 /nfs/dbraw/zinc/64/31/49/387643149.db2.gz BGKMDAGJJTWNJG-UHFFFAOYSA-N 2 0 211.309 0.102 20 30 BCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143805 387748554 /nfs/dbraw/zinc/74/85/54/387748554.db2.gz GGNJUXNBDODNBN-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424156209 387822502 /nfs/dbraw/zinc/82/25/02/387822502.db2.gz OCAINOLQQPYEIU-LLVKDONJSA-N 2 0 238.335 0.218 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014363 387836653 /nfs/dbraw/zinc/83/66/53/387836653.db2.gz ICYYMQSFTJOKMV-TUAOUCFPSA-N 2 0 212.337 0.901 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014365 387836739 /nfs/dbraw/zinc/83/67/39/387836739.db2.gz ICYYMQSFTJOKMV-WOPDTQHZSA-N 2 0 212.337 0.901 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154234 387815188 /nfs/dbraw/zinc/81/51/88/387815188.db2.gz JHILJWKEXQULAP-OUAUKWLOSA-N 2 0 238.335 0.122 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424154664 387815925 /nfs/dbraw/zinc/81/59/25/387815925.db2.gz JZCHTRNBAQXGGD-AXFHLTTASA-N 2 0 238.335 0.394 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000424154669 387816270 /nfs/dbraw/zinc/81/62/70/387816270.db2.gz JZCHTRNBAQXGGD-MXWKQRLJSA-N 2 0 238.335 0.394 20 30 BCEDRP NC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195164812 387907905 /nfs/dbraw/zinc/90/79/05/387907905.db2.gz ZNTUDEJUSIAPNO-GFCCVEGCSA-N 2 0 232.331 0.782 20 30 BCEDRP C#CCNC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000491439812 388294598 /nfs/dbraw/zinc/29/45/98/388294598.db2.gz LYUGZHOARGBCFZ-AWEZNQCLSA-N 2 0 249.358 0.154 20 30 BCEDRP C#CC(C)(C)[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000491703803 388312928 /nfs/dbraw/zinc/31/29/28/388312928.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 0 242.363 0.269 20 30 BCEDRP CC[C@H](CC#N)NC[C@H](O)C[N@H+](C)CC ZINC000521063744 388561051 /nfs/dbraw/zinc/56/10/51/388561051.db2.gz YVOUOBZCDBZFPQ-MNOVXSKESA-N 2 0 213.325 0.581 20 30 BCEDRP CC[C@@H](CC#N)NC[C@@H](O)C[N@H+](C)CC ZINC000521063747 388561413 /nfs/dbraw/zinc/56/14/13/388561413.db2.gz YVOUOBZCDBZFPQ-WDEREUQCSA-N 2 0 213.325 0.581 20 30 BCEDRP C#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378314681 134245701 /nfs/dbraw/zinc/24/57/01/134245701.db2.gz HWBMJWOAMJNPEA-HUUCEWRRSA-N 2 0 249.402 0.968 20 30 BCEDRP CN1CC[NH+]=C1NCCC1CC[NH+](C)CC1 ZINC000261576652 135109852 /nfs/dbraw/zinc/10/98/52/135109852.db2.gz KMOQWJAEEXXIMD-UHFFFAOYSA-N 2 0 224.352 0.609 20 30 BCEDRP Cc1nccn1CCCNC(=[NH2+])N(C)C ZINC000264084117 135131917 /nfs/dbraw/zinc/13/19/17/135131917.db2.gz IMVSSZQYTFKHRZ-UHFFFAOYSA-N 2 0 209.297 0.458 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[NH+](CC)CC ZINC000264121295 135134514 /nfs/dbraw/zinc/13/45/14/135134514.db2.gz RDEZBVMSSRZHSA-UHFFFAOYSA-N 2 0 212.341 0.809 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000261534324 135166710 /nfs/dbraw/zinc/16/67/10/135166710.db2.gz MALDPCGPYMGPGY-UWVGGRQHSA-N 2 0 210.325 0.266 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562979 135205205 /nfs/dbraw/zinc/20/52/05/135205205.db2.gz WUDZZRFANDOYLR-SRVKXCTJSA-N 2 0 237.347 0.361 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[NH+]2CCC(C)CC2)N1 ZINC000261582074 135222486 /nfs/dbraw/zinc/22/24/86/135222486.db2.gz OBYJNFDPBFYRQH-LLVKDONJSA-N 2 0 224.352 0.656 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261907452 135261519 /nfs/dbraw/zinc/26/15/19/135261519.db2.gz VXLPKZKVWRXYKR-JTQLQIEISA-N 2 0 225.336 0.490 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261907453 135261554 /nfs/dbraw/zinc/26/15/54/135261554.db2.gz VXLPKZKVWRXYKR-SNVBAGLBSA-N 2 0 225.336 0.490 20 30 BCEDRP C[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261994370 135270492 /nfs/dbraw/zinc/27/04/92/135270492.db2.gz SBNJRNOFHSCAGH-BXKDBHETSA-N 2 0 236.363 0.797 20 30 BCEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCCC1 ZINC000262126383 135280920 /nfs/dbraw/zinc/28/09/20/135280920.db2.gz NBKYRDCDYXQZBK-LBPRGKRZSA-N 2 0 238.379 0.998 20 30 BCEDRP CNC(NC1CC([NH+]2CCCCC2)C1)=[NH+]C ZINC000262342812 135293781 /nfs/dbraw/zinc/29/37/81/135293781.db2.gz HEUDCBYHAIRREK-UHFFFAOYSA-N 2 0 224.352 0.798 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2=CC[N@H+](C)CC2)N1 ZINC000262481065 135301927 /nfs/dbraw/zinc/30/19/27/135301927.db2.gz CYJYYEWCWDJHPJ-SECBINFHSA-N 2 0 208.309 0.186 20 30 BCEDRP C[C@@H]1CCC[N@H+](CCNC2=[NH+]CCN2C)C1 ZINC000262648205 135311245 /nfs/dbraw/zinc/31/12/45/135311245.db2.gz JUOAKRDQHSKTAY-LLVKDONJSA-N 2 0 224.352 0.609 20 30 BCEDRP C[C@H]1CCC[N@H+](CCNC2=[NH+]CCN2C)C1 ZINC000262648207 135311277 /nfs/dbraw/zinc/31/12/77/135311277.db2.gz JUOAKRDQHSKTAY-NSHDSACASA-N 2 0 224.352 0.609 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CCOCC2)N1 ZINC000262668449 135312524 /nfs/dbraw/zinc/31/25/24/135312524.db2.gz PWWRFQUWWGLEKP-JTQLQIEISA-N 2 0 240.351 0.035 20 30 BCEDRP C[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCC(C)CC1 ZINC000262675371 135312752 /nfs/dbraw/zinc/31/27/52/135312752.db2.gz SYVOUMUSSXTSKL-LBPRGKRZSA-N 2 0 238.379 0.998 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](C3CC3)CC2)N1 ZINC000262690074 135313690 /nfs/dbraw/zinc/31/36/90/135313690.db2.gz ZYBPNLIZJPHJAD-JTQLQIEISA-N 2 0 236.363 0.798 20 30 BCEDRP C[N@H+]1CC=C(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000263165032 135336573 /nfs/dbraw/zinc/33/65/73/135336573.db2.gz PVNGILVNHICYDP-UHFFFAOYSA-N 2 0 236.363 0.953 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[C@H]2CCC[N@H+](C)C2)N1 ZINC000263170184 135336936 /nfs/dbraw/zinc/33/69/36/135336936.db2.gz RXJTYJQNMFJIQU-GHMZBOCLSA-N 2 0 224.352 0.656 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662415069 487604050 /nfs/dbraw/zinc/60/40/50/487604050.db2.gz MLTJJVYKFAGUIU-DGCLKSJQSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662394966 409696575 /nfs/dbraw/zinc/69/65/75/409696575.db2.gz AAZCZXIHBYVAJT-WCQYABFASA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH3+])C(C)C ZINC000165200153 166337024 /nfs/dbraw/zinc/33/70/24/166337024.db2.gz QLDWVBZRCNPLMM-LBPRGKRZSA-N 2 0 239.363 0.760 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000082475000 166365642 /nfs/dbraw/zinc/36/56/42/166365642.db2.gz SNJQTWFJCVLIPU-JTQLQIEISA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCCn1cc(CN2CC[C@H](C[NH3+])C2)nn1 ZINC000655937251 411159252 /nfs/dbraw/zinc/15/92/52/411159252.db2.gz XUSBBWMHVAHXNP-LLVKDONJSA-N 2 0 235.335 0.635 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CCC([NH3+])CC2)CCC[NH2+]1 ZINC000662387820 412139701 /nfs/dbraw/zinc/13/97/01/412139701.db2.gz LCFKIPBOXPYGOR-ZDUSSCGKSA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[C@]1(C(=O)N2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662395293 412144560 /nfs/dbraw/zinc/14/45/60/412144560.db2.gz DRXCVOKCOTVGBQ-CYBMUJFWSA-N 2 0 237.347 0.507 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662401309 412148516 /nfs/dbraw/zinc/14/85/16/412148516.db2.gz PUOQDCIDPDPMTR-CMPLNLGQSA-N 2 0 223.320 0.163 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662415068 412157611 /nfs/dbraw/zinc/15/76/11/412157611.db2.gz MLTJJVYKFAGUIU-AAEUAGOBSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000662417709 412160609 /nfs/dbraw/zinc/16/06/09/412160609.db2.gz JJBDJOIHWLNZLL-DGCLKSJQSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665275012 412218525 /nfs/dbraw/zinc/21/85/25/412218525.db2.gz ARXMVILDOLOWNM-QJPTWQEYSA-N 2 0 228.336 0.531 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000662765858 412295119 /nfs/dbraw/zinc/29/51/19/412295119.db2.gz CXKBHIOPPPHTNR-MWLCHTKSSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662773657 412298437 /nfs/dbraw/zinc/29/84/37/412298437.db2.gz JCYCKSTVLQKFAJ-MWLCHTKSSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000662785241 412302097 /nfs/dbraw/zinc/30/20/97/412302097.db2.gz UPEHDEKIHWKNCO-AAEUAGOBSA-N 2 0 239.363 0.928 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000572599068 322965488 /nfs/dbraw/zinc/96/54/88/322965488.db2.gz MLNPWZONIHBONZ-JTQLQIEISA-N 2 0 240.351 0.512 20 30 BCEDRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CCC#N)CC1 ZINC000563271143 323107166 /nfs/dbraw/zinc/10/71/66/323107166.db2.gz LXUBLYWKEDJTIB-CYBMUJFWSA-N 2 0 239.363 0.973 20 30 BCEDRP CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264076388 536305356 /nfs/dbraw/zinc/30/53/56/536305356.db2.gz FVIYBQHEHCFGRK-UHFFFAOYSA-N 2 0 220.320 0.782 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000066245511 534519280 /nfs/dbraw/zinc/51/92/80/534519280.db2.gz NNGZTJAVAQRVOO-UHFFFAOYSA-N 2 0 228.340 0.045 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000264323741 534842879 /nfs/dbraw/zinc/84/28/79/534842879.db2.gz YDRIOENITKTIBG-VIFPVBQESA-N 2 0 210.325 0.559 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262679387 535133013 /nfs/dbraw/zinc/13/30/13/535133013.db2.gz VLFMTWFCIQXAJU-VXGBXAGGSA-N 2 0 238.379 0.902 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066222 535597577 /nfs/dbraw/zinc/59/75/77/535597577.db2.gz OEKPPOGDSNGSLO-WDEREUQCSA-N 2 0 236.363 0.928 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854655204 588799464 /nfs/dbraw/zinc/79/94/64/588799464.db2.gz OTRMZXPAGNKKCV-NEPJUHHUSA-N 2 0 239.363 0.655 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC#N ZINC000849023230 582829925 /nfs/dbraw/zinc/82/99/25/582829925.db2.gz AANIFWQXWSLHQT-JTQLQIEISA-N 2 0 223.324 0.498 20 30 BCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852892982 583022307 /nfs/dbraw/zinc/02/23/07/583022307.db2.gz KNLCTTLYTSGEDK-WDEREUQCSA-N 2 0 237.347 0.231 20 30 BCEDRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852898216 583023185 /nfs/dbraw/zinc/02/31/85/583023185.db2.gz XFSCTJFEXRBVAR-WCQYABFASA-N 2 0 249.358 0.328 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153687 583112539 /nfs/dbraw/zinc/11/25/39/583112539.db2.gz SDAQARQHYWFNSV-SNVBAGLBSA-N 2 0 244.383 0.513 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000900695584 584339022 /nfs/dbraw/zinc/33/90/22/584339022.db2.gz RSEFEKPIFOGBLQ-GFCCVEGCSA-N 2 0 241.379 0.951 20 30 BCEDRP N#CCCN1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903475725 584776891 /nfs/dbraw/zinc/77/68/91/584776891.db2.gz BJVAYRMBNBEFAW-QWHCGFSZSA-N 2 0 236.363 0.645 20 30 BCEDRP C=CC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491081 584780858 /nfs/dbraw/zinc/78/08/58/584780858.db2.gz UTCGICBONPJASU-UMNHJUIQSA-N 2 0 224.304 0.385 20 30 BCEDRP C=CC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747243 584794801 /nfs/dbraw/zinc/79/48/01/584794801.db2.gz QKZZBXTUHCQFDV-NEPJUHHUSA-N 2 0 210.321 0.873 20 30 BCEDRP C=CC[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903905352 584821348 /nfs/dbraw/zinc/82/13/48/584821348.db2.gz CSLRFTACHKVJQC-GFCCVEGCSA-N 2 0 236.363 0.964 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000764493956 585466742 /nfs/dbraw/zinc/46/67/42/585466742.db2.gz LBIPOWTYFXCSHW-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000764504416 585467051 /nfs/dbraw/zinc/46/70/51/585467051.db2.gz BXCSSNJMFIUNGP-LLVKDONJSA-N 2 0 227.352 0.561 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC000823187610 587207638 /nfs/dbraw/zinc/20/76/38/587207638.db2.gz INDJSWSKLJOIQW-UHFFFAOYSA-N 2 0 237.347 0.154 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC000837239738 587860791 /nfs/dbraw/zinc/86/07/91/587860791.db2.gz XTOWWEMXYJOICO-UHFFFAOYSA-N 2 0 227.352 0.561 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003858 588431688 /nfs/dbraw/zinc/43/16/88/588431688.db2.gz KHROODVZFNARNW-GHMZBOCLSA-N 2 0 237.351 0.744 20 30 BCEDRP C[C@@H]1CC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004693 588432238 /nfs/dbraw/zinc/43/22/38/588432238.db2.gz WHGJKEYAAXKCDK-LLVKDONJSA-N 2 0 226.368 0.807 20 30 BCEDRP CN1CC[NH+]=C1NCCCC[N@H+](C)C1CC1 ZINC000849039713 588447192 /nfs/dbraw/zinc/44/71/92/588447192.db2.gz OVBHPTQPTUDDRV-UHFFFAOYSA-N 2 0 224.352 0.752 20 30 BCEDRP C[NH+]=C(NC[C@H]1C[C@@H]([NH+](C)C)C1)NC1CC1 ZINC000849048806 588451494 /nfs/dbraw/zinc/45/14/94/588451494.db2.gz LKPJNBYSVMMKPS-JGZJWPJOSA-N 2 0 224.352 0.654 20 30 BCEDRP CCNC(NC[C@@H]1CCC[N@H+](C)C1)=[NH+]CC ZINC000108638498 588479421 /nfs/dbraw/zinc/47/94/21/588479421.db2.gz GYUXDYHHSXJEKU-NSHDSACASA-N 2 0 226.368 0.903 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCC[NH2+]1 ZINC000852793411 588703270 /nfs/dbraw/zinc/70/32/70/588703270.db2.gz AHMAWWLYEGGSCZ-CYBMUJFWSA-N 2 0 249.358 0.248 20 30 BCEDRP CC(C)[C@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852798562 588703852 /nfs/dbraw/zinc/70/38/52/588703852.db2.gz LLCSKLXCGHIBNU-GFCCVEGCSA-N 2 0 237.347 0.089 20 30 BCEDRP C[NH2+]C[C@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852799958 588704358 /nfs/dbraw/zinc/70/43/58/588704358.db2.gz XUSVCLZEAXSALV-CYBMUJFWSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852876567 588710471 /nfs/dbraw/zinc/71/04/71/588710471.db2.gz LQEZALAYUGILSA-YPMHNXCESA-N 2 0 249.358 0.104 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503656 590204230 /nfs/dbraw/zinc/20/42/30/590204230.db2.gz BMPSTSQQTYVENG-HTQZYQBOSA-N 2 0 217.700 0.016 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000876507836 590204975 /nfs/dbraw/zinc/20/49/75/590204975.db2.gz ONGDJCXRPFPMLO-QMMMGPOBSA-N 2 0 219.716 0.182 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])CC(C)C ZINC000876532449 590210195 /nfs/dbraw/zinc/21/01/95/590210195.db2.gz HEUYEXGVWMGLKC-VHSXEESVSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000876532068 590210353 /nfs/dbraw/zinc/21/03/53/590210353.db2.gz AWZOAGYYBVOLIZ-JEZHCXPESA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876536404 590211204 /nfs/dbraw/zinc/21/12/04/590211204.db2.gz BZEPCVWGKWXEJZ-BDAKNGLRSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876536407 590211384 /nfs/dbraw/zinc/21/13/84/590211384.db2.gz BZEPCVWGKWXEJZ-RKDXNWHRSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000876728227 590233523 /nfs/dbraw/zinc/23/35/23/590233523.db2.gz YRNNGFBIBUVPAA-VHSXEESVSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000876728228 590233824 /nfs/dbraw/zinc/23/38/24/590233824.db2.gz YRNNGFBIBUVPAA-ZJUUUORDSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000876736021 590234261 /nfs/dbraw/zinc/23/42/61/590234261.db2.gz INSUECGQZXZPIV-SNVBAGLBSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[NH2+]C ZINC000876791410 590241226 /nfs/dbraw/zinc/24/12/26/590241226.db2.gz DMZYERGCEOUKCF-QMMMGPOBSA-N 2 0 219.716 0.134 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826004 590246404 /nfs/dbraw/zinc/24/64/04/590246404.db2.gz AXFZYWYUJAWOBR-VHSXEESVSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH+](C)C ZINC000876960842 590261429 /nfs/dbraw/zinc/26/14/29/590261429.db2.gz ODCNAGGJLJVCOF-VHSXEESVSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000876963931 590261828 /nfs/dbraw/zinc/26/18/28/590261828.db2.gz LLAPMHXYWLGREF-VIFPVBQESA-N 2 0 245.754 0.844 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000876977700 590263906 /nfs/dbraw/zinc/26/39/06/590263906.db2.gz BEVCYGJDGMJZIX-YUMQZZPRSA-N 2 0 219.716 0.180 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976994 590264103 /nfs/dbraw/zinc/26/41/03/590264103.db2.gz QKJVJOYYWOBUND-YUCVTWSNSA-N 2 0 243.738 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000877048819 590273820 /nfs/dbraw/zinc/27/38/20/590273820.db2.gz AHUQXFRJGKJDAV-GUBZILKMSA-N 2 0 245.754 0.713 20 30 BCEDRP C[C@H]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[NH2+]1 ZINC000877050900 590274814 /nfs/dbraw/zinc/27/48/14/590274814.db2.gz JHPJAWHJNJFJJE-WCQYABFASA-N 2 0 249.358 0.246 20 30 BCEDRP C[C@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[NH2+]1 ZINC000877050897 590274893 /nfs/dbraw/zinc/27/48/93/590274893.db2.gz JHPJAWHJNJFJJE-AAEUAGOBSA-N 2 0 249.358 0.246 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107732 590285816 /nfs/dbraw/zinc/28/58/16/590285816.db2.gz KSCFJGFMRAGURD-YUMQZZPRSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167987 590295415 /nfs/dbraw/zinc/29/54/15/590295415.db2.gz CBMVWTGUACGQJV-CIUDSAMLSA-N 2 0 229.711 0.029 20 30 BCEDRP C=CC[C@H](C(=O)OC)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877981917 590465010 /nfs/dbraw/zinc/46/50/10/590465010.db2.gz BZVRQDZZKPHXJX-GARJFASQSA-N 2 0 224.304 0.255 20 30 BCEDRP C#CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864879 590635116 /nfs/dbraw/zinc/63/51/16/590635116.db2.gz BXADALAZUVPVFM-UHFFFAOYSA-N 2 0 249.358 0.154 20 30 BCEDRP C=CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925702729 634378548 /nfs/dbraw/zinc/37/85/48/634378548.db2.gz AZJWBBHDNHALME-NWRZOEAASA-N 2 0 210.321 0.904 20 30 BCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000104172204 634566605 /nfs/dbraw/zinc/56/66/05/634566605.db2.gz SIJZQJKSZWNFKK-LLVKDONJSA-N 2 0 242.367 0.269 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001022291375 631463669 /nfs/dbraw/zinc/46/36/69/631463669.db2.gz YLZVOZKSKGDYEJ-XQQFMLRXSA-N 2 0 249.358 0.341 20 30 BCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314880 635649338 /nfs/dbraw/zinc/64/93/38/635649338.db2.gz FIDKUSQFTZWQMM-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646914 631740403 /nfs/dbraw/zinc/74/04/03/631740403.db2.gz YTFXSRBLZIJMPN-BETUJISGSA-N 2 0 249.358 0.198 20 30 BCEDRP CCNC(NC[C@H]1CC[N@H+](CC)C1)=[NH+]CC ZINC000155920666 632118694 /nfs/dbraw/zinc/11/86/94/632118694.db2.gz HOGGMDZACIWCMR-LLVKDONJSA-N 2 0 226.368 0.903 20 30 BCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028981170 635861020 /nfs/dbraw/zinc/86/10/20/635861020.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 2 0 249.358 0.009 20 30 BCEDRP CCNC(NCC(C)(C)[NH+](C)C)=[NH+]CC ZINC000066244982 632859581 /nfs/dbraw/zinc/85/95/81/632859581.db2.gz FXCKZNWALDMIMI-UHFFFAOYSA-N 2 0 214.357 0.902 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928561988 636108637 /nfs/dbraw/zinc/10/86/37/636108637.db2.gz BSXJGODEBXWBPD-CYBMUJFWSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCN(C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000328237311 633747736 /nfs/dbraw/zinc/74/77/36/633747736.db2.gz GHASGLKEDQHVEA-UHFFFAOYSA-N 2 0 237.391 0.873 20 30 BCEDRP CN(C(=[NH2+])NC[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000181464725 633917904 /nfs/dbraw/zinc/91/79/04/633917904.db2.gz SDOJEFBGYCGQKB-SECBINFHSA-N 2 0 210.325 0.347 20 30 BCEDRP N#CCN1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925608601 634143831 /nfs/dbraw/zinc/14/38/31/634143831.db2.gz FZHMGWMIKNSOKC-STQMWFEESA-N 2 0 248.374 0.834 20 30 BCEDRP COCCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000195522007 634365147 /nfs/dbraw/zinc/36/51/47/634365147.db2.gz KSGWCLZXDDONJN-UHFFFAOYSA-N 2 0 242.367 0.413 20 30 BCEDRP C=CC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000320275205 636190400 /nfs/dbraw/zinc/19/04/00/636190400.db2.gz MYBBYUOELGPEEH-LBPRGKRZSA-N 2 0 212.337 0.855 20 30 BCEDRP CCC[N@@H+]1CC[C@@H](CNC(NC)=[NH+]C)C1 ZINC000303258221 636306058 /nfs/dbraw/zinc/30/60/58/636306058.db2.gz KNRVZCJYLXMQKB-JTQLQIEISA-N 2 0 212.341 0.513 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000304038832 636320771 /nfs/dbraw/zinc/32/07/71/636320771.db2.gz IDLDXTZFPXFFJR-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP CCCC[N@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000304755828 636324300 /nfs/dbraw/zinc/32/43/00/636324300.db2.gz NCWNTVIGBDCKOX-NSHDSACASA-N 2 0 244.383 0.658 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905453036 637810381 /nfs/dbraw/zinc/81/03/81/637810381.db2.gz QEDDRIMSUFYITG-OLZOCXBDSA-N 2 0 242.363 0.360 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC1CC([NH+](C)C)C1 ZINC000908009533 638547805 /nfs/dbraw/zinc/54/78/05/638547805.db2.gz DXHDRBSLPAIPNF-UHFFFAOYSA-N 2 0 225.336 0.313 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624262 639684807 /nfs/dbraw/zinc/68/48/07/639684807.db2.gz QTCQALHFONCUNK-GHMZBOCLSA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628958 639690180 /nfs/dbraw/zinc/69/01/80/639690180.db2.gz QVTPMWWTHXYRLY-LLVKDONJSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656834 639711761 /nfs/dbraw/zinc/71/17/61/639711761.db2.gz WCQIAMCOCMAEQW-NSHDSACASA-N 2 0 225.336 0.492 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673599 639734994 /nfs/dbraw/zinc/73/49/94/639734994.db2.gz MTLCTIBZOPAINF-GHMZBOCLSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708067 639760001 /nfs/dbraw/zinc/76/00/01/639760001.db2.gz TZYGKYHJUCOISO-NEPJUHHUSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000911750977 639778065 /nfs/dbraw/zinc/77/80/65/639778065.db2.gz RNASZJVNXWMICP-JTQLQIEISA-N 2 0 213.325 0.396 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787735 639806231 /nfs/dbraw/zinc/80/62/31/639806231.db2.gz LHXZMQFJFUKQLA-GHMZBOCLSA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911819866 639836373 /nfs/dbraw/zinc/83/63/73/639836373.db2.gz QYGUEKSLWYYFQX-GFCCVEGCSA-N 2 0 237.347 0.233 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827136 639838847 /nfs/dbraw/zinc/83/88/47/639838847.db2.gz SQTVIMSSSDVVBE-WDEREUQCSA-N 2 0 227.352 0.770 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911817663 639850484 /nfs/dbraw/zinc/85/04/84/639850484.db2.gz IWTVMWWIJKWXOH-SRVKXCTJSA-N 2 0 239.363 0.866 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869329 639853179 /nfs/dbraw/zinc/85/31/79/639853179.db2.gz UZOAZEJTIZSTHN-NWDGAFQWSA-N 2 0 239.363 0.880 20 30 BCEDRP C#CCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229833375 640987006 /nfs/dbraw/zinc/98/70/06/640987006.db2.gz LCSZFVVBPSPTCF-LBPRGKRZSA-N 2 0 210.321 0.446 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305803922 641202088 /nfs/dbraw/zinc/20/20/88/641202088.db2.gz FPAHGUGTSNOPAM-SNVBAGLBSA-N 2 0 224.352 0.737 20 30 BCEDRP C#CCCN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031260946 641867297 /nfs/dbraw/zinc/86/72/97/641867297.db2.gz YXWOCRKQMWTYPU-GFCCVEGCSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000920416253 642491512 /nfs/dbraw/zinc/49/15/12/642491512.db2.gz ZQBDMTDDQUZSGJ-UHFFFAOYSA-N 2 0 235.375 0.723 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001019033316 643019918 /nfs/dbraw/zinc/01/99/18/643019918.db2.gz IULYDHJTUSVZME-NWDGAFQWSA-N 2 0 239.363 0.703 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019397133 643030212 /nfs/dbraw/zinc/03/02/12/643030212.db2.gz KLBARDGRUSLNQU-RYUDHWBXSA-N 2 0 237.347 0.150 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019383081 643030249 /nfs/dbraw/zinc/03/02/49/643030249.db2.gz VLQAHVLQZPJDFY-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001019397099 643031278 /nfs/dbraw/zinc/03/12/78/643031278.db2.gz IULYDHJTUSVZME-RYUDHWBXSA-N 2 0 239.363 0.703 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652427 643039636 /nfs/dbraw/zinc/03/96/36/643039636.db2.gz MGWOAJFGBHWMMY-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923286005 644320575 /nfs/dbraw/zinc/32/05/75/644320575.db2.gz KXMYHMPSHICNBP-NEPJUHHUSA-N 2 0 212.337 0.855 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923331713 644359679 /nfs/dbraw/zinc/35/96/79/644359679.db2.gz NSOPEIWRLDJERX-SRVKXCTJSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518256 644483284 /nfs/dbraw/zinc/48/32/84/644483284.db2.gz BWCZXLLBFHOFAJ-XQQFMLRXSA-N 2 0 249.358 0.315 20 30 BCEDRP C#CCN1CCC[C@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563995 644505155 /nfs/dbraw/zinc/50/51/55/644505155.db2.gz MODAZYJFYGDQQX-ZDUSSCGKSA-N 2 0 249.358 0.318 20 30 BCEDRP C#C[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000248532987 644686428 /nfs/dbraw/zinc/68/64/28/644686428.db2.gz IDZXVIBLFATDAW-GHMZBOCLSA-N 2 0 222.336 0.397 20 30 BCEDRP COCCNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303265103 644813017 /nfs/dbraw/zinc/81/30/17/644813017.db2.gz TZNDPLNQWNGSFZ-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303886115 644853965 /nfs/dbraw/zinc/85/39/65/644853965.db2.gz KBZSVQCEBOBFCS-MNOVXSKESA-N 2 0 242.367 0.267 20 30 BCEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000304745928 644928912 /nfs/dbraw/zinc/92/89/12/644928912.db2.gz FJMRKNJGWYYGNQ-NSHDSACASA-N 2 0 226.368 0.807 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000928647882 645852709 /nfs/dbraw/zinc/85/27/09/645852709.db2.gz AIFWQDYOWXCFAV-ZDUSSCGKSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046190823 710855454 /nfs/dbraw/zinc/85/54/54/710855454.db2.gz XIGXZEIFDIKNKO-JSGCOSHPSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792831 711735442 /nfs/dbraw/zinc/73/54/42/711735442.db2.gz XCDATRGGSRPGBM-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792828 711735555 /nfs/dbraw/zinc/73/55/55/711735555.db2.gz XCDATRGGSRPGBM-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP CNC(NC[C@H]1CCCC[N@H+](C)C1)=[NH+]C ZINC000700814011 712006871 /nfs/dbraw/zinc/00/68/71/712006871.db2.gz SSNXLVFYMAWEIP-SNVBAGLBSA-N 2 0 212.341 0.513 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000876795370 712629729 /nfs/dbraw/zinc/62/97/29/712629729.db2.gz OCFGHZGDJVTQHB-QMMMGPOBSA-N 2 0 231.727 0.454 20 30 BCEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000602524011 349576845 /nfs/dbraw/zinc/57/68/45/349576845.db2.gz JRBTZOQFAJFHEM-QWHCGFSZSA-N 2 0 239.363 0.973 20 30 BCEDRP C=CCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000066244955 343857761 /nfs/dbraw/zinc/85/77/61/343857761.db2.gz BTMRYMPXCSEMLA-UHFFFAOYSA-N 2 0 212.341 0.665 20 30 BCEDRP C#CCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363472911 344134735 /nfs/dbraw/zinc/13/47/35/344134735.db2.gz VYFVZODSZHCNRR-OAHLLOKOSA-N 2 0 249.402 0.969 20 30 BCEDRP CN1CCC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721261 344363036 /nfs/dbraw/zinc/36/30/36/344363036.db2.gz KPKPKZGJUHISJS-NWDGAFQWSA-N 2 0 237.347 0.725 20 30 BCEDRP C=CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000580327434 347150985 /nfs/dbraw/zinc/15/09/85/347150985.db2.gz LRZFRTBHVTZEGM-UTUOFQBUSA-N 2 0 237.347 0.442 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000594427977 348044623 /nfs/dbraw/zinc/04/46/23/348044623.db2.gz YQRJCQBYFXFLJY-MNOVXSKESA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424299 348051135 /nfs/dbraw/zinc/05/11/35/348051135.db2.gz AFKQHPIEWFESCQ-ZJUUUORDSA-N 2 0 226.324 0.203 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594425624 348051862 /nfs/dbraw/zinc/05/18/62/348051862.db2.gz LPFVYJVULBIMNH-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000594426367 348051909 /nfs/dbraw/zinc/05/19/09/348051909.db2.gz OPMMXQXXYXDNBC-NSHDSACASA-N 2 0 238.335 0.266 20 30 BCEDRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425682 348052338 /nfs/dbraw/zinc/05/23/38/348052338.db2.gz LXOBMNNUISJFQR-JTQLQIEISA-N 2 0 226.324 0.123 20 30 BCEDRP C[NH2+]CCCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594449965 348057558 /nfs/dbraw/zinc/05/75/58/348057558.db2.gz QAPLOCCGVQEPRU-NSHDSACASA-N 2 0 240.351 0.466 20 30 BCEDRP CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000598586686 348995939 /nfs/dbraw/zinc/99/59/39/348995939.db2.gz WPBADMCSOINVKT-GRYCIOLGSA-N 2 0 237.347 0.438 20 30 BCEDRP C=CC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638917423 353081299 /nfs/dbraw/zinc/08/12/99/353081299.db2.gz QCDATSSGDKPEEK-GMXVVIOVSA-N 2 0 235.331 0.257 20 30 BCEDRP C=CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070593286 353259866 /nfs/dbraw/zinc/25/98/66/353259866.db2.gz AIRCOYGPONSLRP-LLVKDONJSA-N 2 0 225.336 0.349 20 30 BCEDRP C=CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070593285 353259969 /nfs/dbraw/zinc/25/99/69/353259969.db2.gz AIRCOYGPONSLRP-NSHDSACASA-N 2 0 225.336 0.349 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192111189 353542705 /nfs/dbraw/zinc/54/27/05/353542705.db2.gz DYGFJEVTXSWUFO-GHMZBOCLSA-N 2 0 239.363 0.736 20 30 BCEDRP C[NH+]=C(NC1CC[NH+](C(C)C)CC1)N(C)C ZINC000114090649 134161526 /nfs/dbraw/zinc/16/15/26/134161526.db2.gz HHYSTGXOKXNDGS-UHFFFAOYSA-N 2 0 226.368 0.996 20 30 BCEDRP C=CCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000357223303 134182637 /nfs/dbraw/zinc/18/26/37/134182637.db2.gz ISEIPPRDBHXDIN-UHFFFAOYSA-N 2 0 239.363 0.834 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246432469 359084333 /nfs/dbraw/zinc/08/43/33/359084333.db2.gz VNLIFQQOXLTMPQ-RYUDHWBXSA-N 2 0 239.363 0.561 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308942840 491140859 /nfs/dbraw/zinc/14/08/59/491140859.db2.gz QYWYOSKQPSBOHG-SRVKXCTJSA-N 2 0 210.321 0.465 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942841 491140838 /nfs/dbraw/zinc/14/08/38/491140838.db2.gz QYWYOSKQPSBOHG-TUAOUCFPSA-N 2 0 210.321 0.465 20 30 BCEDRP C=CC[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629547804 361431676 /nfs/dbraw/zinc/43/16/76/361431676.db2.gz GAIHYFRGYDTSHR-CYBMUJFWSA-N 2 0 223.364 0.790 20 30 BCEDRP CNC(NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)=[NH+]C ZINC000360454980 366923642 /nfs/dbraw/zinc/92/36/42/366923642.db2.gz NZFPEAPEFQMLOL-FGWVZKOKSA-N 2 0 224.352 0.654 20 30 BCEDRP C=CCNC(=O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180033471 541507044 /nfs/dbraw/zinc/50/70/44/541507044.db2.gz ZASWJWORFLACRV-GHMZBOCLSA-N 2 0 225.336 0.361 20 30 BCEDRP C#CCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849811 384176652 /nfs/dbraw/zinc/17/66/52/384176652.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)CC ZINC000491384823 384653993 /nfs/dbraw/zinc/65/39/93/384653993.db2.gz PTDFHYXFMVGAOI-LLVKDONJSA-N 2 0 224.352 0.854 20 30 BCEDRP C=CCC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000320613228 385408476 /nfs/dbraw/zinc/40/84/76/385408476.db2.gz HAYYIQFLONCWEG-CHWSQXEVSA-N 2 0 242.363 0.360 20 30 BCEDRP CN(C)C(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000170912931 385455946 /nfs/dbraw/zinc/45/59/46/385455946.db2.gz CLCVQWXSESPGDS-UHFFFAOYSA-N 2 0 246.358 0.921 20 30 BCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594449415 385601398 /nfs/dbraw/zinc/60/13/98/385601398.db2.gz IWRZHLUBOBNIHO-AXFHLTTASA-N 2 0 240.351 0.640 20 30 BCEDRP C#CCNC(=[NH+]C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262440380 533141711 /nfs/dbraw/zinc/14/17/11/533141711.db2.gz HKEXFTPSTZYAFL-CYBMUJFWSA-N 2 0 248.374 0.755 20 30 BCEDRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])CCCC#N ZINC000424080919 387483218 /nfs/dbraw/zinc/48/32/18/387483218.db2.gz UIPGDXGPFXWEPI-JTQLQIEISA-N 2 0 240.351 0.451 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431016248 387669683 /nfs/dbraw/zinc/66/96/83/387669683.db2.gz ZFWXTOXQIWABRC-UHFFFAOYSA-N 2 0 237.347 0.364 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154237 387815273 /nfs/dbraw/zinc/81/52/73/387815273.db2.gz JHILJWKEXQULAP-VWYCJHECSA-N 2 0 238.335 0.122 20 30 BCEDRP NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195164827 387907616 /nfs/dbraw/zinc/90/76/16/387907616.db2.gz ZNTUDEJUSIAPNO-LBPRGKRZSA-N 2 0 232.331 0.782 20 30 BCEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423204892 387991837 /nfs/dbraw/zinc/99/18/37/387991837.db2.gz OXNJTSYIRMFYDI-OLZOCXBDSA-N 2 0 236.363 0.564 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)NCc2ncc[nH]2)CC1 ZINC000490657659 388246400 /nfs/dbraw/zinc/24/64/00/388246400.db2.gz YKNUVTWPIXVEFD-UHFFFAOYSA-N 2 0 246.314 0.371 20 30 BCEDRP C#CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000491385917 388290829 /nfs/dbraw/zinc/29/08/29/388290829.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 0 240.347 0.023 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCCC ZINC000491664256 388309130 /nfs/dbraw/zinc/30/91/30/388309130.db2.gz OBYYHZDFPQDLGC-UHFFFAOYSA-N 2 0 224.352 0.856 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000491748004 388317277 /nfs/dbraw/zinc/31/72/77/388317277.db2.gz XGPONDZYGAEASX-UHFFFAOYSA-N 2 0 236.363 0.952 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000236602221 388380485 /nfs/dbraw/zinc/38/04/85/388380485.db2.gz VXYNIHSQKHVDRD-UHFFFAOYSA-N 2 0 239.363 0.738 20 30 BCEDRP N#CCC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000516771069 388517442 /nfs/dbraw/zinc/51/74/42/388517442.db2.gz YGQHSYQZXFQDMC-LBPRGKRZSA-N 2 0 225.336 0.727 20 30 BCEDRP C#CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126491992 388696038 /nfs/dbraw/zinc/69/60/38/388696038.db2.gz HOMHBUXVXPPFLG-UHFFFAOYSA-N 2 0 223.364 0.577 20 30 BCEDRP C#C[C@@H](CC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262546617 533236429 /nfs/dbraw/zinc/23/64/29/533236429.db2.gz STOTUXZIRRWNMM-RYUDHWBXSA-N 2 0 236.363 0.787 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261996060 533511293 /nfs/dbraw/zinc/51/12/93/533511293.db2.gz NUHSJYHHIKHMLZ-NSHDSACASA-N 2 0 236.363 0.951 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368917794 134220592 /nfs/dbraw/zinc/22/05/92/134220592.db2.gz SJDWFSHZOIVOBE-WDEREUQCSA-N 2 0 238.335 0.150 20 30 BCEDRP CN(C)C(=[NH+]CC[N@H+](C)C1CC1)N(C)C ZINC000262018706 135114119 /nfs/dbraw/zinc/11/41/19/135114119.db2.gz XCOMUBPXJVIMNL-UHFFFAOYSA-N 2 0 212.341 0.560 20 30 BCEDRP CN(C(=[NH2+])NCC1=CC[N@H+](C)CC1)C1CC1 ZINC000262269499 135117013 /nfs/dbraw/zinc/11/70/13/135117013.db2.gz STIIFZQKWNCZJK-UHFFFAOYSA-N 2 0 222.336 0.657 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000264058047 135130435 /nfs/dbraw/zinc/13/04/35/135130435.db2.gz BUGVWXMSQGHNSD-UHFFFAOYSA-N 2 0 224.352 0.953 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CCC2)N1 ZINC000261536950 135173157 /nfs/dbraw/zinc/17/31/57/135173157.db2.gz UHWOHDKVANKJIQ-VIFPVBQESA-N 2 0 210.325 0.408 20 30 BCEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+](C)C1CC1 ZINC000261538357 135175526 /nfs/dbraw/zinc/17/55/26/135175526.db2.gz XVBYDHJRKHJZES-RKDXNWHRSA-N 2 0 210.325 0.406 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](C)CC2)N1 ZINC000261538384 135176470 /nfs/dbraw/zinc/17/64/70/135176470.db2.gz XXLSMNAYQMFCEA-VIFPVBQESA-N 2 0 210.325 0.266 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2(C)CC[NH+](C)CC2)N1 ZINC000261561791 135202477 /nfs/dbraw/zinc/20/24/77/135202477.db2.gz AVIYIGVFZBEGQR-SNVBAGLBSA-N 2 0 224.352 0.656 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163838062 135208942 /nfs/dbraw/zinc/20/89/42/135208942.db2.gz YQXARWAGKVBMHP-WOPDTQHZSA-N 2 0 239.363 0.594 20 30 BCEDRP CC(C)[NH+](CCNC1=[NH+]CCN1C)C(C)C ZINC000261573101 135215267 /nfs/dbraw/zinc/21/52/67/135215267.db2.gz INPAUFZRKGMRPO-UHFFFAOYSA-N 2 0 226.368 0.996 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CCCC2)N1 ZINC000261583543 135224376 /nfs/dbraw/zinc/22/43/76/135224376.db2.gz PCSACWAPHGOSSM-SNVBAGLBSA-N 2 0 224.352 0.798 20 30 BCEDRP CC[N@@H+]1CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262000464 135271354 /nfs/dbraw/zinc/27/13/54/135271354.db2.gz PLKKKJJOYVWYAO-NSHDSACASA-N 2 0 226.368 0.807 20 30 BCEDRP C[C@@H]1C[NH+]=C(NC[C@@H](C2CC2)[NH+](C)C)N1 ZINC000262640431 135309905 /nfs/dbraw/zinc/30/99/05/135309905.db2.gz HPAMUWPXJUEFOC-SCZZXKLOSA-N 2 0 210.325 0.264 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262640576 135310061 /nfs/dbraw/zinc/31/00/61/135310061.db2.gz HRBGZFCJSIUQPC-NSHDSACASA-N 2 0 224.352 0.752 20 30 BCEDRP C[C@@H]1C[NH+]=C(NC[C@H](C2CC2)[NH+](C)C)N1 ZINC000262640428 135310362 /nfs/dbraw/zinc/31/03/62/135310362.db2.gz HPAMUWPXJUEFOC-PSASIEDQSA-N 2 0 210.325 0.264 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CCOCC2)N1 ZINC000262668450 135312512 /nfs/dbraw/zinc/31/25/12/135312512.db2.gz PWWRFQUWWGLEKP-SNVBAGLBSA-N 2 0 240.351 0.035 20 30 BCEDRP CC[N@H+](CCNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000262682491 135312828 /nfs/dbraw/zinc/31/28/28/135312828.db2.gz WUVRYLCUOTWTGY-SNVBAGLBSA-N 2 0 212.341 0.654 20 30 BCEDRP COCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262681248 135313189 /nfs/dbraw/zinc/31/31/89/135313189.db2.gz WFGYJLFMAUIDOG-QWRGUYRKSA-N 2 0 240.351 0.035 20 30 BCEDRP CN1CC[NH+]=C1NCC1=CC[N@H+](C)CC1 ZINC000262687388 135313587 /nfs/dbraw/zinc/31/35/87/135313587.db2.gz YXEMMEWEXRDVBQ-UHFFFAOYSA-N 2 0 208.309 0.139 20 30 BCEDRP C[N@H+]1CC=C(CNC(=[NH2+])NC2CC2)CC1 ZINC000263155561 135336624 /nfs/dbraw/zinc/33/66/24/135336624.db2.gz MZDRRBZWYCQVJJ-UHFFFAOYSA-N 2 0 208.309 0.315 20 30 BCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104140788 166387256 /nfs/dbraw/zinc/38/72/56/166387256.db2.gz MHAXIDACOYIMPB-QWRGUYRKSA-N 2 0 239.363 0.736 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662449361 412179395 /nfs/dbraw/zinc/17/93/95/412179395.db2.gz ZIYFYFWYYASPAS-GFCCVEGCSA-N 2 0 239.363 0.751 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662394963 412144639 /nfs/dbraw/zinc/14/46/39/412144639.db2.gz AAZCZXIHBYVAJT-AAEUAGOBSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[NH2+]C)CCC[NH2+]1 ZINC000662409483 412154540 /nfs/dbraw/zinc/15/45/40/412154540.db2.gz MVCRAEVWJGUKMS-LLVKDONJSA-N 2 0 211.309 0.020 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)CC[NH3+])CCC[NH2+]1 ZINC000662815980 412308369 /nfs/dbraw/zinc/30/83/69/412308369.db2.gz VZGJQCHJQUVFDT-LLVKDONJSA-N 2 0 211.309 0.102 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[NH2+]CCC)CCC[NH2+]1 ZINC000662761524 412293979 /nfs/dbraw/zinc/29/39/79/412293979.db2.gz VMJDXPJOHINVKO-CYBMUJFWSA-N 2 0 239.363 0.801 20 30 BCEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)C[NH+](C)C ZINC000849030677 588442788 /nfs/dbraw/zinc/44/27/88/588442788.db2.gz RVVCLQFPQFLWRQ-JTQLQIEISA-N 2 0 214.357 0.663 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573234927 326436994 /nfs/dbraw/zinc/43/69/94/326436994.db2.gz VYDWWUZWQUJRLG-LLVKDONJSA-N 2 0 225.336 0.363 20 30 BCEDRP C=C(CC)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685747 491090541 /nfs/dbraw/zinc/09/05/41/491090541.db2.gz LDJFFYLFKSOLBI-UHFFFAOYSA-N 2 0 239.363 0.658 20 30 BCEDRP C=CCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000262793965 534844249 /nfs/dbraw/zinc/84/42/49/534844249.db2.gz OWGAFTUGJIDTRS-UHFFFAOYSA-N 2 0 236.363 0.951 20 30 BCEDRP C#C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000491670983 527310811 /nfs/dbraw/zinc/31/08/11/527310811.db2.gz WBOSCDDDURRINQ-FRRDWIJNSA-N 2 0 222.332 0.709 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262675359 535126696 /nfs/dbraw/zinc/12/66/96/535126696.db2.gz SYIFDZXEGPVVKB-LBPRGKRZSA-N 2 0 238.379 0.855 20 30 BCEDRP CCC[N@H+](CC)CCNC1=[NH+]C[C@H](C)N1 ZINC000261534078 535297375 /nfs/dbraw/zinc/29/73/75/535297375.db2.gz LSLMRYRRTCUIFF-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP CC[NH+]1CCC(CCNC2=[NH+]CCN2C)CC1 ZINC000262685099 535444025 /nfs/dbraw/zinc/44/40/25/535444025.db2.gz YCFHHEATZRMRLV-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP CN1CCC[NH+]=C1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000263133647 536362250 /nfs/dbraw/zinc/36/22/50/536362250.db2.gz NIVZQQVOBWPSFI-LBPRGKRZSA-N 2 0 238.379 0.999 20 30 BCEDRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])N2CCC2)C1 ZINC000263130303 536382351 /nfs/dbraw/zinc/38/23/51/536382351.db2.gz NAIQIAOWDRZTEH-LLVKDONJSA-N 2 0 224.352 0.739 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000491633224 566452039 /nfs/dbraw/zinc/45/20/39/566452039.db2.gz POYOTBZVQUOEDC-UHFFFAOYSA-N 2 0 222.336 0.560 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854655207 588799503 /nfs/dbraw/zinc/79/95/03/588799503.db2.gz OTRMZXPAGNKKCV-VXGBXAGGSA-N 2 0 239.363 0.655 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)Cc1ncc[nH]1 ZINC000854664534 588800040 /nfs/dbraw/zinc/80/00/40/588800040.db2.gz WESKBBZZCFGTPU-UHFFFAOYSA-N 2 0 234.303 0.024 20 30 BCEDRP C=CCNC(=[NH2+])NCCOCC[NH+](CC)CC ZINC000849018186 582827796 /nfs/dbraw/zinc/82/77/96/582827796.db2.gz FPVBILFDUBYKJN-UHFFFAOYSA-N 2 0 242.367 0.645 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856489350 588874073 /nfs/dbraw/zinc/87/40/73/588874073.db2.gz MNSQQTHULNFWNE-LBPRGKRZSA-N 2 0 239.363 0.561 20 30 BCEDRP C#CC[N@H+](C)CCCNc1cc[nH+]cc1CO ZINC000893989558 583270588 /nfs/dbraw/zinc/27/05/88/583270588.db2.gz ZBBMRZINNHRVRU-UHFFFAOYSA-N 2 0 233.315 0.363 20 30 BCEDRP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2CO)C1 ZINC000895200251 583623949 /nfs/dbraw/zinc/62/39/49/583623949.db2.gz FGIZSHBGCYXFEF-ZDUSSCGKSA-N 2 0 245.326 0.505 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000900163463 584281418 /nfs/dbraw/zinc/28/14/18/584281418.db2.gz QLHRWXKYUBGMRZ-LLVKDONJSA-N 2 0 227.352 0.561 20 30 BCEDRP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342716 584867138 /nfs/dbraw/zinc/86/71/38/584867138.db2.gz OGEFCZJSBHWDFH-GRYCIOLGSA-N 2 0 237.347 0.442 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000753029350 585252441 /nfs/dbraw/zinc/25/24/41/585252441.db2.gz NAFAWIXKFFGAEE-LBPRGKRZSA-N 2 0 241.379 0.949 20 30 BCEDRP C[C@H]1CNC(NN=C2CCC[C@H]([NH+](C)C)C2)=[NH+]1 ZINC000788438010 585740768 /nfs/dbraw/zinc/74/07/68/585740768.db2.gz FMNGXSNBPVIXGJ-ONGXEEELSA-N 2 0 237.351 0.784 20 30 BCEDRP CC[N@@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779793851 585764114 /nfs/dbraw/zinc/76/41/14/585764114.db2.gz BFCMCDNVPRYUOY-NXEZZACHSA-N 2 0 237.351 0.641 20 30 BCEDRP CC[N@@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779793853 585764121 /nfs/dbraw/zinc/76/41/21/585764121.db2.gz BFCMCDNVPRYUOY-UWVGGRQHSA-N 2 0 237.351 0.641 20 30 BCEDRP CC[N@@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779793857 585764148 /nfs/dbraw/zinc/76/41/48/585764148.db2.gz BFCMCDNVPRYUOY-ZJUUUORDSA-N 2 0 237.351 0.641 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000816832006 586767094 /nfs/dbraw/zinc/76/70/94/586767094.db2.gz MPVSDEYVCLLRCP-JTQLQIEISA-N 2 0 227.352 0.418 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848992572 588427810 /nfs/dbraw/zinc/42/78/10/588427810.db2.gz JSTIEPLRXONIAV-JTQLQIEISA-N 2 0 224.352 0.656 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003859 588431840 /nfs/dbraw/zinc/43/18/40/588431840.db2.gz KHROODVZFNARNW-MNOVXSKESA-N 2 0 237.351 0.744 20 30 BCEDRP CC[NH+](CC)CCOCCNC(NC)=[NH+]C ZINC000849018356 588437825 /nfs/dbraw/zinc/43/78/25/588437825.db2.gz MWJHKBMWBGHCTI-UHFFFAOYSA-N 2 0 230.356 0.140 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026098 588440787 /nfs/dbraw/zinc/44/07/87/588440787.db2.gz VHMMMPIBWJGPHZ-LLVKDONJSA-N 2 0 249.362 0.888 20 30 BCEDRP C[NH+]=C(NC[C@@H](C)C[NH+](C)C)NC1CC1 ZINC000849030281 588442208 /nfs/dbraw/zinc/44/22/08/588442208.db2.gz IEQLWGCDKLALBA-SECBINFHSA-N 2 0 212.341 0.512 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048968 588451399 /nfs/dbraw/zinc/45/13/99/588451399.db2.gz KDFGKQMIUAPBEJ-AOOOYVTPSA-N 2 0 210.325 0.627 20 30 BCEDRP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878108 588710340 /nfs/dbraw/zinc/71/03/40/588710340.db2.gz IASQJYBNGYWRLM-WCQYABFASA-N 2 0 249.358 0.246 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[NH2+]CC1 ZINC000852879516 588710694 /nfs/dbraw/zinc/71/06/94/588710694.db2.gz WJSFBWAYEILVPZ-ZDUSSCGKSA-N 2 0 249.358 0.248 20 30 BCEDRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852882938 588711311 /nfs/dbraw/zinc/71/13/11/588711311.db2.gz SXYVUYIYPJCIPL-CHWSQXEVSA-N 2 0 249.358 0.233 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864465766 589370760 /nfs/dbraw/zinc/37/07/60/589370760.db2.gz BUPUEVYVXJFCID-QWRGUYRKSA-N 2 0 222.336 0.464 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000876502724 590201407 /nfs/dbraw/zinc/20/14/07/590201407.db2.gz LLUOQQKSYIMCAD-VIFPVBQESA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508097 590204998 /nfs/dbraw/zinc/20/49/98/590204998.db2.gz IIWCSRALKPQOML-IUCAKERBSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515816 590206401 /nfs/dbraw/zinc/20/64/01/590206401.db2.gz XZGIMEHQPJGCRH-UWVGGRQHSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516535 590206504 /nfs/dbraw/zinc/20/65/04/590206504.db2.gz BMPSTSQQTYVENG-JGVFFNPUSA-N 2 0 217.700 0.016 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525661 590208622 /nfs/dbraw/zinc/20/86/22/590208622.db2.gz MSGFNULSZXRXBH-ZJUUUORDSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534095 590210834 /nfs/dbraw/zinc/21/08/34/590210834.db2.gz OEXBRLHHUPIMIL-DTWKUNHWSA-N 2 0 233.743 0.556 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000876538304 590211916 /nfs/dbraw/zinc/21/19/16/590211916.db2.gz GSPXQZREUPSHJI-SSDOTTSWSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000876733630 590232825 /nfs/dbraw/zinc/23/28/25/590232825.db2.gz CYFSORWFUUVVHG-ZJUUUORDSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000876707634 590232974 /nfs/dbraw/zinc/23/29/74/590232974.db2.gz MECSRNFLFOJQQA-VIFPVBQESA-N 2 0 233.743 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000876735133 590233998 /nfs/dbraw/zinc/23/39/98/590233998.db2.gz LBDSZBALJFMBMI-IUCAKERBSA-N 2 0 233.743 0.523 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000876738531 590235187 /nfs/dbraw/zinc/23/51/87/590235187.db2.gz GFCZOEXBMDGNSR-VHSXEESVSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000876788241 590239149 /nfs/dbraw/zinc/23/91/49/590239149.db2.gz YCBXQQPEEQIMGX-XPUUQOCRSA-N 2 0 219.716 0.167 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000876794914 590239736 /nfs/dbraw/zinc/23/97/36/590239736.db2.gz BVQBSFSDFDZRRX-GUBZILKMSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792256 590242112 /nfs/dbraw/zinc/24/21/12/590242112.db2.gz VAHVVYCWPMLJEL-IUCAKERBSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000876806217 590242515 /nfs/dbraw/zinc/24/25/15/590242515.db2.gz LOGFSNGOHHTEOM-SNVBAGLBSA-N 2 0 245.754 0.620 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829016 590246687 /nfs/dbraw/zinc/24/66/87/590246687.db2.gz NKXHPBVJLFCKHN-GUBZILKMSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000876835523 590247856 /nfs/dbraw/zinc/24/78/56/590247856.db2.gz XJTVHLSAOIVEOJ-BBBLOLIVSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836860 590248200 /nfs/dbraw/zinc/24/82/00/590248200.db2.gz CADDROACZHEISX-AEJSXWLSSA-N 2 0 243.738 0.134 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836862 590248519 /nfs/dbraw/zinc/24/85/19/590248519.db2.gz CADDROACZHEISX-KXUCPTDWSA-N 2 0 243.738 0.134 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876852713 590249334 /nfs/dbraw/zinc/24/93/34/590249334.db2.gz WMLAJGROXOWNQB-CIUDSAMLSA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000876914507 590256322 /nfs/dbraw/zinc/25/63/22/590256322.db2.gz DZDDSWAPFQCRLG-BWVDBABLSA-N 2 0 231.727 0.262 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933801 590258800 /nfs/dbraw/zinc/25/88/00/590258800.db2.gz ZPEXBVNKRBXJQG-OPRDCNLKSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000876949174 590260080 /nfs/dbraw/zinc/26/00/80/590260080.db2.gz ZUMRURHAQXPXMV-VIFPVBQESA-N 2 0 245.754 0.702 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957771 590260875 /nfs/dbraw/zinc/26/08/75/590260875.db2.gz GJOQSCULAPBQFQ-QMMMGPOBSA-N 2 0 233.743 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000876960844 590261274 /nfs/dbraw/zinc/26/12/74/590261274.db2.gz ODCNAGGJLJVCOF-ZJUUUORDSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC[NH3+] ZINC000877006340 590268308 /nfs/dbraw/zinc/26/83/08/590268308.db2.gz SJFGCNVJCXMATO-MRVPVSSYSA-N 2 0 219.716 0.264 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167988 590295453 /nfs/dbraw/zinc/29/54/53/590295453.db2.gz CBMVWTGUACGQJV-XHNCKOQMSA-N 2 0 229.711 0.029 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293347 590307847 /nfs/dbraw/zinc/30/78/47/590307847.db2.gz MIKPKFCZNOHYTP-OPRDCNLKSA-N 2 0 245.754 0.842 20 30 BCEDRP N#CC1(C[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000885960573 592116278 /nfs/dbraw/zinc/11/62/78/592116278.db2.gz NDZIRYNKMVCKJQ-XQQFMLRXSA-N 2 0 249.358 0.582 20 30 BCEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000104153644 592602012 /nfs/dbraw/zinc/60/20/12/592602012.db2.gz DSSRKWSSFDOMSL-UHFFFAOYSA-N 2 0 242.367 0.221 20 30 BCEDRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000104172178 634567784 /nfs/dbraw/zinc/56/77/84/634567784.db2.gz DDVMUHMNQTWYRK-JTQLQIEISA-N 2 0 212.341 0.643 20 30 BCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447191 635675939 /nfs/dbraw/zinc/67/59/39/635675939.db2.gz NLWKSMIHOSNHAD-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001022710933 631804578 /nfs/dbraw/zinc/80/45/78/631804578.db2.gz PQBJXZFCUSSRID-UPJWGTAASA-N 2 0 249.358 0.341 20 30 BCEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157364435 632428702 /nfs/dbraw/zinc/42/87/02/632428702.db2.gz CCWDSJSIGIRUBI-NSHDSACASA-N 2 0 226.368 0.889 20 30 BCEDRP CCNC(NCC1CC[NH+](C)CC1)=[NH+]CC ZINC000066245834 632861629 /nfs/dbraw/zinc/86/16/29/632861629.db2.gz LUXATFGDTAUTEY-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP C[NH+]1CCC(CCNC(=[NH2+])NC2CC2)CC1 ZINC000161536638 633007825 /nfs/dbraw/zinc/00/78/25/633007825.db2.gz NJKCSGAMICSNBG-UHFFFAOYSA-N 2 0 224.352 0.785 20 30 BCEDRP CC(C)[NH+](CCNC(=[NH2+])N(C)C)C(C)C ZINC000170905682 633177119 /nfs/dbraw/zinc/17/71/19/633177119.db2.gz PNNAEOTVGITURW-UHFFFAOYSA-N 2 0 214.357 0.982 20 30 BCEDRP C[NH+]1CCC(C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000895109854 636059977 /nfs/dbraw/zinc/05/99/77/636059977.db2.gz XJDBEIVXESIFOZ-CYBMUJFWSA-N 2 0 237.347 0.679 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000262163501 636107984 /nfs/dbraw/zinc/10/79/84/636107984.db2.gz TYIRAULDEXFKAF-NSHDSACASA-N 2 0 224.352 0.928 20 30 BCEDRP CN(C(=[NH2+])NCC[NH+]1CCCC1)C1CC1 ZINC000181460549 633916058 /nfs/dbraw/zinc/91/60/58/633916058.db2.gz DDRYIDPQMIPWIT-UHFFFAOYSA-N 2 0 210.325 0.491 20 30 BCEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000194684491 634329469 /nfs/dbraw/zinc/32/94/69/634329469.db2.gz XASJPWGERLNUKX-VHSXEESVSA-N 2 0 212.341 0.641 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397267 635220000 /nfs/dbraw/zinc/22/00/00/635220000.db2.gz ONRANPUICFKAAN-OLZOCXBDSA-N 2 0 249.358 0.104 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911620765 639683804 /nfs/dbraw/zinc/68/38/04/639683804.db2.gz TXPRKRGYZNLMJY-LLVKDONJSA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656439 639713240 /nfs/dbraw/zinc/71/32/40/639713240.db2.gz NKICNIIQLBIMMJ-WDEREUQCSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713969 639739480 /nfs/dbraw/zinc/73/94/80/639739480.db2.gz NBVCXZXSSLONHK-NWDGAFQWSA-N 2 0 239.363 0.928 20 30 BCEDRP C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812894 /nfs/dbraw/zinc/81/28/94/639812894.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 0 237.347 0.679 20 30 BCEDRP C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813017 /nfs/dbraw/zinc/81/30/17/639813017.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 0 237.347 0.679 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827133 639839882 /nfs/dbraw/zinc/83/98/82/639839882.db2.gz SQTVIMSSSDVVBE-GHMZBOCLSA-N 2 0 227.352 0.770 20 30 BCEDRP C#CC[NH2+]CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911832997 639843807 /nfs/dbraw/zinc/84/38/07/639843807.db2.gz XTBDGINIPIFZHS-GFCCVEGCSA-N 2 0 225.336 0.089 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834825 639845967 /nfs/dbraw/zinc/84/59/67/639845967.db2.gz RXIQTOKYXUFYIJ-GHMZBOCLSA-N 2 0 225.336 0.524 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911846486 639856523 /nfs/dbraw/zinc/85/65/23/639856523.db2.gz HGPQKCGQVUTGAF-NSHDSACASA-N 2 0 239.363 0.880 20 30 BCEDRP CC[N@H+](CC(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913519876 640382333 /nfs/dbraw/zinc/38/23/33/640382333.db2.gz SEFBKIGUURZENG-UHFFFAOYSA-N 2 0 237.347 0.152 20 30 BCEDRP C#CCSCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000231947138 641220373 /nfs/dbraw/zinc/22/03/73/641220373.db2.gz PAHLNWININMXEF-GFCCVEGCSA-N 2 0 242.388 0.399 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969099661 642823804 /nfs/dbraw/zinc/82/38/04/642823804.db2.gz QWNBMVMDPZZALP-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015995432 642944600 /nfs/dbraw/zinc/94/46/00/642944600.db2.gz VBTRMJHBKSOJDE-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016256950 642954780 /nfs/dbraw/zinc/95/47/80/642954780.db2.gz TXAPAFJHEVLHCO-RYUDHWBXSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019383080 643031477 /nfs/dbraw/zinc/03/14/77/643031477.db2.gz VLQAHVLQZPJDFY-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652425 643039074 /nfs/dbraw/zinc/03/90/74/643039074.db2.gz MGWOAJFGBHWMMY-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186769 643281397 /nfs/dbraw/zinc/28/13/97/643281397.db2.gz WHGMBMHPLKDNCC-ZDUSSCGKSA-N 2 0 249.358 0.009 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712477 643508704 /nfs/dbraw/zinc/50/87/04/643508704.db2.gz OZVKKBSHMTWXQF-VXGBXAGGSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997306329 643607000 /nfs/dbraw/zinc/60/70/00/643607000.db2.gz DIOYUOPLMFJRRD-UHFFFAOYSA-N 2 0 249.358 0.296 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923280004 644312402 /nfs/dbraw/zinc/31/24/02/644312402.db2.gz WCVQTTBMJXNANU-GFCCVEGCSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282316 644314943 /nfs/dbraw/zinc/31/49/43/644314943.db2.gz MXPOBVAIJHNAAL-NEPJUHHUSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923286007 644320089 /nfs/dbraw/zinc/32/00/89/644320089.db2.gz KXMYHMPSHICNBP-RYUDHWBXSA-N 2 0 212.337 0.855 20 30 BCEDRP Cc1ccc(CNC(C[NH3+])C[NH3+])cc1C#N ZINC000923358757 644367189 /nfs/dbraw/zinc/36/71/89/644367189.db2.gz HKGGBIWAMSECQC-UHFFFAOYSA-N 2 0 218.304 0.242 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355541 644372482 /nfs/dbraw/zinc/37/24/82/644372482.db2.gz NJGDIQXRUZEMFH-RYUDHWBXSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388521 644402166 /nfs/dbraw/zinc/40/21/66/644402166.db2.gz RLLIOSYTIPUVRY-JHJVBQTASA-N 2 0 242.363 0.609 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411750 644414146 /nfs/dbraw/zinc/41/41/46/644414146.db2.gz RKAGFGQXRHSQMV-SRVKXCTJSA-N 2 0 212.337 0.840 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478507 644456104 /nfs/dbraw/zinc/45/61/04/644456104.db2.gz DAPUJSKDIBTKQF-NWDGAFQWSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478505 644457172 /nfs/dbraw/zinc/45/71/72/644457172.db2.gz DAPUJSKDIBTKQF-NEPJUHHUSA-N 2 0 212.337 0.984 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000245924034 644554888 /nfs/dbraw/zinc/55/48/88/644554888.db2.gz VOOLKOGVMWIIME-WDEREUQCSA-N 2 0 226.368 0.983 20 30 BCEDRP CNC(NC[C@H](C)C[NH+]1CCCCC1)=[NH+]C ZINC000303255764 644813072 /nfs/dbraw/zinc/81/30/72/644813072.db2.gz GVTDGAZFBXQPQZ-NSHDSACASA-N 2 0 226.368 0.903 20 30 BCEDRP COCCNC(=[NH2+])NCC[NH+](C(C)C)C(C)C ZINC000303266342 644813104 /nfs/dbraw/zinc/81/31/04/644813104.db2.gz VVFOXZZWPLXAQX-UHFFFAOYSA-N 2 0 244.383 0.656 20 30 BCEDRP CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303269016 644815228 /nfs/dbraw/zinc/81/52/28/644815228.db2.gz ZMCSXOUXTBOPDS-UHFFFAOYSA-N 2 0 212.341 0.787 20 30 BCEDRP CC[NH+](CC)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000303723853 644842038 /nfs/dbraw/zinc/84/20/38/644842038.db2.gz ZFOGZXNRDFIAIS-NSHDSACASA-N 2 0 244.383 0.658 20 30 BCEDRP CCN(CC)C(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000303775437 644844216 /nfs/dbraw/zinc/84/42/16/644844216.db2.gz GWEVDNOOEOLHCB-UHFFFAOYSA-N 2 0 214.357 0.983 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782185 644846114 /nfs/dbraw/zinc/84/61/14/644846114.db2.gz MUXZLSRKRJECBB-NSHDSACASA-N 2 0 224.352 0.785 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782184 644846994 /nfs/dbraw/zinc/84/69/94/644846994.db2.gz MUXZLSRKRJECBB-LLVKDONJSA-N 2 0 224.352 0.785 20 30 BCEDRP COCC[N@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000303879487 644852977 /nfs/dbraw/zinc/85/29/77/644852977.db2.gz GONADJIASUITRH-UHFFFAOYSA-N 2 0 244.383 0.434 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303884745 644853598 /nfs/dbraw/zinc/85/35/98/644853598.db2.gz MVQYUTGSVBXQFU-LLVKDONJSA-N 2 0 224.352 0.807 20 30 BCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000303976258 644860252 /nfs/dbraw/zinc/86/02/52/644860252.db2.gz KAOQOPMWQHFLHN-NSHDSACASA-N 2 0 240.351 0.164 20 30 BCEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000303975558 644861291 /nfs/dbraw/zinc/86/12/91/644861291.db2.gz JFONGDGITDFTLL-UHFFFAOYSA-N 2 0 244.408 0.690 20 30 BCEDRP CC(C)CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304736865 644927992 /nfs/dbraw/zinc/92/79/92/644927992.db2.gz AEPHFVPKYYJGQQ-UHFFFAOYSA-N 2 0 214.357 0.935 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304746064 644929246 /nfs/dbraw/zinc/92/92/46/644929246.db2.gz FNLILGGYGVMUCF-SECBINFHSA-N 2 0 230.356 0.314 20 30 BCEDRP CCCNC(=[NH2+])NC[C@H](CC[NH+](C)C)OCC ZINC000304827654 644934971 /nfs/dbraw/zinc/93/49/71/644934971.db2.gz IEGUJOGARDIYRO-NSHDSACASA-N 2 0 244.383 0.658 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000928647880 645852893 /nfs/dbraw/zinc/85/28/93/645852893.db2.gz AIFWQDYOWXCFAV-CYBMUJFWSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000928654442 645854213 /nfs/dbraw/zinc/85/42/13/645854213.db2.gz BQNSVHOJHDAGCM-UHFFFAOYSA-N 2 0 249.358 0.296 20 30 BCEDRP C=CC[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925550928 646329467 /nfs/dbraw/zinc/32/94/67/646329467.db2.gz UWPLPSDIZRUFOV-CYBMUJFWSA-N 2 0 239.363 0.215 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925630534 646376957 /nfs/dbraw/zinc/37/69/57/646376957.db2.gz PPGWCXOWBXMYFX-BSCCGWMCSA-N 2 0 236.359 0.757 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCF ZINC000305106017 711785929 /nfs/dbraw/zinc/78/59/29/711785929.db2.gz BKZBKQNGALVAFN-JTQLQIEISA-N 2 0 230.331 0.735 20 30 BCEDRP C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046190825 710853562 /nfs/dbraw/zinc/85/35/62/710853562.db2.gz XIGXZEIFDIKNKO-OCCSQVGLSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891337 711544402 /nfs/dbraw/zinc/54/44/02/711544402.db2.gz NGTYRKVDMHADDU-GRYCIOLGSA-N 2 0 239.363 0.594 20 30 BCEDRP CCC[N@H+](C)CC(=O)NCC#CC[NH+](C)C ZINC000913518489 711823794 /nfs/dbraw/zinc/82/37/94/711823794.db2.gz RDWXVSIWUOXOHE-UHFFFAOYSA-N 2 0 225.336 0.009 20 30 BCEDRP COCC#CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710589087 712263255 /nfs/dbraw/zinc/26/32/55/712263255.db2.gz RCSKYWKEQROYFQ-UHFFFAOYSA-N 2 0 240.347 0.025 20 30 BCEDRP CC#CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710641394 712264482 /nfs/dbraw/zinc/26/44/82/712264482.db2.gz JDRDXLRJFDIGCW-UHFFFAOYSA-N 2 0 210.321 0.398 20 30 BCEDRP C=CC[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000714996641 712503365 /nfs/dbraw/zinc/50/33/65/712503365.db2.gz SKBGLRUBSFSQRK-STQMWFEESA-N 2 0 223.364 0.931 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CCC[C@H](C[NH2+]C)C1 ZINC000040601392 136222434 /nfs/dbraw/zinc/22/24/34/136222434.db2.gz NKYNCBNACWRRLN-NWDGAFQWSA-N 2 0 239.363 0.609 20 30 BCEDRP C[C@H](CCC#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000602524010 349576934 /nfs/dbraw/zinc/57/69/34/349576934.db2.gz JRBTZOQFAJFHEM-OLZOCXBDSA-N 2 0 239.363 0.973 20 30 BCEDRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602534761 349602260 /nfs/dbraw/zinc/60/22/60/349602260.db2.gz KBEXFORCSCFUDH-JTQLQIEISA-N 2 0 226.324 0.205 20 30 BCEDRP C[C@H](CNC1=[NH+]CCN1C)[N@@H+]1CCC[C@H](C)C1 ZINC000262669766 136374698 /nfs/dbraw/zinc/37/46/98/136374698.db2.gz QMOLGNMNJQKYHQ-NWDGAFQWSA-N 2 0 238.379 0.998 20 30 BCEDRP CN(CCOCC[NH3+])Cc1ccc(C#N)o1 ZINC000600770944 344371855 /nfs/dbraw/zinc/37/18/55/344371855.db2.gz FBYDBYGKNILNSU-UHFFFAOYSA-N 2 0 223.276 0.558 20 30 BCEDRP N#CCCOCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000378673862 345451934 /nfs/dbraw/zinc/45/19/34/345451934.db2.gz MXVOVNCQHJHHIS-PHIMTYICSA-N 2 0 209.293 0.068 20 30 BCEDRP C#CCN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000192230199 346075734 /nfs/dbraw/zinc/07/57/34/346075734.db2.gz RQRHJSQOYLDKCJ-LBPRGKRZSA-N 2 0 237.347 0.104 20 30 BCEDRP C=CCNC(=O)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807709 362766377 /nfs/dbraw/zinc/76/63/77/362766377.db2.gz JEXYNSRZTSOUFE-TUAOUCFPSA-N 2 0 239.363 0.736 20 30 BCEDRP C=CCNC(=O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641807711 362766630 /nfs/dbraw/zinc/76/66/30/362766630.db2.gz JEXYNSRZTSOUFE-WOPDTQHZSA-N 2 0 239.363 0.736 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677582 347685352 /nfs/dbraw/zinc/68/53/52/347685352.db2.gz NWSDGECRGAEONP-MNOVXSKESA-N 2 0 238.335 0.266 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000594427978 348044687 /nfs/dbraw/zinc/04/46/87/348044687.db2.gz YQRJCQBYFXFLJY-QWRGUYRKSA-N 2 0 238.335 0.266 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000594427979 348044801 /nfs/dbraw/zinc/04/48/01/348044801.db2.gz YQRJCQBYFXFLJY-WDEREUQCSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424298 348051235 /nfs/dbraw/zinc/05/12/35/348051235.db2.gz AFKQHPIEWFESCQ-VHSXEESVSA-N 2 0 226.324 0.203 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594425606 348051938 /nfs/dbraw/zinc/05/19/38/348051938.db2.gz LNDVCALYBPQQFL-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000594426127 348052009 /nfs/dbraw/zinc/05/20/09/348052009.db2.gz NMGBUTZJMAGFFD-MNOVXSKESA-N 2 0 238.335 0.347 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000594426649 348052748 /nfs/dbraw/zinc/05/27/48/348052748.db2.gz QMCXMFKZERSYEJ-GHMZBOCLSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438224 348054282 /nfs/dbraw/zinc/05/42/82/348054282.db2.gz HWVKUVIAZXZURE-UWVGGRQHSA-N 2 0 226.324 0.109 20 30 BCEDRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000595936346 348409003 /nfs/dbraw/zinc/40/90/03/348409003.db2.gz BHCHNDYZIUUCEP-QWRGUYRKSA-N 2 0 240.351 0.464 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595952540 348404179 /nfs/dbraw/zinc/40/41/79/348404179.db2.gz DVPWDIMWHBRTHJ-SNVBAGLBSA-N 2 0 238.335 0.395 20 30 BCEDRP N#C[C@@H]1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599085278 349089707 /nfs/dbraw/zinc/08/97/07/349089707.db2.gz OIPFYQZLTIEGGD-GRYCIOLGSA-N 2 0 223.320 0.335 20 30 BCEDRP N#C[C@H]1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599085281 349089789 /nfs/dbraw/zinc/08/97/89/349089789.db2.gz OIPFYQZLTIEGGD-SDDRHHMPSA-N 2 0 223.320 0.335 20 30 BCEDRP C=C[C@H](C(=O)OC)N1CCC(C[NH+](C)C)CC1 ZINC000304214536 350648676 /nfs/dbraw/zinc/64/86/76/350648676.db2.gz JCQPUFAKAHNVPS-GFCCVEGCSA-N 2 0 240.347 0.988 20 30 BCEDRP CCN(CC)C(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271833821 351440180 /nfs/dbraw/zinc/44/01/80/351440180.db2.gz RIULBXMBPAZMMW-UHFFFAOYSA-N 2 0 224.352 0.905 20 30 BCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166160 353580341 /nfs/dbraw/zinc/58/03/41/353580341.db2.gz ZOZNHIYOIMJVKI-NSHDSACASA-N 2 0 239.363 0.609 20 30 BCEDRP C=CCN1CC[C@H](N2CCC[NH2+]CC2)C1=O ZINC000334588081 354214436 /nfs/dbraw/zinc/21/44/36/354214436.db2.gz RDZLOZZRMIQBCM-NSHDSACASA-N 2 0 223.320 0.069 20 30 BCEDRP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000420371541 192227363 /nfs/dbraw/zinc/22/73/63/192227363.db2.gz KJGNEXNSWFUKJP-UHFFFAOYSA-N 2 0 237.347 0.459 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C2([NH3+])CC2)CC1 ZINC000353589739 134164807 /nfs/dbraw/zinc/16/48/07/134164807.db2.gz MYXVKYKEESMBQD-UHFFFAOYSA-N 2 0 223.320 0.244 20 30 BCEDRP CC#CCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000389605137 357002013 /nfs/dbraw/zinc/00/20/13/357002013.db2.gz ARWIAVRBLLSTDS-GFCCVEGCSA-N 2 0 210.321 0.445 20 30 BCEDRP NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114849993 134200480 /nfs/dbraw/zinc/20/04/80/134200480.db2.gz PQQXWDCLRAWXRU-LBPRGKRZSA-N 2 0 232.331 0.924 20 30 BCEDRP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](C)C ZINC000610560903 357988246 /nfs/dbraw/zinc/98/82/46/357988246.db2.gz ZQUAQQJVQFEAHR-JTQLQIEISA-N 2 0 238.335 0.041 20 30 BCEDRP C#CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368389 358438775 /nfs/dbraw/zinc/43/87/75/358438775.db2.gz QKWOUKSNCJCYFB-CYBMUJFWSA-N 2 0 221.348 0.331 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308942842 491140863 /nfs/dbraw/zinc/14/08/63/491140863.db2.gz QYWYOSKQPSBOHG-UTUOFQBUSA-N 2 0 210.321 0.465 20 30 BCEDRP C#CCNC(N[C@@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C ZINC000083512449 359796704 /nfs/dbraw/zinc/79/67/04/359796704.db2.gz FGBAXEKIWDWEBE-GFCCVEGCSA-N 2 0 248.374 0.802 20 30 BCEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059611 201307717 /nfs/dbraw/zinc/30/77/17/201307717.db2.gz BOSUIQUJNBXNHK-LBPRGKRZSA-N 2 0 239.363 0.882 20 30 BCEDRP N#Cc1ncn(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573386239 364821064 /nfs/dbraw/zinc/82/10/64/364821064.db2.gz XBICZXMXXXCWTK-NXEZZACHSA-N 2 0 234.307 0.009 20 30 BCEDRP C=CCC[C@@H](CC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000581937845 367964571 /nfs/dbraw/zinc/96/45/71/367964571.db2.gz XHFOSOQKAZYHNF-GFCCVEGCSA-N 2 0 239.363 0.753 20 30 BCEDRP C=CCCn1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000631837077 369091379 /nfs/dbraw/zinc/09/13/79/369091379.db2.gz MLQFEVJBXLUCMC-VXGBXAGGSA-N 2 0 249.362 0.881 20 30 BCEDRP C=C[C@H](C(=O)OC)N(C)CCCn1ccnc1 ZINC000619719774 369550367 /nfs/dbraw/zinc/55/03/67/369550367.db2.gz CBFOUECENQPANM-LLVKDONJSA-N 2 0 237.303 0.933 20 30 BCEDRP Cc1ccc(CN(C)C[C@@H](O)C[NH3+])cc1C#N ZINC000600709815 369560070 /nfs/dbraw/zinc/56/00/70/369560070.db2.gz JVMJRWBKCDPNFQ-ZDUSSCGKSA-N 2 0 233.315 0.618 20 30 BCEDRP CN(CCOCC[NH3+])Cc1ccccc1C#N ZINC000600739885 369561647 /nfs/dbraw/zinc/56/16/47/369561647.db2.gz GHXDZVDOMHXUMS-UHFFFAOYSA-N 2 0 233.315 0.965 20 30 BCEDRP N#Cc1ccc(CNC[C@H]([NH3+])C2CC2)o1 ZINC000600769026 369563590 /nfs/dbraw/zinc/56/35/90/369563590.db2.gz JMEVASSVWPRSBK-NSHDSACASA-N 2 0 205.261 0.978 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236659814 384548429 /nfs/dbraw/zinc/54/84/29/384548429.db2.gz JONJOIWQQMXWLO-NSHDSACASA-N 2 0 237.347 0.363 20 30 BCEDRP C[C@H]1CCC[C@](CNC(N)=[NH2+])([NH+](C)C)C1 ZINC000203485004 384673150 /nfs/dbraw/zinc/67/31/50/384673150.db2.gz VUOLADOUNZMGAY-ONGXEEELSA-N 2 0 212.341 0.770 20 30 BCEDRP CC[C@H](CC#N)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000564465333 384869981 /nfs/dbraw/zinc/86/99/81/384869981.db2.gz LDNUUHTZBGSLTM-PWSUYJOCSA-N 2 0 225.336 0.723 20 30 BCEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309835863 384866047 /nfs/dbraw/zinc/86/60/47/384866047.db2.gz BAHBQTHHGRYCII-NWDGAFQWSA-N 2 0 225.336 0.846 20 30 BCEDRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309835865 384866277 /nfs/dbraw/zinc/86/62/77/384866277.db2.gz BAHBQTHHGRYCII-RYUDHWBXSA-N 2 0 225.336 0.846 20 30 BCEDRP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000320613229 385408768 /nfs/dbraw/zinc/40/87/68/385408768.db2.gz HAYYIQFLONCWEG-OLZOCXBDSA-N 2 0 242.363 0.360 20 30 BCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594440472 385601678 /nfs/dbraw/zinc/60/16/78/385601678.db2.gz CWCKSYYDABMLDX-QWRGUYRKSA-N 2 0 240.351 0.464 20 30 BCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594440470 385602003 /nfs/dbraw/zinc/60/20/03/385602003.db2.gz CWCKSYYDABMLDX-GHMZBOCLSA-N 2 0 240.351 0.464 20 30 BCEDRP CC(C)[C@H](C[NH2+]CCC#N)N1CC[NH+](C)CC1 ZINC000515055631 387327082 /nfs/dbraw/zinc/32/70/82/387327082.db2.gz ZKIZXWJHJHKMKH-ZDUSSCGKSA-N 2 0 238.379 0.762 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000424055793 387472842 /nfs/dbraw/zinc/47/28/42/387472842.db2.gz FLQQPTOGMOQVLJ-QWRGUYRKSA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)[NH2+]1 ZINC000424070360 387476619 /nfs/dbraw/zinc/47/66/19/387476619.db2.gz AJBYLANULJJYDZ-MXWKQRLJSA-N 2 0 238.335 0.216 20 30 BCEDRP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424075997 387477507 /nfs/dbraw/zinc/47/75/07/387477507.db2.gz KTCKXGRSBXAADA-SNVBAGLBSA-N 2 0 240.351 0.641 20 30 BCEDRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141570 387712264 /nfs/dbraw/zinc/71/22/64/387712264.db2.gz UIBKACAUTXJQRS-NSHDSACASA-N 2 0 240.351 0.466 20 30 BCEDRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424152139 387799612 /nfs/dbraw/zinc/79/96/12/387799612.db2.gz INKWNXIAJGKYOV-GHMZBOCLSA-N 2 0 240.351 0.464 20 30 BCEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000442763619 387833913 /nfs/dbraw/zinc/83/39/13/387833913.db2.gz BCMAPVSPUMNYHB-FRRDWIJNSA-N 2 0 237.347 0.725 20 30 BCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424173612 387873463 /nfs/dbraw/zinc/87/34/63/387873463.db2.gz FGVOWDQNKMRRSU-UWVGGRQHSA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424164603 387847524 /nfs/dbraw/zinc/84/75/24/387847524.db2.gz XFBMCKSYJXTPLK-GARJFASQSA-N 2 0 238.335 0.264 20 30 BCEDRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424164718 387848891 /nfs/dbraw/zinc/84/88/91/387848891.db2.gz XLBUTRKLCZRHAC-NXEZZACHSA-N 2 0 226.324 0.122 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193636137 387860376 /nfs/dbraw/zinc/86/03/76/387860376.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 0 237.347 0.171 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000424154666 387816343 /nfs/dbraw/zinc/81/63/43/387816343.db2.gz JZCHTRNBAQXGGD-DCAQKATOSA-N 2 0 238.335 0.394 20 30 BCEDRP C=CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433158625 387872850 /nfs/dbraw/zinc/87/28/50/387872850.db2.gz KEFXPLCHAXQZQZ-UHFFFAOYSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000517137177 388539139 /nfs/dbraw/zinc/53/91/39/388539139.db2.gz CHMYMUMGJRUTGY-UHFFFAOYSA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH3+])CC1 ZINC000083907661 135460571 /nfs/dbraw/zinc/46/05/71/135460571.db2.gz KTBRDZNCGJGWGZ-SECBINFHSA-N 2 0 211.309 0.100 20 30 BCEDRP C=CCNC(NC[C@H]1CC[N@H+](C)C1)=[NH+]C ZINC000103902253 134159264 /nfs/dbraw/zinc/15/92/64/134159264.db2.gz MGMCLOPJCCZSBB-SNVBAGLBSA-N 2 0 210.325 0.289 20 30 BCEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000376001600 134241214 /nfs/dbraw/zinc/24/12/14/134241214.db2.gz VOOCVGQZUMAMMW-XQQFMLRXSA-N 2 0 249.358 0.267 20 30 BCEDRP NC(=[NH2+])NCCN1CCc2sccc2C1 ZINC000261709335 135111492 /nfs/dbraw/zinc/11/14/92/135111492.db2.gz DJWLUMGTMLCAIR-UHFFFAOYSA-N 2 0 224.333 0.380 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@@H+](C)[C@H](C)CC ZINC000264322379 135137824 /nfs/dbraw/zinc/13/78/24/135137824.db2.gz XYNTZECCKQLUKX-SNVBAGLBSA-N 2 0 212.341 0.807 20 30 BCEDRP CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267475277 135154808 /nfs/dbraw/zinc/15/48/08/135154808.db2.gz ZCNYBOHTFBFSNR-UHFFFAOYSA-N 2 0 238.310 0.921 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000261531922 135161734 /nfs/dbraw/zinc/16/17/34/135161734.db2.gz IKINYZBCOZMAIR-UWVGGRQHSA-N 2 0 210.325 0.408 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261532665 135163230 /nfs/dbraw/zinc/16/32/30/135163230.db2.gz KCOWHRUILUGUFU-ZJUUUORDSA-N 2 0 212.341 0.654 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562975 135205373 /nfs/dbraw/zinc/20/53/73/135205373.db2.gz WUDZZRFANDOYLR-QJPTWQEYSA-N 2 0 237.347 0.361 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122353146 135227160 /nfs/dbraw/zinc/22/71/60/135227160.db2.gz VFVASVZQLOTKPM-VWYCJHECSA-N 2 0 225.336 0.346 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122352893 135227467 /nfs/dbraw/zinc/22/74/67/135227467.db2.gz VFVASVZQLOTKPM-OUAUKWLOSA-N 2 0 225.336 0.346 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341169022 135234570 /nfs/dbraw/zinc/23/45/70/135234570.db2.gz HHUFIBWGEOPKLI-UHFFFAOYSA-N 2 0 239.363 0.562 20 30 BCEDRP CNC(NC1CC[NH+](C(C)C)CC1)=[NH+]C ZINC000261727520 135248413 /nfs/dbraw/zinc/24/84/13/135248413.db2.gz GVCHPOXJAXDQQS-UHFFFAOYSA-N 2 0 212.341 0.654 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261997723 135270834 /nfs/dbraw/zinc/27/08/34/135270834.db2.gz OOJXCQVUZWTLKF-JTQLQIEISA-N 2 0 242.392 0.302 20 30 BCEDRP C=CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000262019975 135273440 /nfs/dbraw/zinc/27/34/40/135273440.db2.gz YOGSJQFSMRNPGG-ZYHUDNBSSA-N 2 0 236.363 0.820 20 30 BCEDRP CN/C(=[NH+]/C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262435530 135297231 /nfs/dbraw/zinc/29/72/31/135297231.db2.gz GFZKIBUFNXBLCI-NSHDSACASA-N 2 0 224.352 0.752 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2=CC[N@H+](C)CC2)N1 ZINC000262481069 135301859 /nfs/dbraw/zinc/30/18/59/135301859.db2.gz CYJYYEWCWDJHPJ-VIFPVBQESA-N 2 0 208.309 0.186 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[C@@H]2CCC[N@H+](C)C2)N1 ZINC000263170185 135337245 /nfs/dbraw/zinc/33/72/45/135337245.db2.gz RXJTYJQNMFJIQU-MNOVXSKESA-N 2 0 224.352 0.656 20 30 BCEDRP C=CC[C@@]1(C(=O)NCCC[NH2+]C)CCC[NH2+]1 ZINC000662397451 487597724 /nfs/dbraw/zinc/59/77/24/487597724.db2.gz DTBQIEVEXLTPNY-LBPRGKRZSA-N 2 0 225.336 0.410 20 30 BCEDRP C=CCCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000652338091 411203797 /nfs/dbraw/zinc/20/37/97/411203797.db2.gz AJONZYLQTHRFJC-NSHDSACASA-N 2 0 200.326 0.855 20 30 BCEDRP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662389227 412140450 /nfs/dbraw/zinc/14/04/50/412140450.db2.gz UEWLMCNQXLQPMB-DGCLKSJQSA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)COC ZINC000662299836 412087731 /nfs/dbraw/zinc/08/77/31/412087731.db2.gz YFGRQQSSUXNZQQ-ZDUSSCGKSA-N 2 0 241.379 0.415 20 30 BCEDRP C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665263384 412206290 /nfs/dbraw/zinc/20/62/90/412206290.db2.gz LNNCUTXUNDVYTC-JHJVBQTASA-N 2 0 242.363 0.921 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662394935 412144481 /nfs/dbraw/zinc/14/44/81/412144481.db2.gz GQWSFQRRMVIXCV-WCQYABFASA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662401310 412148673 /nfs/dbraw/zinc/14/86/73/412148673.db2.gz PUOQDCIDPDPMTR-JQWIXIFHSA-N 2 0 223.320 0.163 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[NH2+]C)CCC[NH2+]1 ZINC000662409485 412154898 /nfs/dbraw/zinc/15/48/98/412154898.db2.gz MVCRAEVWJGUKMS-NSHDSACASA-N 2 0 211.309 0.020 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662411993 412155974 /nfs/dbraw/zinc/15/59/74/412155974.db2.gz NYPARUMCFRXYEP-AAEUAGOBSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662721603 412283150 /nfs/dbraw/zinc/28/31/50/412283150.db2.gz RJHBHOBLNMIJNC-XYPYZODXSA-N 2 0 237.347 0.490 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662843939 412319973 /nfs/dbraw/zinc/31/99/73/412319973.db2.gz PVOVPINUBLAKDL-CYBMUJFWSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662969571 412359483 /nfs/dbraw/zinc/35/94/83/412359483.db2.gz SVWOICGDBXVQJA-ZYHUDNBSSA-N 2 0 225.336 0.409 20 30 BCEDRP C=CC[C@]1(C(=O)NCC2=CC[NH2+]CC2)CCC[NH2+]1 ZINC000662767847 412296381 /nfs/dbraw/zinc/29/63/81/412296381.db2.gz ZQQYWAGFLUCTIA-CQSZACIVSA-N 2 0 249.358 0.721 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000662785248 412301497 /nfs/dbraw/zinc/30/14/97/412301497.db2.gz UPEHDEKIHWKNCO-YPMHNXCESA-N 2 0 239.363 0.928 20 30 BCEDRP NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272662976 487646675 /nfs/dbraw/zinc/64/66/75/487646675.db2.gz ABVGACXUJOSHHG-LBPRGKRZSA-N 2 0 248.330 0.027 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567975356 323105921 /nfs/dbraw/zinc/10/59/21/323105921.db2.gz RJHBHOBLNMIJNC-PHIMTYICSA-N 2 0 237.347 0.490 20 30 BCEDRP C=C(CC)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567464960 326198111 /nfs/dbraw/zinc/19/81/11/326198111.db2.gz DHTYACCZLCDSHN-ZDUSSCGKSA-N 2 0 241.379 0.151 20 30 BCEDRP C=C(CC)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567464959 326198269 /nfs/dbraw/zinc/19/82/69/326198269.db2.gz DHTYACCZLCDSHN-CYBMUJFWSA-N 2 0 241.379 0.151 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000264077235 534842722 /nfs/dbraw/zinc/84/27/22/534842722.db2.gz GEOJQEGSHHOPBX-NSHDSACASA-N 2 0 224.352 0.809 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262644514 535475002 /nfs/dbraw/zinc/47/50/02/535475002.db2.gz IRGQKWLTKCZUEQ-WDEREUQCSA-N 2 0 224.352 0.798 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262644502 535476329 /nfs/dbraw/zinc/47/63/29/535476329.db2.gz IRGQKWLTKCZUEQ-GHMZBOCLSA-N 2 0 224.352 0.798 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262644507 535502444 /nfs/dbraw/zinc/50/24/44/535502444.db2.gz IRGQKWLTKCZUEQ-MNOVXSKESA-N 2 0 224.352 0.798 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073572 588859638 /nfs/dbraw/zinc/85/96/38/588859638.db2.gz SPQMCGSIPDDMAZ-GFCCVEGCSA-N 2 0 239.363 0.705 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155058 583115494 /nfs/dbraw/zinc/11/54/94/583115494.db2.gz WVRUOLCYQDPADW-VIFPVBQESA-N 2 0 230.356 0.266 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155060 583115876 /nfs/dbraw/zinc/11/58/76/583115876.db2.gz WVRUOLCYQDPADW-SECBINFHSA-N 2 0 230.356 0.266 20 30 BCEDRP C=CCNC(=O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000393845552 583130845 /nfs/dbraw/zinc/13/08/45/583130845.db2.gz DKPGIJGAABLVNE-LLVKDONJSA-N 2 0 239.363 0.609 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000104192998 583163315 /nfs/dbraw/zinc/16/33/15/583163315.db2.gz BPJJOHBYQIKMIO-SNVBAGLBSA-N 2 0 224.352 0.950 20 30 BCEDRP C#CC[N@H+](C)CCCNc1nc(N)cc(C)[nH+]1 ZINC000893988405 583270339 /nfs/dbraw/zinc/27/03/39/583270339.db2.gz BFEULNCGCDTGRU-UHFFFAOYSA-N 2 0 233.319 0.734 20 30 BCEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000751515871 583913335 /nfs/dbraw/zinc/91/33/35/583913335.db2.gz ACUUCIRNEAGXIS-SNVBAGLBSA-N 2 0 245.330 0.977 20 30 BCEDRP CCNC(NC[C@H](C[NH+](C)C)OCC)=[NH+]CC ZINC000899261821 584190131 /nfs/dbraw/zinc/19/01/31/584190131.db2.gz AWODGSGAAYAYRB-LLVKDONJSA-N 2 0 244.383 0.528 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000900163464 584281428 /nfs/dbraw/zinc/28/14/28/584281428.db2.gz QLHRWXKYUBGMRZ-NSHDSACASA-N 2 0 227.352 0.561 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000900306475 584293537 /nfs/dbraw/zinc/29/35/37/584293537.db2.gz RKKDTAFLHZCGMB-GFCCVEGCSA-N 2 0 239.363 0.562 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000900695951 584338921 /nfs/dbraw/zinc/33/89/21/584338921.db2.gz UYOFPRLGRWFFNE-GFCCVEGCSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000900695952 584338949 /nfs/dbraw/zinc/33/89/49/584338949.db2.gz UYOFPRLGRWFFNE-LBPRGKRZSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000900695585 584339024 /nfs/dbraw/zinc/33/90/24/584339024.db2.gz RSEFEKPIFOGBLQ-LBPRGKRZSA-N 2 0 241.379 0.951 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[NH+](C)C ZINC000900926608 584366449 /nfs/dbraw/zinc/36/64/49/584366449.db2.gz IBYQIKVGKKVTHT-UHFFFAOYSA-N 2 0 227.352 0.514 20 30 BCEDRP C=CC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747246 584794760 /nfs/dbraw/zinc/79/47/60/584794760.db2.gz QKZZBXTUHCQFDV-VXGBXAGGSA-N 2 0 210.321 0.873 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000877105784 584890069 /nfs/dbraw/zinc/89/00/69/584890069.db2.gz NBCLDGOSPKENBO-PWSUYJOCSA-N 2 0 225.336 0.490 20 30 BCEDRP C[C@@H]1CNC(NN=C2CC[N@@H+]3CCC[C@@H]23)=[NH+]1 ZINC000779792203 585763823 /nfs/dbraw/zinc/76/38/23/585763823.db2.gz QAFVCJHFEOQNBY-SCZZXKLOSA-N 2 0 221.308 0.148 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000826722806 587360007 /nfs/dbraw/zinc/36/00/07/587360007.db2.gz XHODPQFQWIJTPN-NSHDSACASA-N 2 0 239.363 0.562 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848296137 588371147 /nfs/dbraw/zinc/37/11/47/588371147.db2.gz YMDRKOJFVBFCMY-TXEJJXNPSA-N 2 0 239.363 0.561 20 30 BCEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C ZINC000848996519 588428999 /nfs/dbraw/zinc/42/89/99/588428999.db2.gz BFNZBADTXAFZIK-SECBINFHSA-N 2 0 200.330 0.416 20 30 BCEDRP CNC(NCC(C)(C)C[NH+]1CCCC1)=[NH+]C ZINC000849022098 588439291 /nfs/dbraw/zinc/43/92/91/588439291.db2.gz ZXMULWQCZPNPLH-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026099 588440659 /nfs/dbraw/zinc/44/06/59/588440659.db2.gz VHMMMPIBWJGPHZ-NSHDSACASA-N 2 0 249.362 0.888 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO ZINC000849034243 588444384 /nfs/dbraw/zinc/44/43/84/588444384.db2.gz PBMQLQXZXJZVSR-LLVKDONJSA-N 2 0 240.351 0.133 20 30 BCEDRP CNC(NCC[N@@H+]1CCCC1(C)C)=[NH+]C ZINC000849039424 588447134 /nfs/dbraw/zinc/44/71/34/588447134.db2.gz XTOQBLSUDJMWGF-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP CC(C)C[N@H+](C)CCCNC1=[NH+]CCN1C ZINC000849046322 588450039 /nfs/dbraw/zinc/45/00/39/588450039.db2.gz BOXJGCNZEGKNCY-UHFFFAOYSA-N 2 0 226.368 0.855 20 30 BCEDRP CCNC(NC[C@H]1CCC[N@H+](C)C1)=[NH+]CC ZINC000108638502 588479458 /nfs/dbraw/zinc/47/94/58/588479458.db2.gz GYUXDYHHSXJEKU-LLVKDONJSA-N 2 0 226.368 0.903 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000852796180 588703553 /nfs/dbraw/zinc/70/35/53/588703553.db2.gz QLNRMNKNIAEOHX-ZDUSSCGKSA-N 2 0 249.358 0.105 20 30 BCEDRP [NH3+]C1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852795294 588703580 /nfs/dbraw/zinc/70/35/80/588703580.db2.gz WONQNGBMEGLBER-UHFFFAOYSA-N 2 0 249.358 0.376 20 30 BCEDRP C[NH2+]C[C@@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852799962 588704303 /nfs/dbraw/zinc/70/43/03/588704303.db2.gz XUSVCLZEAXSALV-ZDUSSCGKSA-N 2 0 249.358 0.200 20 30 BCEDRP CNC(NC[C@H]1CC[N@@H+]1C1CCCC1)=[NH+]C ZINC000864356925 589355043 /nfs/dbraw/zinc/35/50/43/589355043.db2.gz QYBDSMQYWJJIRO-LLVKDONJSA-N 2 0 224.352 0.798 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH2+]CC ZINC000876509380 590204864 /nfs/dbraw/zinc/20/48/64/590204864.db2.gz KIKYOGLPXRBMBU-VIFPVBQESA-N 2 0 233.743 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000876508082 590205053 /nfs/dbraw/zinc/20/50/53/590205053.db2.gz IFKVDOWWFLHTOB-SNVBAGLBSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876513253 590206156 /nfs/dbraw/zinc/20/61/56/590206156.db2.gz JFLKXDMRSAJDMR-NXEZZACHSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000876519072 590207011 /nfs/dbraw/zinc/20/70/11/590207011.db2.gz RGJUHBGRDWBMSL-YUMQZZPRSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000876529416 590209874 /nfs/dbraw/zinc/20/98/74/590209874.db2.gz COGNVHMTLYZJCB-BBBLOLIVSA-N 2 0 245.754 0.665 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541918 590212790 /nfs/dbraw/zinc/21/27/90/590212790.db2.gz MGBQTYJSIZVEPT-SECBINFHSA-N 2 0 247.770 0.900 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000876711402 590232653 /nfs/dbraw/zinc/23/26/53/590232653.db2.gz YIGWDSPDFASZNH-JTQLQIEISA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000876733629 590232896 /nfs/dbraw/zinc/23/28/96/590232896.db2.gz CYFSORWFUUVVHG-VHSXEESVSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000876733628 590233969 /nfs/dbraw/zinc/23/39/69/590233969.db2.gz CYFSORWFUUVVHG-UWVGGRQHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000876735134 590234586 /nfs/dbraw/zinc/23/45/86/590234586.db2.gz LBDSZBALJFMBMI-RKDXNWHRSA-N 2 0 233.743 0.523 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+](C)C ZINC000876735131 590234616 /nfs/dbraw/zinc/23/46/16/590234616.db2.gz LBDSZBALJFMBMI-BDAKNGLRSA-N 2 0 233.743 0.523 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH+](C)C ZINC000876738530 590235442 /nfs/dbraw/zinc/23/54/42/590235442.db2.gz GFCZOEXBMDGNSR-UWVGGRQHSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000876810624 590245319 /nfs/dbraw/zinc/24/53/19/590245319.db2.gz XDPJLRXGEGTBAJ-JTQLQIEISA-N 2 0 243.738 0.492 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000876813854 590245427 /nfs/dbraw/zinc/24/54/27/590245427.db2.gz XVKGFAIMJKMISF-FKTZTGRPSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000876813857 590245492 /nfs/dbraw/zinc/24/54/92/590245492.db2.gz XVKGFAIMJKMISF-JEZHCXPESA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000876813856 590245497 /nfs/dbraw/zinc/24/54/97/590245497.db2.gz XVKGFAIMJKMISF-HGNGGELXSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826005 590246422 /nfs/dbraw/zinc/24/64/22/590246422.db2.gz AXFZYWYUJAWOBR-ZJUUUORDSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000876831403 590247697 /nfs/dbraw/zinc/24/76/97/590247697.db2.gz ZJDKKUZQYJQXKL-UJNFCWOMSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000876835136 590247906 /nfs/dbraw/zinc/24/79/06/590247906.db2.gz XWFZMHHKWQMEQJ-VIFPVBQESA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000876835522 590248005 /nfs/dbraw/zinc/24/80/05/590248005.db2.gz XJTVHLSAOIVEOJ-AEJSXWLSSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857315 590249874 /nfs/dbraw/zinc/24/98/74/590249874.db2.gz AYAWPXRAIQMQOX-IUCAKERBSA-N 2 0 233.743 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870985 590251764 /nfs/dbraw/zinc/25/17/64/590251764.db2.gz FRIQMRIZOMEILU-BDAKNGLRSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000876871634 590251887 /nfs/dbraw/zinc/25/18/87/590251887.db2.gz MYOVLLJPISJWQG-SECBINFHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1c[nH]cn1 ZINC000876882784 590253170 /nfs/dbraw/zinc/25/31/70/590253170.db2.gz ROZRRXREFWQWDK-QMMMGPOBSA-N 2 0 228.683 0.496 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980519 590264448 /nfs/dbraw/zinc/26/44/48/590264448.db2.gz IGQAYKLBSONWSV-SCZZXKLOSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980521 590264496 /nfs/dbraw/zinc/26/44/96/590264496.db2.gz IGQAYKLBSONWSV-WCBMZHEXSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC[NH3+] ZINC000877006341 590268541 /nfs/dbraw/zinc/26/85/41/590268541.db2.gz SJFGCNVJCXMATO-QMMMGPOBSA-N 2 0 219.716 0.264 20 30 BCEDRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000884362010 591916048 /nfs/dbraw/zinc/91/60/48/591916048.db2.gz CYFNMNZJUIFKMM-NEPJUHHUSA-N 2 0 249.358 0.231 20 30 BCEDRP C#CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000884613539 591994326 /nfs/dbraw/zinc/99/43/26/591994326.db2.gz OVKBLRNANOXQJM-NSHDSACASA-N 2 0 245.330 0.877 20 30 BCEDRP C[NH+]=C(NCCC[N@@H+](C)CCOC)NC1CC1 ZINC000103338411 592579283 /nfs/dbraw/zinc/57/92/83/592579283.db2.gz OSJBXGCWIZTAOZ-UHFFFAOYSA-N 2 0 242.367 0.282 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000178566699 635511503 /nfs/dbraw/zinc/51/15/03/635511503.db2.gz GMTPAELBLGGQHF-SNVBAGLBSA-N 2 0 212.341 0.737 20 30 BCEDRP CC[NH+]1CCC(CCNC(=[NH2+])N(C)C)CC1 ZINC000178573018 635519760 /nfs/dbraw/zinc/51/97/60/635519760.db2.gz NTDNSBXVQWWLPL-UHFFFAOYSA-N 2 0 226.368 0.985 20 30 BCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314881 635649968 /nfs/dbraw/zinc/64/99/68/635649968.db2.gz FIDKUSQFTZWQMM-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447192 635675380 /nfs/dbraw/zinc/67/53/80/635675380.db2.gz NLWKSMIHOSNHAD-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000155921321 632118454 /nfs/dbraw/zinc/11/84/54/632118454.db2.gz LSXNFYDSZQIZEL-SNVBAGLBSA-N 2 0 240.351 0.021 20 30 BCEDRP CNC(NCC[NH+]1CCCCCC1)=[NH+]C ZINC000066245414 632861715 /nfs/dbraw/zinc/86/17/15/632861715.db2.gz CFRDWDZJUIFSAM-UHFFFAOYSA-N 2 0 212.341 0.657 20 30 BCEDRP CCCC[N@H+](C)CCNC(NC)=[NH+]C ZINC000304054049 635934442 /nfs/dbraw/zinc/93/44/42/635934442.db2.gz LOTCKDAYCMUUTJ-UHFFFAOYSA-N 2 0 200.330 0.513 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980538327 635236830 /nfs/dbraw/zinc/23/68/30/635236830.db2.gz FDKILFMKEJCDSU-GFCCVEGCSA-N 2 0 246.314 0.049 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303873689 636314097 /nfs/dbraw/zinc/31/40/97/636314097.db2.gz GWESJMBGGWSKIH-LLVKDONJSA-N 2 0 226.368 0.983 20 30 BCEDRP CC[NH+](CC)CCNC(=[NH2+])N(C)C1CC1 ZINC000305825845 636332102 /nfs/dbraw/zinc/33/21/02/636332102.db2.gz QYQNWVAVGUVPQJ-UHFFFAOYSA-N 2 0 212.341 0.737 20 30 BCEDRP CN1CC[NH+]=C1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000262668838 636441642 /nfs/dbraw/zinc/44/16/42/636441642.db2.gz PYXHLEJJXSHBNW-NSHDSACASA-N 2 0 238.379 0.998 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000910930006 639534245 /nfs/dbraw/zinc/53/42/45/639534245.db2.gz FOADFAHNYZQFRD-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC000911620766 639683450 /nfs/dbraw/zinc/68/34/50/639683450.db2.gz TXPRKRGYZNLMJY-NSHDSACASA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911672011 639698853 /nfs/dbraw/zinc/69/88/53/639698853.db2.gz INUJMNZCKACKRB-LBPRGKRZSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656438 639712110 /nfs/dbraw/zinc/71/21/10/639712110.db2.gz NKICNIIQLBIMMJ-QWRGUYRKSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656435 639712170 /nfs/dbraw/zinc/71/21/70/639712170.db2.gz NKICNIIQLBIMMJ-GHMZBOCLSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]CC ZINC000911688547 639729051 /nfs/dbraw/zinc/72/90/51/639729051.db2.gz PYOLBVQOLLTPED-NSHDSACASA-N 2 0 227.352 0.786 20 30 BCEDRP CN(C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460833 639763037 /nfs/dbraw/zinc/76/30/37/639763037.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 0 237.347 0.818 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739135 639763988 /nfs/dbraw/zinc/76/39/88/639763988.db2.gz QNPWRUQBSPHXFJ-MNOVXSKESA-N 2 0 225.336 0.477 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751441 639776845 /nfs/dbraw/zinc/77/68/45/639776845.db2.gz JTRZRILEEXZKJI-WDEREUQCSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751406 639777947 /nfs/dbraw/zinc/77/79/47/639777947.db2.gz JTRZRILEEXZKJI-MNOVXSKESA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911769632 639793261 /nfs/dbraw/zinc/79/32/61/639793261.db2.gz WHOHALNZBCSRKW-NEPJUHHUSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802352 639824109 /nfs/dbraw/zinc/82/41/09/639824109.db2.gz JECCBAGPXGJFPX-AAEUAGOBSA-N 2 0 239.363 0.914 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000911811406 639832724 /nfs/dbraw/zinc/83/27/24/639832724.db2.gz ACRSGJBIAGDUGX-ZJUUUORDSA-N 2 0 213.325 0.476 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834828 639845871 /nfs/dbraw/zinc/84/58/71/639845871.db2.gz RXIQTOKYXUFYIJ-MNOVXSKESA-N 2 0 225.336 0.524 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869328 639853666 /nfs/dbraw/zinc/85/36/66/639853666.db2.gz UZOAZEJTIZSTHN-NEPJUHHUSA-N 2 0 239.363 0.880 20 30 BCEDRP COCC#CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440750 640208217 /nfs/dbraw/zinc/20/82/17/640208217.db2.gz YOZPSUIUTXSYIR-QWHCGFSZSA-N 2 0 222.332 0.520 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N(C)C ZINC000170914444 640937846 /nfs/dbraw/zinc/93/78/46/640937846.db2.gz KQUUDDYVKWZQPY-VIFPVBQESA-N 2 0 200.330 0.593 20 30 BCEDRP C#CCN(CC)C[C@H](O)C[NH+]1CCCC1 ZINC000920096044 642434637 /nfs/dbraw/zinc/43/46/37/642434637.db2.gz UUDROTFGMTXVDF-LBPRGKRZSA-N 2 0 210.321 0.398 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305803921 642699277 /nfs/dbraw/zinc/69/92/77/642699277.db2.gz FPAHGUGTSNOPAM-JTQLQIEISA-N 2 0 224.352 0.737 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969074597 642823321 /nfs/dbraw/zinc/82/33/21/642823321.db2.gz KLBARDGRUSLNQU-VXGBXAGGSA-N 2 0 237.347 0.150 20 30 BCEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370605 642862518 /nfs/dbraw/zinc/86/25/18/642862518.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 2 0 237.347 0.457 20 30 BCEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370607 642863033 /nfs/dbraw/zinc/86/30/33/642863033.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 2 0 237.347 0.457 20 30 BCEDRP CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000181464751 642875089 /nfs/dbraw/zinc/87/50/89/642875089.db2.gz SDOJEFBGYCGQKB-VIFPVBQESA-N 2 0 210.325 0.347 20 30 BCEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015995433 642941293 /nfs/dbraw/zinc/94/12/93/642941293.db2.gz VBTRMJHBKSOJDE-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018629020 643004038 /nfs/dbraw/zinc/00/40/38/643004038.db2.gz XLYFVHINFPCGFV-RYUDHWBXSA-N 2 0 237.347 0.457 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020588452 643219683 /nfs/dbraw/zinc/21/96/83/643219683.db2.gz BDUVJMJHQDGDBY-AVGNSLFASA-N 2 0 249.358 0.198 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969949196 643255247 /nfs/dbraw/zinc/25/52/47/643255247.db2.gz OJRGJZGOMAXWDB-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969960734 643256451 /nfs/dbraw/zinc/25/64/51/643256451.db2.gz VLQAHVLQZPJDFY-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047746 643394688 /nfs/dbraw/zinc/39/46/88/643394688.db2.gz NGTPTWDPXLOCGJ-SRVKXCTJSA-N 2 0 237.347 0.361 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719639 643514075 /nfs/dbraw/zinc/51/40/75/643514075.db2.gz KENNUTKZCNTHOO-GFCCVEGCSA-N 2 0 237.347 0.459 20 30 BCEDRP CCNC(NC[C@H]1CCC[N@@H+]1C)=[NH+]CC ZINC000303256286 643577581 /nfs/dbraw/zinc/57/75/81/643577581.db2.gz HUQYHNRRNJZWIP-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000922156159 643875700 /nfs/dbraw/zinc/87/57/00/643875700.db2.gz LCNONTCGELYSQT-GFCCVEGCSA-N 2 0 239.363 0.705 20 30 BCEDRP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923285398 644317454 /nfs/dbraw/zinc/31/74/54/644317454.db2.gz BFWAGOFNJBQTQB-GFCCVEGCSA-N 2 0 212.337 0.997 20 30 BCEDRP N#Cc1cc(Cl)cc(CNC(C[NH3+])C[NH3+])c1 ZINC000923357371 644363834 /nfs/dbraw/zinc/36/38/34/644363834.db2.gz YHJXQKLZQCDHEN-UHFFFAOYSA-N 2 0 238.722 0.587 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378973 644391293 /nfs/dbraw/zinc/39/12/93/644391293.db2.gz MFMHEUQWKKMUJT-RYUDHWBXSA-N 2 0 228.336 0.363 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411751 644415151 /nfs/dbraw/zinc/41/51/51/644415151.db2.gz RKAGFGQXRHSQMV-TUAOUCFPSA-N 2 0 212.337 0.840 20 30 BCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482396 644460142 /nfs/dbraw/zinc/46/01/42/644460142.db2.gz ZKTNZYLYQJPXBF-NWDGAFQWSA-N 2 0 237.347 0.444 20 30 BCEDRP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923515607 644481495 /nfs/dbraw/zinc/48/14/95/644481495.db2.gz BXFHKIZRXHHTBZ-IJLUTSLNSA-N 2 0 237.347 0.300 20 30 BCEDRP CNC(NC[C@@H](C)C[NH+]1CCCCC1)=[NH+]C ZINC000303255763 644812951 /nfs/dbraw/zinc/81/29/51/644812951.db2.gz GVTDGAZFBXQPQZ-LLVKDONJSA-N 2 0 226.368 0.903 20 30 BCEDRP CNC(NC[C@@H](C)[NH+]1CCC(C)CC1)=[NH+]C ZINC000303265098 644814020 /nfs/dbraw/zinc/81/40/20/644814020.db2.gz TZIRRPPBHAODOO-LLVKDONJSA-N 2 0 226.368 0.902 20 30 BCEDRP CNC(NCC[N@@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303268643 644815066 /nfs/dbraw/zinc/81/50/66/644815066.db2.gz ZBNOLUCXLKRPSA-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP CCNC(NCCC[NH+](C)C)=[NH+]CC ZINC000303268988 644815776 /nfs/dbraw/zinc/81/57/76/644815776.db2.gz ZJLOQIPNQJRGSW-UHFFFAOYSA-N 2 0 200.330 0.513 20 30 BCEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCSCC1 ZINC000303691085 644839150 /nfs/dbraw/zinc/83/91/50/644839150.db2.gz AFLGSJFWOPXPQG-UHFFFAOYSA-N 2 0 244.408 0.692 20 30 BCEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+](C)C)C1 ZINC000303717171 644840021 /nfs/dbraw/zinc/84/00/21/644840021.db2.gz TYQXGHUNJHTRDO-LLVKDONJSA-N 2 0 226.368 0.985 20 30 BCEDRP CCOCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303785692 644846772 /nfs/dbraw/zinc/84/67/72/644846772.db2.gz QOLORMYRZWEWFU-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP COCC[N@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000303897243 644855748 /nfs/dbraw/zinc/85/57/48/644855748.db2.gz QJDUKYRFQKSHBK-UHFFFAOYSA-N 2 0 244.383 0.658 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303896058 644856381 /nfs/dbraw/zinc/85/63/81/644856381.db2.gz UDWVNWMWCBMFKT-GXSJLCMTSA-N 2 0 242.367 0.266 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303979812 644860977 /nfs/dbraw/zinc/86/09/77/644860977.db2.gz NOEQGRNJYMFPSE-UHFFFAOYSA-N 2 0 212.341 0.807 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCOCC1 ZINC000304759151 644930776 /nfs/dbraw/zinc/93/07/76/644930776.db2.gz QVFCBRJAZHSGNU-UHFFFAOYSA-N 2 0 228.340 0.021 20 30 BCEDRP CNC(NC[C@@H]1[N@H+](C)CCCC1(C)C)=[NH+]C ZINC000849023763 645446796 /nfs/dbraw/zinc/44/67/96/645446796.db2.gz DNIKLIRVRIRZFZ-JTQLQIEISA-N 2 0 226.368 0.902 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928550758 645807629 /nfs/dbraw/zinc/80/76/29/645807629.db2.gz IQROFDSBEJWCQE-LLVKDONJSA-N 2 0 225.336 0.315 20 30 BCEDRP C[NH+](C)CC1(O)CC[NH+](CCCC#N)CC1 ZINC000710642682 712264448 /nfs/dbraw/zinc/26/44/48/712264448.db2.gz QUWQGIWJZHHFSP-UHFFFAOYSA-N 2 0 225.336 0.679 20 30 BCEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000714994989 712503011 /nfs/dbraw/zinc/50/30/11/712503011.db2.gz DLDQKNKPXJUJFO-VXGBXAGGSA-N 2 0 239.363 0.738 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000104191726 711575371 /nfs/dbraw/zinc/57/53/71/711575371.db2.gz RQTXNBRXTFDORC-SNVBAGLBSA-N 2 0 230.356 0.266 20 30 BCEDRP C=CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130477 711904419 /nfs/dbraw/zinc/90/44/19/711904419.db2.gz RWVNLSWPRJJRFR-UHFFFAOYSA-N 2 0 249.358 0.316 20 30 BCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033705398 712014406 /nfs/dbraw/zinc/01/44/06/712014406.db2.gz GRVXINWHQKHBPY-GFCCVEGCSA-N 2 0 248.330 0.602 20 30 BCEDRP C#CC1(O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000708087546 712180910 /nfs/dbraw/zinc/18/09/10/712180910.db2.gz IHTDGGMGTXTBAE-UHFFFAOYSA-N 2 0 236.359 0.788 20 30 BCEDRP C=CC[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000714996639 712503401 /nfs/dbraw/zinc/50/34/01/712503401.db2.gz SKBGLRUBSFSQRK-QWHCGFSZSA-N 2 0 223.364 0.931 20 30 BCEDRP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000717840515 712691336 /nfs/dbraw/zinc/69/13/36/712691336.db2.gz IALSKDMUIUYDHR-JHJVBQTASA-N 2 0 222.332 0.587 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649323537 398144710 /nfs/dbraw/zinc/14/47/10/398144710.db2.gz BGKRJXFLIWVKBN-RTXFEEFZSA-N 2 0 249.358 0.503 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000237308431 136212489 /nfs/dbraw/zinc/21/24/89/136212489.db2.gz RBPVPDHZQXQJMB-NSHDSACASA-N 2 0 239.363 0.609 20 30 BCEDRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[NH2+]1 ZINC000602554713 349596283 /nfs/dbraw/zinc/59/62/83/349596283.db2.gz OEKSKGXCTZAHRB-MXWKQRLJSA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602595616 349643977 /nfs/dbraw/zinc/64/39/77/349643977.db2.gz IYKNDSHLPIIRKA-OUAUKWLOSA-N 2 0 238.335 0.346 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000248516752 323023921 /nfs/dbraw/zinc/02/39/21/323023921.db2.gz OYTPEVKRVUOEEK-QJPTWQEYSA-N 2 0 212.337 0.996 20 30 BCEDRP C[N@H+](CCCCNC1=[NH+]CCCN1)C1CC1 ZINC000569867723 323043470 /nfs/dbraw/zinc/04/34/70/323043470.db2.gz MNVKYSDQODYLDS-UHFFFAOYSA-N 2 0 224.352 0.800 20 30 BCEDRP C#CCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363472910 344135048 /nfs/dbraw/zinc/13/50/48/344135048.db2.gz VYFVZODSZHCNRR-HNNXBMFYSA-N 2 0 249.402 0.969 20 30 BCEDRP C=CC[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000131675733 344234152 /nfs/dbraw/zinc/23/41/52/344234152.db2.gz PJMOLKZXDYICQH-UHFFFAOYSA-N 2 0 209.337 0.542 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CCC[NH3+])CC1 ZINC000237909745 344929270 /nfs/dbraw/zinc/92/92/70/344929270.db2.gz ZZNLAPOKBSFNML-UHFFFAOYSA-N 2 0 225.336 0.492 20 30 BCEDRP N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867410 345687957 /nfs/dbraw/zinc/68/79/57/345687957.db2.gz FCWQDBXPCUQQPR-WISYIIOYSA-N 2 0 205.305 0.830 20 30 BCEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC#N)C2)CC1 ZINC000591736677 347694931 /nfs/dbraw/zinc/69/49/31/347694931.db2.gz DWUISFVEMQYXCO-LBPRGKRZSA-N 2 0 236.363 0.658 20 30 BCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426937 348043865 /nfs/dbraw/zinc/04/38/65/348043865.db2.gz RXMZYWYWTAUQNB-GHMZBOCLSA-N 2 0 240.351 0.497 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000594427976 348044816 /nfs/dbraw/zinc/04/48/16/348044816.db2.gz YQRJCQBYFXFLJY-GHMZBOCLSA-N 2 0 238.335 0.266 20 30 BCEDRP CC[NH2+]CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425152 348051578 /nfs/dbraw/zinc/05/15/78/348051578.db2.gz KDONHLCZSJCCCG-NSHDSACASA-N 2 0 240.351 0.513 20 30 BCEDRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425684 348052213 /nfs/dbraw/zinc/05/22/13/348052213.db2.gz LXOBMNNUISJFQR-SNVBAGLBSA-N 2 0 226.324 0.123 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000594426651 348052800 /nfs/dbraw/zinc/05/28/00/348052800.db2.gz QMCXMFKZERSYEJ-QWRGUYRKSA-N 2 0 238.335 0.266 20 30 BCEDRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444414 348055585 /nfs/dbraw/zinc/05/55/85/348055585.db2.gz RMPJDKISRZYBLZ-ZJUUUORDSA-N 2 0 226.324 0.251 20 30 BCEDRP C[NH+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444598 348055634 /nfs/dbraw/zinc/05/56/34/348055634.db2.gz VESBZRCGOLMHTE-SNVBAGLBSA-N 2 0 226.324 0.075 20 30 BCEDRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444286 348055819 /nfs/dbraw/zinc/05/58/19/348055819.db2.gz NVFKRFIMUDRRLQ-LPEHRKFASA-N 2 0 226.324 0.250 20 30 BCEDRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000595951994 348403474 /nfs/dbraw/zinc/40/34/74/348403474.db2.gz VHLNABUEKGTKHU-GHMZBOCLSA-N 2 0 240.351 0.497 20 30 BCEDRP CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000598586688 348995702 /nfs/dbraw/zinc/99/57/02/348995702.db2.gz WPBADMCSOINVKT-TUAOUCFPSA-N 2 0 237.347 0.438 20 30 BCEDRP CC(C)(C#N)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000598586689 348995807 /nfs/dbraw/zinc/99/58/07/348995807.db2.gz WPBADMCSOINVKT-UTUOFQBUSA-N 2 0 237.347 0.438 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCCNc2ccccn2)N1 ZINC000285091216 352021393 /nfs/dbraw/zinc/02/13/93/352021393.db2.gz NWKQZIZRXHDJAL-SNVBAGLBSA-N 2 0 233.319 0.821 20 30 BCEDRP N#Cc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083373027 181137750 /nfs/dbraw/zinc/13/77/50/181137750.db2.gz IPVFJZCVHAQWQZ-UHFFFAOYSA-N 2 0 244.342 0.553 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246432462 359084570 /nfs/dbraw/zinc/08/45/70/359084570.db2.gz VNLIFQQOXLTMPQ-NEPJUHHUSA-N 2 0 239.363 0.561 20 30 BCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424078701 192860748 /nfs/dbraw/zinc/86/07/48/192860748.db2.gz QGOOXPYOIBDAGL-NXEZZACHSA-N 2 0 226.324 0.107 20 30 BCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424078820 192860845 /nfs/dbraw/zinc/86/08/45/192860845.db2.gz QGOOXPYOIBDAGL-VHSXEESVSA-N 2 0 226.324 0.107 20 30 BCEDRP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584817 361473566 /nfs/dbraw/zinc/47/35/66/361473566.db2.gz URAAAOPXXPLHOX-STQMWFEESA-N 2 0 242.363 0.217 20 30 BCEDRP C=CCNC(=O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180033506 541506713 /nfs/dbraw/zinc/50/67/13/541506713.db2.gz ZASWJWORFLACRV-MNOVXSKESA-N 2 0 225.336 0.361 20 30 BCEDRP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000382047700 367481992 /nfs/dbraw/zinc/48/19/92/367481992.db2.gz CKEBEVRSELNVCA-OLZOCXBDSA-N 2 0 223.364 0.481 20 30 BCEDRP C=CCC[C@H](CC)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000581937846 367964039 /nfs/dbraw/zinc/96/40/39/367964039.db2.gz XHFOSOQKAZYHNF-LBPRGKRZSA-N 2 0 239.363 0.753 20 30 BCEDRP N#Cc1ccc(CNC[C@@H]2C[NH2+]CCCO2)o1 ZINC000600769558 369563685 /nfs/dbraw/zinc/56/36/85/369563685.db2.gz ORNJLHRMUUSUAY-LBPRGKRZSA-N 2 0 235.287 0.619 20 30 BCEDRP N#Cc1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000602495443 369795938 /nfs/dbraw/zinc/79/59/38/369795938.db2.gz UTQMIIZGRBZPCO-PHIMTYICSA-N 2 0 228.299 0.604 20 30 BCEDRP CN(Cc1cccc(C#N)c1)C[C@@H](O)C[NH3+] ZINC000061950769 369892414 /nfs/dbraw/zinc/89/24/14/369892414.db2.gz QPXAKGZXNNMEIY-LBPRGKRZSA-N 2 0 219.288 0.310 20 30 BCEDRP Cc1cc(NC[C@@H]2CSCC[NH2+]2)c(C#N)cn1 ZINC000603419029 369960439 /nfs/dbraw/zinc/96/04/39/369960439.db2.gz LMRYOCNOUPVJDO-LLVKDONJSA-N 2 0 248.355 0.801 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000621703421 370451584 /nfs/dbraw/zinc/45/15/84/370451584.db2.gz VMXVWPVKKGNFFG-CMPLNLGQSA-N 2 0 225.336 0.538 20 30 BCEDRP C[N@H+](CCCC#N)CCCN1CC[NH+](C)CC1 ZINC000174723795 384354629 /nfs/dbraw/zinc/35/46/29/384354629.db2.gz YJUQVOQYXQDWCX-UHFFFAOYSA-N 2 0 238.379 0.859 20 30 BCEDRP C=CC[C@H](CO)C[NH2+]C1CCN(C)CC1 ZINC000308910603 385283868 /nfs/dbraw/zinc/28/38/68/385283868.db2.gz DPWUBBICKMYCKZ-NSHDSACASA-N 2 0 212.337 0.855 20 30 BCEDRP CN1CCO[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913297 385456660 /nfs/dbraw/zinc/45/66/60/385456660.db2.gz UFAPPHRTIOOQGQ-SNVBAGLBSA-N 2 0 249.318 0.139 20 30 BCEDRP C#CCNC(NC[C@H](C1CC1)[NH+](C)C)=[NH+]C ZINC000262611031 533140541 /nfs/dbraw/zinc/14/05/41/533140541.db2.gz JFVQTKRWKAOOPY-LLVKDONJSA-N 2 0 222.336 0.125 20 30 BCEDRP C#CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261776028 533141281 /nfs/dbraw/zinc/14/12/81/533141281.db2.gz OROZZOZUHQWLHH-CMPLNLGQSA-N 2 0 234.347 0.267 20 30 BCEDRP C#CCNC(NC[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262643948 533143087 /nfs/dbraw/zinc/14/30/87/533143087.db2.gz QMRWJJPGAVRDAQ-GFCCVEGCSA-N 2 0 248.374 0.659 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423392566 387279334 /nfs/dbraw/zinc/27/93/34/387279334.db2.gz XSQFPMZZYNYBEX-UHFFFAOYSA-N 2 0 237.347 0.363 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000424079661 387479891 /nfs/dbraw/zinc/47/98/91/387479891.db2.gz RMKJWYLNJDAHNR-VWYCJHECSA-N 2 0 238.335 0.251 20 30 BCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424151027 387792785 /nfs/dbraw/zinc/79/27/85/387792785.db2.gz FESXIBHVRFNBDP-AXFHLTTASA-N 2 0 238.335 0.216 20 30 BCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000424383389 388001545 /nfs/dbraw/zinc/00/15/45/388001545.db2.gz TXVFCXRTNDWWQP-XQQFMLRXSA-N 2 0 242.363 0.921 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N(CC)CC ZINC000491496760 388299306 /nfs/dbraw/zinc/29/93/06/388299306.db2.gz STJMEQVUAPEWEL-UHFFFAOYSA-N 2 0 224.352 0.808 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CCC[NH2+]C)CC1 ZINC000237151397 134511694 /nfs/dbraw/zinc/51/16/94/134511694.db2.gz CJFAJSHPMIZPLM-UHFFFAOYSA-N 2 0 239.363 0.753 20 30 BCEDRP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[N@H+](C)C1CC1 ZINC000261538356 135175370 /nfs/dbraw/zinc/17/53/70/135175370.db2.gz XVBYDHJRKHJZES-IUCAKERBSA-N 2 0 210.325 0.406 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559711 135200211 /nfs/dbraw/zinc/20/02/11/135200211.db2.gz TZIUQACDXBXONG-DGCLKSJQSA-N 2 0 237.347 0.363 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562981 135205021 /nfs/dbraw/zinc/20/50/21/135205021.db2.gz WUDZZRFANDOYLR-TUAOUCFPSA-N 2 0 237.347 0.361 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514368 135226463 /nfs/dbraw/zinc/22/64/63/135226463.db2.gz MBCIIRIDEQZLCI-SNVBAGLBSA-N 2 0 225.336 0.348 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261996059 135270666 /nfs/dbraw/zinc/27/06/66/135270666.db2.gz NUHSJYHHIKHMLZ-LLVKDONJSA-N 2 0 236.363 0.951 20 30 BCEDRP CC(C)NC(=[NH2+])NCCN1CCOCC1(C)C ZINC000262026882 135273882 /nfs/dbraw/zinc/27/38/82/135273882.db2.gz ZUJUJFSNCWRKFF-UHFFFAOYSA-N 2 0 242.367 0.410 20 30 BCEDRP CN1CC[NH+]=C1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000262419834 135296108 /nfs/dbraw/zinc/29/61/08/135296108.db2.gz BBCXWUJCZJFCRJ-LBPRGKRZSA-N 2 0 236.363 0.894 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262639557 135310334 /nfs/dbraw/zinc/31/03/34/135310334.db2.gz HKUPQSKOSOKYDM-QWRGUYRKSA-N 2 0 224.352 0.798 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCNc2cc[nH+]cc2)N1 ZINC000262637372 135310503 /nfs/dbraw/zinc/31/05/03/135310503.db2.gz HBOPNDPSSDSAPP-VIFPVBQESA-N 2 0 219.292 0.431 20 30 BCEDRP CC[NH+](CC)CCOCCNC1=[NH+]C[C@H](C)N1 ZINC000262634688 135310574 /nfs/dbraw/zinc/31/05/74/135310574.db2.gz GMUNJHAVGPUFHR-NSHDSACASA-N 2 0 242.367 0.282 20 30 BCEDRP C[C@H]1C[NH+]=C(NC2CC([NH+]3CCCCC3)C2)N1 ZINC000262654339 135311444 /nfs/dbraw/zinc/31/14/44/135311444.db2.gz LFTRNTWULIESSO-UNXYVOJBSA-N 2 0 236.363 0.941 20 30 BCEDRP C[C@H](CNC1=[NH+]CCN1C)[NH+]1CCC(C)CC1 ZINC000262675367 135313350 /nfs/dbraw/zinc/31/33/50/135313350.db2.gz SYVOUMUSSXTSKL-GFCCVEGCSA-N 2 0 238.379 0.998 20 30 BCEDRP C=CC[C@]1(C(=O)NCCC[NH2+]C)CCC[NH2+]1 ZINC000662397450 487597770 /nfs/dbraw/zinc/59/77/70/487597770.db2.gz DTBQIEVEXLTPNY-GFCCVEGCSA-N 2 0 225.336 0.410 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662415070 487604153 /nfs/dbraw/zinc/60/41/53/487604153.db2.gz MLTJJVYKFAGUIU-WCQYABFASA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000662778155 409898413 /nfs/dbraw/zinc/89/84/13/409898413.db2.gz DYDHAEXEPFJTRC-WGBDABJCSA-N 2 0 235.331 0.019 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662449362 412179614 /nfs/dbraw/zinc/17/96/14/412179614.db2.gz ZIYFYFWYYASPAS-LBPRGKRZSA-N 2 0 239.363 0.751 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662394936 412144505 /nfs/dbraw/zinc/14/45/05/412144505.db2.gz GQWSFQRRMVIXCV-YPMHNXCESA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662417708 412159420 /nfs/dbraw/zinc/15/94/20/412159420.db2.gz JJBDJOIHWLNZLL-AAEUAGOBSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)CC[NH3+])CCC[NH2+]1 ZINC000662815982 412308618 /nfs/dbraw/zinc/30/86/18/412308618.db2.gz VZGJQCHJQUVFDT-NSHDSACASA-N 2 0 211.309 0.102 20 30 BCEDRP C=CC[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000662917829 412344668 /nfs/dbraw/zinc/34/46/68/412344668.db2.gz AEQZIZYCHHGQAR-UXUKBGGZSA-N 2 0 249.358 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000662758073 412292657 /nfs/dbraw/zinc/29/26/57/412292657.db2.gz QQGALMVUHPVVJB-ZYHUDNBSSA-N 2 0 225.336 0.396 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[NH+](C)C)CCC[NH2+]1 ZINC000662782463 412300735 /nfs/dbraw/zinc/30/07/35/412300735.db2.gz ZQNKMPYTLAGJMV-LBPRGKRZSA-N 2 0 225.336 0.363 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000662785244 412302038 /nfs/dbraw/zinc/30/20/38/412302038.db2.gz UPEHDEKIHWKNCO-DGCLKSJQSA-N 2 0 239.363 0.928 20 30 BCEDRP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978871 176376409 /nfs/dbraw/zinc/37/64/09/176376409.db2.gz OGQWYPPVMJVPHE-MNOVXSKESA-N 2 0 248.334 0.222 20 30 BCEDRP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978873 177370752 /nfs/dbraw/zinc/37/07/52/177370752.db2.gz OGQWYPPVMJVPHE-WDEREUQCSA-N 2 0 248.334 0.222 20 30 BCEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000566244627 322979178 /nfs/dbraw/zinc/97/91/78/322979178.db2.gz GOUBMHGPLYFUOQ-LBPRGKRZSA-N 2 0 237.347 0.444 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000248516750 323023929 /nfs/dbraw/zinc/02/39/29/323023929.db2.gz OYTPEVKRVUOEEK-GRYCIOLGSA-N 2 0 212.337 0.996 20 30 BCEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000563528308 323129181 /nfs/dbraw/zinc/12/91/81/323129181.db2.gz XDAFOOJRHKKANI-NEPJUHHUSA-N 2 0 239.363 0.609 20 30 BCEDRP CCN1CC[NH+](CCCC[NH2+]CCC#N)CC1 ZINC000571634553 323150076 /nfs/dbraw/zinc/15/00/76/323150076.db2.gz VKKVAFFEHSLXJB-UHFFFAOYSA-N 2 0 238.379 0.907 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC000491508166 488033606 /nfs/dbraw/zinc/03/36/06/488033606.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 2 0 237.347 0.152 20 30 BCEDRP COCC#CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000677817333 491138520 /nfs/dbraw/zinc/13/85/20/491138520.db2.gz KCTJLWJAEPIHHQ-LBPRGKRZSA-N 2 0 210.321 0.520 20 30 BCEDRP C#CC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000491045791 526802993 /nfs/dbraw/zinc/80/29/93/526802993.db2.gz MYRHULQZVGVCNQ-UHFFFAOYSA-N 2 0 237.391 0.968 20 30 BCEDRP CCC[N@H+](CC)CCNC1=[NH+]CCN1C ZINC000261538599 535297432 /nfs/dbraw/zinc/29/74/32/535297432.db2.gz YRXWQTBSTMPPIV-UHFFFAOYSA-N 2 0 212.341 0.609 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC1=[NH+]CCN1C ZINC000261530926 535549099 /nfs/dbraw/zinc/54/90/99/535549099.db2.gz DNKLPAKNXHHQAQ-SNVBAGLBSA-N 2 0 212.341 0.608 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000261993096 535549389 /nfs/dbraw/zinc/54/93/89/535549389.db2.gz MXHSKQOVQANACJ-HBNTYKKESA-N 2 0 224.352 0.783 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066221 535597762 /nfs/dbraw/zinc/59/77/62/535597762.db2.gz OEKPPOGDSNGSLO-QWRGUYRKSA-N 2 0 236.363 0.928 20 30 BCEDRP CN(C(=[NH2+])NCC1([NH+](C)C)CCC1)C1CC1 ZINC000262820568 536111996 /nfs/dbraw/zinc/11/19/96/536111996.db2.gz WWIHYMQCCMNERJ-UHFFFAOYSA-N 2 0 224.352 0.880 20 30 BCEDRP CNC(NCCCC[N@H+](C)C1CC1)=[NH+]C ZINC000849039542 582838447 /nfs/dbraw/zinc/83/84/47/582838447.db2.gz DZGPDCRTRHMDOH-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880140891 583472888 /nfs/dbraw/zinc/47/28/88/583472888.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH+]1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000895810789 583730098 /nfs/dbraw/zinc/73/00/98/583730098.db2.gz KKAXRFGVXZQURS-UHFFFAOYSA-N 2 0 245.326 0.505 20 30 BCEDRP C=CC[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903905353 584820962 /nfs/dbraw/zinc/82/09/62/584820962.db2.gz CSLRFTACHKVJQC-LBPRGKRZSA-N 2 0 236.363 0.964 20 30 BCEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000743489393 585137538 /nfs/dbraw/zinc/13/75/38/585137538.db2.gz GTYVRURXJRMNIS-UHFFFAOYSA-N 2 0 237.347 0.152 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754795130 585290815 /nfs/dbraw/zinc/29/08/15/585290815.db2.gz LQQLCEMVWYVXTB-CHWSQXEVSA-N 2 0 249.358 0.342 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754795145 585290944 /nfs/dbraw/zinc/29/09/44/585290944.db2.gz LQQLCEMVWYVXTB-STQMWFEESA-N 2 0 249.358 0.342 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000764472920 585466338 /nfs/dbraw/zinc/46/63/38/585466338.db2.gz VZZLTFCURXIWQZ-GFCCVEGCSA-N 2 0 239.363 0.657 20 30 BCEDRP CC(=[NH+]n1cnnc1)C1CC[NH+](C)CC1 ZINC000814682255 586629129 /nfs/dbraw/zinc/62/91/29/586629129.db2.gz HEGYTLRMIUGVOO-UHFFFAOYSA-N 2 0 207.281 0.844 20 30 BCEDRP CC(=NNC1=[NH+][C@H](C)CN1)C1CC[NH+](C)CC1 ZINC000814897555 586645656 /nfs/dbraw/zinc/64/56/56/586645656.db2.gz LJABQIREBQCLIL-SECBINFHSA-N 2 0 237.351 0.641 20 30 BCEDRP NC(=[NH2+])N=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848405032 588378246 /nfs/dbraw/zinc/37/82/46/588378246.db2.gz XEQTZMASKNURHO-SECBINFHSA-N 2 0 209.297 0.474 20 30 BCEDRP C[NH+]=C(NC[C@@H](C)[N@H+](C)C1CC1)NC1CC1 ZINC000849001684 588431290 /nfs/dbraw/zinc/43/12/90/588431290.db2.gz QPFATIVERPNBAY-SECBINFHSA-N 2 0 224.352 0.797 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C#N ZINC000849003860 588431771 /nfs/dbraw/zinc/43/17/71/588431771.db2.gz KHROODVZFNARNW-QWRGUYRKSA-N 2 0 237.351 0.744 20 30 BCEDRP CNC(NCc1ccc2c[nH+]cn2c1)=[NH+]C ZINC000849040327 588447524 /nfs/dbraw/zinc/44/75/24/588447524.db2.gz UBFIQDDWZOTERX-UHFFFAOYSA-N 2 0 217.276 0.629 20 30 BCEDRP [NH3+]C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852793443 588703209 /nfs/dbraw/zinc/70/32/09/588703209.db2.gz AUXBESPSRSDCDC-ZDUSSCGKSA-N 2 0 249.358 0.187 20 30 BCEDRP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852799006 588704043 /nfs/dbraw/zinc/70/40/43/588704043.db2.gz PSISFSIECAPLBW-WCQYABFASA-N 2 0 249.358 0.185 20 30 BCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862113 588709053 /nfs/dbraw/zinc/70/90/53/588709053.db2.gz TUPXCXIKGZSFEP-CYBMUJFWSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852875214 588710164 /nfs/dbraw/zinc/71/01/64/588710164.db2.gz SYPWVODDUXXURW-WCQYABFASA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878106 588710358 /nfs/dbraw/zinc/71/03/58/588710358.db2.gz IASQJYBNGYWRLM-AAEUAGOBSA-N 2 0 249.358 0.246 20 30 BCEDRP C[C@]1(C[NH3+])CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852877411 588710508 /nfs/dbraw/zinc/71/05/08/588710508.db2.gz HBCVCPSDJGHKNC-CQSZACIVSA-N 2 0 249.358 0.187 20 30 BCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852878050 588710544 /nfs/dbraw/zinc/71/05/44/588710544.db2.gz GJHJEONJCUOALV-NWDGAFQWSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852878381 588710813 /nfs/dbraw/zinc/71/08/13/588710813.db2.gz JLHXVNRGZUTKIA-YPMHNXCESA-N 2 0 249.358 0.104 20 30 BCEDRP C[C@H](CCC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880680 588710874 /nfs/dbraw/zinc/71/08/74/588710874.db2.gz DCRNADBFYBFQTJ-LLVKDONJSA-N 2 0 237.347 0.233 20 30 BCEDRP CC(C)(CC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852892281 588711879 /nfs/dbraw/zinc/71/18/79/588711879.db2.gz COKVVQBSYASXSS-UHFFFAOYSA-N 2 0 237.347 0.233 20 30 BCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153429 589885361 /nfs/dbraw/zinc/88/53/61/589885361.db2.gz ABNKNENJHSDVED-OUCADQQQSA-N 2 0 249.358 0.315 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000876531914 590206751 /nfs/dbraw/zinc/20/67/51/590206751.db2.gz STZBKTVDKOHLIX-JGVFFNPUSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876504647 590204262 /nfs/dbraw/zinc/20/42/62/590204262.db2.gz RQXNCGWVGKMNNK-IUCAKERBSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508098 590204949 /nfs/dbraw/zinc/20/49/49/590204949.db2.gz IIWCSRALKPQOML-RKDXNWHRSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000876510730 590205486 /nfs/dbraw/zinc/20/54/86/590205486.db2.gz ZBEULKYXFDDNPI-SNVBAGLBSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876513257 590205923 /nfs/dbraw/zinc/20/59/23/590205923.db2.gz JFLKXDMRSAJDMR-ZJUUUORDSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514782 590206485 /nfs/dbraw/zinc/20/64/85/590206485.db2.gz ZKOZMCGYQKBLAC-NXEZZACHSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000876531916 590207019 /nfs/dbraw/zinc/20/70/19/590207019.db2.gz STZBKTVDKOHLIX-YUMQZZPRSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525658 590208463 /nfs/dbraw/zinc/20/84/63/590208463.db2.gz MSGFNULSZXRXBH-NXEZZACHSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000876524965 590208506 /nfs/dbraw/zinc/20/85/06/590208506.db2.gz YCRINEYETRSBKG-SNVBAGLBSA-N 2 0 247.770 0.961 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000876529323 590209675 /nfs/dbraw/zinc/20/96/75/590209675.db2.gz GCEUFISJHRKPER-RKDXNWHRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876529078 590209749 /nfs/dbraw/zinc/20/97/49/590209749.db2.gz DZMOKDMMUPTJDL-GXSJLCMTSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000876713628 590232632 /nfs/dbraw/zinc/23/26/32/590232632.db2.gz SASDSFDWMCLOHW-JTQLQIEISA-N 2 0 245.754 0.668 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1nccn1C ZINC000876753752 590237849 /nfs/dbraw/zinc/23/78/49/590237849.db2.gz NUIKFJODNNTNHU-QMMMGPOBSA-N 2 0 242.710 0.506 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000876794913 590239755 /nfs/dbraw/zinc/23/97/55/590239755.db2.gz BVQBSFSDFDZRRX-BBBLOLIVSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792253 590241982 /nfs/dbraw/zinc/24/19/82/590241982.db2.gz VAHVVYCWPMLJEL-BDAKNGLRSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000876831401 590247527 /nfs/dbraw/zinc/24/75/27/590247527.db2.gz ZJDKKUZQYJQXKL-HGNGGELXSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000876860663 590250572 /nfs/dbraw/zinc/25/05/72/590250572.db2.gz GWVAVGMGYASXJO-CSMHCCOUSA-N 2 0 219.716 0.308 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000876861537 590250907 /nfs/dbraw/zinc/25/09/07/590250907.db2.gz BOKAIMWRHPSKJQ-AMDVSUOASA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000876869354 590251239 /nfs/dbraw/zinc/25/12/39/590251239.db2.gz DTUBAEAYBJLOLJ-UTLUCORTSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872430 590251801 /nfs/dbraw/zinc/25/18/01/590251801.db2.gz ZECPZAUARAVKJJ-UTLUCORTSA-N 2 0 243.738 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000876922033 590257410 /nfs/dbraw/zinc/25/74/10/590257410.db2.gz PRJNAGYFPVAWIB-SECBINFHSA-N 2 0 233.743 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000876935340 590258150 /nfs/dbraw/zinc/25/81/50/590258150.db2.gz RQOMSRFOLCVFFH-HLTSFMKQSA-N 2 0 233.743 0.698 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967062 590262567 /nfs/dbraw/zinc/26/25/67/590262567.db2.gz BGMYCPBDUAMZLT-INWMGODYSA-N 2 0 243.738 0.406 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH2+]C ZINC000876977699 590264075 /nfs/dbraw/zinc/26/40/75/590264075.db2.gz BEVCYGJDGMJZIX-SFYZADRCSA-N 2 0 219.716 0.180 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107729 590285877 /nfs/dbraw/zinc/28/58/77/590285877.db2.gz KSCFJGFMRAGURD-HTQZYQBOSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000877173012 590294186 /nfs/dbraw/zinc/29/41/86/590294186.db2.gz WWEBCZOYUBFTMS-YIZRAAEISA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171587 590296366 /nfs/dbraw/zinc/29/63/66/590296366.db2.gz CCPNEAWZPUTYDJ-AEJSXWLSSA-N 2 0 243.738 0.419 20 30 BCEDRP C=CC(C)(C)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000884041884 591823760 /nfs/dbraw/zinc/82/37/60/591823760.db2.gz KABQJECZZCDRLO-NSHDSACASA-N 2 0 239.363 0.690 20 30 BCEDRP C#CCN(C(=O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886582118 592269477 /nfs/dbraw/zinc/26/94/77/592269477.db2.gz GSQWMYCOGOHVEQ-UHFFFAOYSA-N 2 0 237.347 0.104 20 30 BCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000104172199 634566411 /nfs/dbraw/zinc/56/64/11/634566411.db2.gz SIJZQJKSZWNFKK-NSHDSACASA-N 2 0 242.367 0.269 20 30 BCEDRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000104172179 634567043 /nfs/dbraw/zinc/56/70/43/634567043.db2.gz DDVMUHMNQTWYRK-SNVBAGLBSA-N 2 0 212.341 0.643 20 30 BCEDRP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000155921203 632118039 /nfs/dbraw/zinc/11/80/39/632118039.db2.gz LSXNFYDSZQIZEL-JTQLQIEISA-N 2 0 240.351 0.021 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084318 632124800 /nfs/dbraw/zinc/12/48/00/632124800.db2.gz NGTPTWDPXLOCGJ-SDDRHHMPSA-N 2 0 237.347 0.361 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088987 632127373 /nfs/dbraw/zinc/12/73/73/632127373.db2.gz SVXZLVQQXMUMRD-TXEJJXNPSA-N 2 0 237.347 0.505 20 30 BCEDRP CNC(NC[C@@H](C)C[NH+]1CCCC1)=[NH+]C ZINC000066245612 632861090 /nfs/dbraw/zinc/86/10/90/632861090.db2.gz ZXCJDKDIBVEGKI-SNVBAGLBSA-N 2 0 212.341 0.513 20 30 BCEDRP CNC(NCCC[N@H+](C)C(C)C)=[NH+]C ZINC000066245426 632861752 /nfs/dbraw/zinc/86/17/52/632861752.db2.gz YUBUATQXUBLZMI-UHFFFAOYSA-N 2 0 200.330 0.512 20 30 BCEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)C1CC1 ZINC000066245677 632862062 /nfs/dbraw/zinc/86/20/62/632862062.db2.gz ISFKTINAKLIHLJ-JTQLQIEISA-N 2 0 210.325 0.393 20 30 BCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028981168 635860530 /nfs/dbraw/zinc/86/05/30/635860530.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 2 0 249.358 0.009 20 30 BCEDRP C#CCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229676671 632983902 /nfs/dbraw/zinc/98/39/02/632983902.db2.gz RXJGBZDJERPFFH-CYBMUJFWSA-N 2 0 224.348 0.836 20 30 BCEDRP CC[NH+](CC)CCCNC(=[NH2+])N(C)C ZINC000170905327 633176010 /nfs/dbraw/zinc/17/60/10/633176010.db2.gz XSJFTNAWIXOOFQ-UHFFFAOYSA-N 2 0 200.330 0.595 20 30 BCEDRP CCOCCCNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907787 633176869 /nfs/dbraw/zinc/17/68/69/633176869.db2.gz SBCDEXUDNSTHAF-UHFFFAOYSA-N 2 0 242.367 0.413 20 30 BCEDRP CC[N@H+](CCNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000303983228 636319597 /nfs/dbraw/zinc/31/95/97/636319597.db2.gz QXXXMYLMIHRBSL-UHFFFAOYSA-N 2 0 240.351 0.118 20 30 BCEDRP C=CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904477358 637427203 /nfs/dbraw/zinc/42/72/03/637427203.db2.gz USSSHSFVRAFRSA-LLVKDONJSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705738 639757735 /nfs/dbraw/zinc/75/77/35/639757735.db2.gz BUWZUJQXLKDASY-RYUDHWBXSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911775323 639796187 /nfs/dbraw/zinc/79/61/87/639796187.db2.gz RHIHWIYQNFIQPW-NEPJUHHUSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787737 639804994 /nfs/dbraw/zinc/80/49/94/639804994.db2.gz LHXZMQFJFUKQLA-QWRGUYRKSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911795295 639819742 /nfs/dbraw/zinc/81/97/42/639819742.db2.gz INTJBVIJENKSBK-SRVKXCTJSA-N 2 0 239.363 0.879 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911811403 639833038 /nfs/dbraw/zinc/83/30/38/639833038.db2.gz ACRSGJBIAGDUGX-UWVGGRQHSA-N 2 0 213.325 0.476 20 30 BCEDRP C#CC[NH2+]CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911841871 639848816 /nfs/dbraw/zinc/84/88/16/639848816.db2.gz UJNFWARAAFGWKI-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP C=C(C)[C@H](CO)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482636 640233665 /nfs/dbraw/zinc/23/36/65/640233665.db2.gz KAFWTACCUFXRQX-LBPRGKRZSA-N 2 0 242.363 0.312 20 30 BCEDRP C[C@@H](C#N)OCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731593 640752697 /nfs/dbraw/zinc/75/26/97/640752697.db2.gz CUTQWATVPXKEKK-RWMBFGLXSA-N 2 0 237.347 0.799 20 30 BCEDRP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000171145399 640958790 /nfs/dbraw/zinc/95/87/90/640958790.db2.gz WRGYLAOSGASVNI-SNVBAGLBSA-N 2 0 212.341 0.785 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967897146 642805193 /nfs/dbraw/zinc/80/51/93/642805193.db2.gz XLYFVHINFPCGFV-VXGBXAGGSA-N 2 0 237.347 0.457 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968924408 642822014 /nfs/dbraw/zinc/82/20/14/642822014.db2.gz GLKIESVYIXJYFL-GFCCVEGCSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370608 642860047 /nfs/dbraw/zinc/86/00/47/642860047.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 2 0 237.347 0.457 20 30 BCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010381848 642861990 /nfs/dbraw/zinc/86/19/90/642861990.db2.gz DFDURQWITNOMDZ-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010381846 642862091 /nfs/dbraw/zinc/86/20/91/642862091.db2.gz DFDURQWITNOMDZ-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000181464777 642874778 /nfs/dbraw/zinc/87/47/78/642874778.db2.gz ZWXOUTSUYNTOCQ-JTQLQIEISA-N 2 0 236.363 0.880 20 30 BCEDRP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015995434 642941402 /nfs/dbraw/zinc/94/14/02/642941402.db2.gz VBTRMJHBKSOJDE-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016259351 642955573 /nfs/dbraw/zinc/95/55/73/642955573.db2.gz PIHYOTIZLQXQBR-GFCCVEGCSA-N 2 0 237.347 0.459 20 30 BCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999831796 643742421 /nfs/dbraw/zinc/74/24/21/643742421.db2.gz LVCOZTJNNOXJFN-HIFPTAJRSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921160 643798918 /nfs/dbraw/zinc/79/89/18/643798918.db2.gz XHLHZDFVVFZLTN-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000921027 643799924 /nfs/dbraw/zinc/79/99/24/643799924.db2.gz UQJSNDSKOSISPF-ZDUSSCGKSA-N 2 0 249.358 0.296 20 30 BCEDRP C[NH+]=C(NCC1CC1)NC[C@H]1CC[N@H+](C)C1 ZINC000080520521 644273440 /nfs/dbraw/zinc/27/34/40/644273440.db2.gz IFFROZMGVMQVCN-LLVKDONJSA-N 2 0 224.352 0.513 20 30 BCEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276740 644308724 /nfs/dbraw/zinc/30/87/24/644308724.db2.gz BJQVOJFKFSBAAH-GFCCVEGCSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923332311 644351841 /nfs/dbraw/zinc/35/18/41/644351841.db2.gz KXVDLGHCKBKGAY-WUHRBBMRSA-N 2 0 224.348 0.983 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331771 644360666 /nfs/dbraw/zinc/36/06/66/644360666.db2.gz ICOQCNZZCFCRBG-QWHCGFSZSA-N 2 0 224.348 0.999 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355540 644373740 /nfs/dbraw/zinc/37/37/40/644373740.db2.gz NJGDIQXRUZEMFH-NWDGAFQWSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378971 644391931 /nfs/dbraw/zinc/39/19/31/644391931.db2.gz MFMHEUQWKKMUJT-NEPJUHHUSA-N 2 0 228.336 0.363 20 30 BCEDRP C=CCC[C@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923403082 644407962 /nfs/dbraw/zinc/40/79/62/644407962.db2.gz NTJHOCRKVZXJEH-NSHDSACASA-N 2 0 216.325 0.221 20 30 BCEDRP C=CCC[C@@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474895 644453868 /nfs/dbraw/zinc/45/38/68/644453868.db2.gz WWFGKWRZTZWCRE-VXGBXAGGSA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499125 644473103 /nfs/dbraw/zinc/47/31/03/644473103.db2.gz KCRVIUVPJWKTPH-GRYCIOLGSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958378897 644792292 /nfs/dbraw/zinc/79/22/92/644792292.db2.gz RKHKSSNRAKQYSD-XQHKEYJVSA-N 2 0 249.358 0.313 20 30 BCEDRP CCN(CC)C(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303879578 644852747 /nfs/dbraw/zinc/85/27/47/644852747.db2.gz JRKPQWPPRRSTJQ-UHFFFAOYSA-N 2 0 226.368 0.985 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303883849 644853819 /nfs/dbraw/zinc/85/38/19/644853819.db2.gz IUQZQAWQQNHIEM-LLVKDONJSA-N 2 0 224.352 0.739 20 30 BCEDRP CCOCCCNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303973017 644860477 /nfs/dbraw/zinc/86/04/77/644860477.db2.gz GIZMLPRSXQMQAO-UHFFFAOYSA-N 2 0 244.383 0.658 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303969063 644861743 /nfs/dbraw/zinc/86/17/43/644861743.db2.gz BJHRUBWNUBRXFE-WDEREUQCSA-N 2 0 244.383 0.656 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925773121 646474011 /nfs/dbraw/zinc/47/40/11/646474011.db2.gz WWYUTZTZDIJOCK-SDDRHHMPSA-N 2 0 212.337 0.901 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712139 711535261 /nfs/dbraw/zinc/53/52/61/711535261.db2.gz NCIFSAPQVMSETE-GHMZBOCLSA-N 2 0 225.336 0.348 20 30 BCEDRP C=C(C)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642817 712264417 /nfs/dbraw/zinc/26/44/17/712264417.db2.gz UHNYDGUTIJHGDQ-UHFFFAOYSA-N 2 0 212.337 0.951 20 30 BCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039026824 710717614 /nfs/dbraw/zinc/71/76/14/710717614.db2.gz IJHYREIYSHCNQL-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039026823 710717762 /nfs/dbraw/zinc/71/77/62/710717762.db2.gz IJHYREIYSHCNQL-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCC#N)C[C@@H]2C1 ZINC000385177469 711007394 /nfs/dbraw/zinc/00/73/94/711007394.db2.gz ASWIWNUZZXWOQW-OLZOCXBDSA-N 2 0 237.347 0.800 20 30 BCEDRP C=CCNC(=O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000393885343 711178445 /nfs/dbraw/zinc/17/84/45/711178445.db2.gz QYLNFIUJMYGOPA-UHFFFAOYSA-N 2 0 225.336 0.220 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970478583 711477930 /nfs/dbraw/zinc/47/79/30/711477930.db2.gz MGWOAJFGBHWMMY-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000709492467 712222949 /nfs/dbraw/zinc/22/29/49/712222949.db2.gz AGFSANTZDITARJ-JTQLQIEISA-N 2 0 226.324 0.075 20 30 BCEDRP C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000714994982 712503193 /nfs/dbraw/zinc/50/31/93/712503193.db2.gz DLDQKNKPXJUJFO-NEPJUHHUSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000714997025 712503380 /nfs/dbraw/zinc/50/33/80/712503380.db2.gz XRRRYDGMVCDGFV-CHWSQXEVSA-N 2 0 223.364 0.931 20 30 BCEDRP C[NH+](C)CC#CCNC(=O)CC[NH2+]C(C)(C)C ZINC000717608022 712662469 /nfs/dbraw/zinc/66/24/69/712662469.db2.gz IBVQQHQDPXVFRF-UHFFFAOYSA-N 2 0 239.363 0.446 20 30 BCEDRP C#CC[C@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000717794708 712678033 /nfs/dbraw/zinc/67/80/33/712678033.db2.gz PPOBYVHEIYZSEW-GFCCVEGCSA-N 2 0 210.321 0.302 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203305164 136208603 /nfs/dbraw/zinc/20/86/03/136208603.db2.gz MITZELJONFIRHP-JTQLQIEISA-N 2 0 224.352 0.785 20 30 BCEDRP C[C@H](CNC1=[NH+]CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262669768 136374763 /nfs/dbraw/zinc/37/47/63/136374763.db2.gz QMOLGNMNJQKYHQ-VXGBXAGGSA-N 2 0 238.379 0.998 20 30 BCEDRP C=CCNC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584113962 343759493 /nfs/dbraw/zinc/75/94/93/343759493.db2.gz TVZIYICJMCZVIW-ZDUSSCGKSA-N 2 0 237.347 0.364 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000066245597 343857749 /nfs/dbraw/zinc/85/77/49/343857749.db2.gz CRDUKFVHRASXNR-NSHDSACASA-N 2 0 224.352 0.809 20 30 BCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252879284 345591229 /nfs/dbraw/zinc/59/12/29/345591229.db2.gz XSKLPUUQZRCLDO-SDDRHHMPSA-N 2 0 237.347 0.348 20 30 BCEDRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309835860 347181117 /nfs/dbraw/zinc/18/11/17/347181117.db2.gz BAHBQTHHGRYCII-NEPJUHHUSA-N 2 0 225.336 0.846 20 30 BCEDRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592047392 347724414 /nfs/dbraw/zinc/72/44/14/347724414.db2.gz KZASWERCKAZXNC-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426946 348043817 /nfs/dbraw/zinc/04/38/17/348043817.db2.gz RXMZYWYWTAUQNB-QWRGUYRKSA-N 2 0 240.351 0.497 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000594425719 348052058 /nfs/dbraw/zinc/05/20/58/348052058.db2.gz MNRXBJQTZKBNCY-GHMZBOCLSA-N 2 0 238.335 0.251 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000594425723 348052082 /nfs/dbraw/zinc/05/20/82/348052082.db2.gz MNRXBJQTZKBNCY-WDEREUQCSA-N 2 0 238.335 0.251 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000594426650 348053006 /nfs/dbraw/zinc/05/30/06/348053006.db2.gz QMCXMFKZERSYEJ-MNOVXSKESA-N 2 0 238.335 0.266 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C1CC1 ZINC000594438815 348054295 /nfs/dbraw/zinc/05/42/95/348054295.db2.gz LZOYWWCIIKVZBJ-QWRGUYRKSA-N 2 0 238.335 0.251 20 30 BCEDRP C=CCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577503543 365972043 /nfs/dbraw/zinc/97/20/43/365972043.db2.gz TUALEBGGRLKHBW-CYBMUJFWSA-N 2 0 241.379 0.151 20 30 BCEDRP C=CC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC[NH2+]1 ZINC000638917427 353081269 /nfs/dbraw/zinc/08/12/69/353081269.db2.gz QCDATSSGDKPEEK-GVXVVHGQSA-N 2 0 235.331 0.257 20 30 BCEDRP C=CCNC(=O)CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252740491 353302665 /nfs/dbraw/zinc/30/26/65/353302665.db2.gz JGXOMBFZHHUTFC-GHMZBOCLSA-N 2 0 225.336 0.218 20 30 BCEDRP C=CC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000282442969 353478925 /nfs/dbraw/zinc/47/89/25/353478925.db2.gz IFVHLVWUPKDDFL-UHFFFAOYSA-N 2 0 225.336 0.268 20 30 BCEDRP C=CCSCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000231942127 353675751 /nfs/dbraw/zinc/67/57/51/353675751.db2.gz WFJZHUNEUNWSBR-GFCCVEGCSA-N 2 0 244.404 0.952 20 30 BCEDRP NC(=[NH2+])N=NC1CC[N@H+](Cc2ccccc2)C1 ZINC000252453826 363261508 /nfs/dbraw/zinc/26/15/08/363261508.db2.gz WKWBNOISLIHRJV-UHFFFAOYSA-N 2 0 231.303 0.731 20 30 BCEDRP CC#CCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685582 491090502 /nfs/dbraw/zinc/09/05/02/491090502.db2.gz FMNLTKDVJMSPCW-UHFFFAOYSA-N 2 0 237.347 0.106 20 30 BCEDRP CC#CCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000389605139 357001800 /nfs/dbraw/zinc/00/18/00/357001800.db2.gz ARWIAVRBLLSTDS-LBPRGKRZSA-N 2 0 210.321 0.445 20 30 BCEDRP C#CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368391 358439191 /nfs/dbraw/zinc/43/91/91/358439191.db2.gz QKWOUKSNCJCYFB-ZDUSSCGKSA-N 2 0 221.348 0.331 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000424055794 192857341 /nfs/dbraw/zinc/85/73/41/192857341.db2.gz FLQQPTOGMOQVLJ-WDEREUQCSA-N 2 0 238.335 0.347 20 30 BCEDRP N#Cc1ncn(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573386241 364820492 /nfs/dbraw/zinc/82/04/92/364820492.db2.gz XBICZXMXXXCWTK-VHSXEESVSA-N 2 0 234.307 0.009 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000382016518 367478157 /nfs/dbraw/zinc/47/81/57/367478157.db2.gz OLKFUALREADACW-UHFFFAOYSA-N 2 0 208.309 0.218 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000066245417 368642635 /nfs/dbraw/zinc/64/26/35/368642635.db2.gz BEZFRLPZTIERPP-UHFFFAOYSA-N 2 0 212.341 0.807 20 30 BCEDRP N#Cc1ccc(CN2CC[C@H](C[NH3+])C2)o1 ZINC000600768332 369562740 /nfs/dbraw/zinc/56/27/40/369562740.db2.gz HXSAENAHTFVEPA-SECBINFHSA-N 2 0 205.261 0.932 20 30 BCEDRP N#Cc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000602495442 369795817 /nfs/dbraw/zinc/79/58/17/369795817.db2.gz UTQMIIZGRBZPCO-GHMZBOCLSA-N 2 0 228.299 0.604 20 30 BCEDRP C=CCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863738 372667027 /nfs/dbraw/zinc/66/70/27/372667027.db2.gz DRKXMMWYMGARRS-UHFFFAOYSA-N 2 0 212.337 0.999 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000424131801 206032329 /nfs/dbraw/zinc/03/23/29/206032329.db2.gz GUPUPRBBRZQBOE-LLVKDONJSA-N 2 0 238.335 0.220 20 30 BCEDRP C#CCNC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849812 384176337 /nfs/dbraw/zinc/17/63/37/384176337.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 0 249.358 0.152 20 30 BCEDRP C[NH+](C)CCOc1cccc(CNC(N)=[NH2+])c1 ZINC000161518596 384497761 /nfs/dbraw/zinc/49/77/61/384497761.db2.gz KLIXVWSMRZATKI-UHFFFAOYSA-N 2 0 236.319 0.400 20 30 BCEDRP C[NH+]=C(NCCC[NH+](C)C)NCc1ccco1 ZINC000103337723 384759078 /nfs/dbraw/zinc/75/90/78/384759078.db2.gz DNQIQPYZTVUHIH-UHFFFAOYSA-N 2 0 238.335 0.896 20 30 BCEDRP CC[C@@H](CC#N)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000564465331 384870822 /nfs/dbraw/zinc/87/08/22/384870822.db2.gz LDNUUHTZBGSLTM-CMPLNLGQSA-N 2 0 225.336 0.723 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226328325 384983254 /nfs/dbraw/zinc/98/32/54/384983254.db2.gz QYXKUVZBZXDBEA-RYUDHWBXSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CNCCN1C ZINC000414978569 386034350 /nfs/dbraw/zinc/03/43/50/386034350.db2.gz RYJZWIBROMKPMC-NWDGAFQWSA-N 2 0 211.353 0.834 20 30 BCEDRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424075946 387477974 /nfs/dbraw/zinc/47/79/74/387477974.db2.gz KOFPPAFGGQVFKQ-MNOVXSKESA-N 2 0 240.351 0.641 20 30 BCEDRP C#CCN(CC(O)C[N@H+](CC#C)C1CC1)C1CC1 ZINC000278342821 387553067 /nfs/dbraw/zinc/55/30/67/387553067.db2.gz MBXNONDOXSWVDL-UHFFFAOYSA-N 2 0 246.354 0.543 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423014359 387836887 /nfs/dbraw/zinc/83/68/87/387836887.db2.gz ICYYMQSFTJOKMV-IJLUTSLNSA-N 2 0 212.337 0.901 20 30 BCEDRP CC[NH2+][C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424164720 387849044 /nfs/dbraw/zinc/84/90/44/387849044.db2.gz XLBUTRKLCZRHAC-ZJUUUORDSA-N 2 0 226.324 0.122 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1(C[NH3+])CCC1 ZINC000424171010 387862473 /nfs/dbraw/zinc/86/24/73/387862473.db2.gz BRGZRKAPJAEACL-JTQLQIEISA-N 2 0 238.335 0.347 20 30 BCEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000423204893 387991175 /nfs/dbraw/zinc/99/11/75/387991175.db2.gz OXNJTSYIRMFYDI-QWHCGFSZSA-N 2 0 236.363 0.564 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000083907666 388067299 /nfs/dbraw/zinc/06/72/99/388067299.db2.gz VVYFJANOICSJIL-GFCCVEGCSA-N 2 0 237.347 0.505 20 30 BCEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCCC1 ZINC000491652364 388308078 /nfs/dbraw/zinc/30/80/78/388308078.db2.gz AFQVFLKGCYTVMA-UHFFFAOYSA-N 2 0 237.347 0.201 20 30 BCEDRP C#CCN(CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491693824 388311527 /nfs/dbraw/zinc/31/15/27/388311527.db2.gz LICRITZCKIRCEM-LBPRGKRZSA-N 2 0 210.321 0.397 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCC2)CC1 ZINC000491819590 388323815 /nfs/dbraw/zinc/32/38/15/388323815.db2.gz ONRDNANYHQZLRG-UHFFFAOYSA-N 2 0 249.358 0.154 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000264067171 533511257 /nfs/dbraw/zinc/51/12/57/533511257.db2.gz BRYWXEUAQZYYHT-JTQLQIEISA-N 2 0 210.325 0.419 20 30 BCEDRP CC[N@H+](CC[NH+]=C(N(C)C)N(C)C)C1CC1 ZINC000104191627 134159140 /nfs/dbraw/zinc/15/91/40/134159140.db2.gz VKPTVSQESWKERM-UHFFFAOYSA-N 2 0 226.368 0.950 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000217553691 134248240 /nfs/dbraw/zinc/24/82/40/134248240.db2.gz ZPLFQSPKIJEJQM-QWRGUYRKSA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261898247 135112564 /nfs/dbraw/zinc/11/25/64/135112564.db2.gz VKQKSNACKMBHIW-JTQLQIEISA-N 2 0 222.336 0.561 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC ZINC000264322377 135137978 /nfs/dbraw/zinc/13/79/78/135137978.db2.gz XYNTZECCKQLUKX-JTQLQIEISA-N 2 0 212.341 0.807 20 30 BCEDRP CN1CC[NH+]=C1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261571722 135213861 /nfs/dbraw/zinc/21/38/61/135213861.db2.gz HTVGFQKWIRHEAT-JTQLQIEISA-N 2 0 222.336 0.362 20 30 BCEDRP C[NH+]=C(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N(C)C ZINC000261945099 135264736 /nfs/dbraw/zinc/26/47/36/135264736.db2.gz FPISRDULRZCRHX-MWLCHTKSSA-N 2 0 224.352 0.606 20 30 BCEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@H+](C)C1CC1 ZINC000262009589 135272221 /nfs/dbraw/zinc/27/22/21/135272221.db2.gz SWEBHCPRXQOXQD-SNVBAGLBSA-N 2 0 226.368 0.948 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262025973 135273669 /nfs/dbraw/zinc/27/36/69/135273669.db2.gz ZJVDNGLNNSNJDS-JTQLQIEISA-N 2 0 233.319 0.760 20 30 BCEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCCC1 ZINC000262126380 135280824 /nfs/dbraw/zinc/28/08/24/135280824.db2.gz NBKYRDCDYXQZBK-GFCCVEGCSA-N 2 0 238.379 0.998 20 30 BCEDRP CN(C)C(=[NH+]CCN1CC=CCC1)N(C)C ZINC000262502208 135303370 /nfs/dbraw/zinc/30/33/70/135303370.db2.gz YSSAUAMJOBYKTE-UHFFFAOYSA-N 2 0 224.352 0.728 20 30 BCEDRP CN1CC[NH+]=C1NCC1(C[NH+](C)C)CCCC1 ZINC000262627041 135309574 /nfs/dbraw/zinc/30/95/74/135309574.db2.gz DSZORYBPGWKQSK-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](C3CC3)CC2)N1 ZINC000262690075 135313835 /nfs/dbraw/zinc/31/38/35/135313835.db2.gz ZYBPNLIZJPHJAD-SNVBAGLBSA-N 2 0 236.363 0.798 20 30 BCEDRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])N1CCC1 ZINC000263128665 135334843 /nfs/dbraw/zinc/33/48/43/135334843.db2.gz MTUIDRLIKHAFFC-UHFFFAOYSA-N 2 0 224.352 0.881 20 30 BCEDRP C=CCNC(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000263249447 135343025 /nfs/dbraw/zinc/34/30/25/135343025.db2.gz ODYPMZLGSNWMHO-NSHDSACASA-N 2 0 236.363 0.822 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000594439559 397973656 /nfs/dbraw/zinc/97/36/56/397973656.db2.gz SAMIXZULPKRGKJ-SNVBAGLBSA-N 2 0 238.335 0.395 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(NC1CC1)=[NH+]C ZINC000491787104 398068815 /nfs/dbraw/zinc/06/88/15/398068815.db2.gz VAKKZELFPYLUSO-UHFFFAOYSA-N 2 0 222.336 0.269 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491674945 398058623 /nfs/dbraw/zinc/05/86/23/398058623.db2.gz STSJQYNQWMGPBW-RYUDHWBXSA-N 2 0 237.347 0.198 20 30 BCEDRP C=CC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653089725 409623301 /nfs/dbraw/zinc/62/33/01/409623301.db2.gz RWWSDBGKPOJVDJ-GFCCVEGCSA-N 2 0 239.363 0.690 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662783553 409912691 /nfs/dbraw/zinc/91/26/91/409912691.db2.gz QNNHNOWUGWXUIS-HOSYDEDBSA-N 2 0 225.336 0.537 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000264118418 166348483 /nfs/dbraw/zinc/34/84/83/166348483.db2.gz QKZRJPZRGDMEQV-UHFFFAOYSA-N 2 0 224.352 0.953 20 30 BCEDRP C=CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082653973 166354456 /nfs/dbraw/zinc/35/44/56/166354456.db2.gz WMBQEAIRLRBOOO-GFCCVEGCSA-N 2 0 237.347 0.316 20 30 BCEDRP C=CCCC[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000652338090 411204964 /nfs/dbraw/zinc/20/49/64/411204964.db2.gz AJONZYLQTHRFJC-LLVKDONJSA-N 2 0 200.326 0.855 20 30 BCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000424388795 411249820 /nfs/dbraw/zinc/24/98/20/411249820.db2.gz ZQGKLJVVWQKQJO-SCVCMEIPSA-N 2 0 210.321 0.775 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[NH2+]CC)CCC[NH2+]1 ZINC000662410310 412154368 /nfs/dbraw/zinc/15/43/68/412154368.db2.gz XZYYDDFCQBUCHO-GFCCVEGCSA-N 2 0 225.336 0.410 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662720966 412283620 /nfs/dbraw/zinc/28/36/20/412283620.db2.gz HIAFYJBAOWIEJU-UHFFFAOYSA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CCC[NH2+]1 ZINC000662813600 412309084 /nfs/dbraw/zinc/30/90/84/412309084.db2.gz ASEMWVRWEUURDP-GVXVVHGQSA-N 2 0 237.347 0.633 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)CC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662843943 412319938 /nfs/dbraw/zinc/31/99/38/412319938.db2.gz PVOVPINUBLAKDL-ZDUSSCGKSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000662763456 412293608 /nfs/dbraw/zinc/29/36/08/412293608.db2.gz CAVIQTKFAWOZGV-YPMHNXCESA-N 2 0 237.347 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[NH2+]1 ZINC000662778153 412299769 /nfs/dbraw/zinc/29/97/69/412299769.db2.gz DYDHAEXEPFJTRC-MPPDQPJWSA-N 2 0 235.331 0.019 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662783551 412300501 /nfs/dbraw/zinc/30/05/01/412300501.db2.gz QNNHNOWUGWXUIS-CKYFFXLPSA-N 2 0 225.336 0.537 20 30 BCEDRP CC[NH+](CC)CCCNC(NC)=[NH+]C ZINC000238239334 642800417 /nfs/dbraw/zinc/80/04/17/642800417.db2.gz DXDRGIFEKPQMSP-UHFFFAOYSA-N 2 0 200.330 0.513 20 30 BCEDRP C=CCNC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487044 323020353 /nfs/dbraw/zinc/02/03/53/323020353.db2.gz VWWWXCXTQYAWKU-WOPDTQHZSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397086 534854917 /nfs/dbraw/zinc/85/49/17/534854917.db2.gz UUVACXPWTAYSQX-NSHDSACASA-N 2 0 210.321 0.860 20 30 BCEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(N)=[NH2+])C1 ZINC000305233025 527970375 /nfs/dbraw/zinc/97/03/75/527970375.db2.gz ZGWBOVUSFLTBBD-JTQLQIEISA-N 2 0 212.341 0.628 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262644511 535501963 /nfs/dbraw/zinc/50/19/63/535501963.db2.gz IRGQKWLTKCZUEQ-QWRGUYRKSA-N 2 0 224.352 0.798 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000261993097 535549882 /nfs/dbraw/zinc/54/98/82/535549882.db2.gz MXHSKQOVQANACJ-MXWKQRLJSA-N 2 0 224.352 0.783 20 30 BCEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)NC1CC1 ZINC000262138696 536304441 /nfs/dbraw/zinc/30/44/41/536304441.db2.gz PHJOYYRYAKAWHK-NSHDSACASA-N 2 0 224.352 0.654 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000104192995 583163296 /nfs/dbraw/zinc/16/32/96/583163296.db2.gz BPJJOHBYQIKMIO-JTQLQIEISA-N 2 0 224.352 0.950 20 30 BCEDRP CNC(NC[C@@H]1CCC[N@H+](CC2CC2)C1)=[NH+]C ZINC000853012596 588715361 /nfs/dbraw/zinc/71/53/61/588715361.db2.gz BOZZXEYXWZDLEX-LBPRGKRZSA-N 2 0 238.379 0.903 20 30 BCEDRP CNC(NC[C@H]1CCC[N@H+](CC2CC2)C1)=[NH+]C ZINC000853012595 588715530 /nfs/dbraw/zinc/71/55/30/588715530.db2.gz BOZZXEYXWZDLEX-GFCCVEGCSA-N 2 0 238.379 0.903 20 30 BCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000393845553 582929318 /nfs/dbraw/zinc/92/93/18/582929318.db2.gz DKPGIJGAABLVNE-NSHDSACASA-N 2 0 239.363 0.609 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000856408558 588871947 /nfs/dbraw/zinc/87/19/47/588871947.db2.gz MZQFYMRRJXRGRT-NWDGAFQWSA-N 2 0 239.363 0.703 20 30 BCEDRP CC(C)[C@@H]([NH3+])CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852798563 583017469 /nfs/dbraw/zinc/01/74/69/583017469.db2.gz LLCSKLXCGHIBNU-LBPRGKRZSA-N 2 0 237.347 0.089 20 30 BCEDRP C#CCN1CCC[C@H]1C(=O)N1CCN(CC)CC1 ZINC000730094416 584122772 /nfs/dbraw/zinc/12/27/72/584122772.db2.gz HMUSPXGBAPEJON-ZDUSSCGKSA-N 2 0 249.358 0.248 20 30 BCEDRP CNC(NCC[N@@H+]1CCC(C)(C)C1)=[NH+]C ZINC000899263617 584191255 /nfs/dbraw/zinc/19/12/55/584191255.db2.gz FZKFFOANPYUVLO-UHFFFAOYSA-N 2 0 212.341 0.513 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](C)CC1 ZINC000899935596 584257668 /nfs/dbraw/zinc/25/76/68/584257668.db2.gz PHYUJSVMIOUBPP-UHFFFAOYSA-N 2 0 239.363 0.658 20 30 BCEDRP C#CC[N@@H+](C)CCCNCc1cn(CC)cn1 ZINC000902576694 584637550 /nfs/dbraw/zinc/63/75/50/584637550.db2.gz XFKITXFNEYVBJI-UHFFFAOYSA-N 2 0 234.347 0.948 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809830 584803730 /nfs/dbraw/zinc/80/37/30/584803730.db2.gz MYIZNLOISREEID-GFCCVEGCSA-N 2 0 242.363 0.753 20 30 BCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000748405046 585192449 /nfs/dbraw/zinc/19/24/49/585192449.db2.gz CCCBVXKWYSPYTP-LBPRGKRZSA-N 2 0 237.347 0.104 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754795140 585290870 /nfs/dbraw/zinc/29/08/70/585290870.db2.gz LQQLCEMVWYVXTB-OLZOCXBDSA-N 2 0 249.358 0.342 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000764472922 585466262 /nfs/dbraw/zinc/46/62/62/585466262.db2.gz VZZLTFCURXIWQZ-LBPRGKRZSA-N 2 0 239.363 0.657 20 30 BCEDRP C[C@H]1CNC(NN=C2CCC[N@H+](C)CC2)=[NH+]1 ZINC000779792019 585763447 /nfs/dbraw/zinc/76/34/47/585763447.db2.gz HOYYKEGQSJHFCI-VIFPVBQESA-N 2 0 223.324 0.395 20 30 BCEDRP C[C@H]1CNC(NN=C2CCC[C@@H]([NH+](C)C)C2)=[NH+]1 ZINC000788438007 585923360 /nfs/dbraw/zinc/92/33/60/585923360.db2.gz FMNGXSNBPVIXGJ-GXSJLCMTSA-N 2 0 237.351 0.784 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816950401 586773581 /nfs/dbraw/zinc/77/35/81/586773581.db2.gz RHGICVHKELZZJK-RYUDHWBXSA-N 2 0 237.347 0.267 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818621212 586908120 /nfs/dbraw/zinc/90/81/20/586908120.db2.gz NUUIUVGRDBJVRF-TXEJJXNPSA-N 2 0 239.363 0.655 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000826722799 587360051 /nfs/dbraw/zinc/36/00/51/587360051.db2.gz XHODPQFQWIJTPN-LLVKDONJSA-N 2 0 239.363 0.562 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496571 587663369 /nfs/dbraw/zinc/66/33/69/587663369.db2.gz VGUYYCJPQYTGFZ-VXGBXAGGSA-N 2 0 239.363 0.703 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000841454551 587955212 /nfs/dbraw/zinc/95/52/12/587955212.db2.gz CGJBCDKXYNCXHR-UHFFFAOYSA-N 2 0 225.336 0.315 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000848032928 588348766 /nfs/dbraw/zinc/34/87/66/588348766.db2.gz GFRYSDJVONDHHX-UHFFFAOYSA-N 2 0 239.363 0.657 20 30 BCEDRP NC(=[NH2+])N=NC1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848405033 588377960 /nfs/dbraw/zinc/37/79/60/588377960.db2.gz XEQTZMASKNURHO-VIFPVBQESA-N 2 0 209.297 0.474 20 30 BCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848675732 588404995 /nfs/dbraw/zinc/40/49/95/588404995.db2.gz COEOZTPEONQNPX-TXEJJXNPSA-N 2 0 237.347 0.056 20 30 BCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848721168 588408300 /nfs/dbraw/zinc/40/83/00/588408300.db2.gz BPCUMJZEMNDHIB-WDEREUQCSA-N 2 0 246.376 0.447 20 30 BCEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)NC1CC1 ZINC000848981640 588423667 /nfs/dbraw/zinc/42/36/67/588423667.db2.gz IJNBZDQDYOBTQC-UHFFFAOYSA-N 2 0 212.341 0.654 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCCCC2)N1 ZINC000848982650 588424443 /nfs/dbraw/zinc/42/44/43/588424443.db2.gz PURLGULKAOYWPL-NSHDSACASA-N 2 0 224.352 0.800 20 30 BCEDRP C=CCNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995211 588428718 /nfs/dbraw/zinc/42/87/18/588428718.db2.gz GOSKFKMJZPPDFQ-UHFFFAOYSA-N 2 0 219.292 0.215 20 30 BCEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)NC1CC1 ZINC000848999091 588429821 /nfs/dbraw/zinc/42/98/21/588429821.db2.gz OZSWPKVEEWTMDQ-UHFFFAOYSA-N 2 0 224.352 0.656 20 30 BCEDRP CCCC[N@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000849005375 588432026 /nfs/dbraw/zinc/43/20/26/588432026.db2.gz AZSUKRCXJSATCU-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP CNC(NC[C@H]1CCCC[N@@H+]1C1CC1)=[NH+]C ZINC000849023215 588439531 /nfs/dbraw/zinc/43/95/31/588439531.db2.gz YXFSRQAFUBSEDW-LLVKDONJSA-N 2 0 224.352 0.798 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCCC2(C)C)N1 ZINC000849039057 588446715 /nfs/dbraw/zinc/44/67/15/588446715.db2.gz GHNVEQQGVUPYPC-SNVBAGLBSA-N 2 0 224.352 0.798 20 30 BCEDRP CCNC(NC[C@H]1C[C@@H]([NH+](C)C)C1)=[NH+]CC ZINC000849048466 588450968 /nfs/dbraw/zinc/45/09/68/588450968.db2.gz HRKJRUXRKCMFAW-PHIMTYICSA-N 2 0 226.368 0.902 20 30 BCEDRP CNC(NCCCC[N@@H+]1CCC[C@@H]1CO)=[NH+]C ZINC000849214587 588462007 /nfs/dbraw/zinc/46/20/07/588462007.db2.gz SUCJXGIWFZFCNX-LLVKDONJSA-N 2 0 242.367 0.018 20 30 BCEDRP C#CCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852078247 588660193 /nfs/dbraw/zinc/66/01/93/588660193.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 2 0 222.332 0.664 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852799005 588703983 /nfs/dbraw/zinc/70/39/83/588703983.db2.gz PSISFSIECAPLBW-DGCLKSJQSA-N 2 0 249.358 0.185 20 30 BCEDRP C[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852862499 588709289 /nfs/dbraw/zinc/70/92/89/588709289.db2.gz GPTFSXPRZVRELQ-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874030 588709778 /nfs/dbraw/zinc/70/97/78/588709778.db2.gz JKFFGKMFPQZIAG-DGCLKSJQSA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000852874085 588709839 /nfs/dbraw/zinc/70/98/39/588709839.db2.gz HZEPDKBSTSYMPP-NEPJUHHUSA-N 2 0 249.358 0.198 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000852877770 588710382 /nfs/dbraw/zinc/71/03/82/588710382.db2.gz CXKBHIOPPPHTNR-ONGXEEELSA-N 2 0 211.309 0.148 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000852879515 588710634 /nfs/dbraw/zinc/71/06/34/588710634.db2.gz WJSFBWAYEILVPZ-CYBMUJFWSA-N 2 0 249.358 0.248 20 30 BCEDRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852878379 588710679 /nfs/dbraw/zinc/71/06/79/588710679.db2.gz JLHXVNRGZUTKIA-DGCLKSJQSA-N 2 0 249.358 0.104 20 30 BCEDRP CC1(C)CN(C(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852882919 588711342 /nfs/dbraw/zinc/71/13/42/588711342.db2.gz SKCCBUDIYFKXND-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852894631 588711974 /nfs/dbraw/zinc/71/19/74/588711974.db2.gz XGZFDQVTYXVONR-CHWSQXEVSA-N 2 0 249.358 0.376 20 30 BCEDRP CNC(NC[C@@H]1CC[N@@H+]1C1CCCC1)=[NH+]C ZINC000864356927 589354976 /nfs/dbraw/zinc/35/49/76/589354976.db2.gz QYBDSMQYWJJIRO-NSHDSACASA-N 2 0 224.352 0.798 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503657 590204219 /nfs/dbraw/zinc/20/42/19/590204219.db2.gz BMPSTSQQTYVENG-SFYZADRCSA-N 2 0 217.700 0.016 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000876507723 590205080 /nfs/dbraw/zinc/20/50/80/590205080.db2.gz LXAQFWPAUKQSSB-SNVBAGLBSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876521937 590207321 /nfs/dbraw/zinc/20/73/21/590207321.db2.gz BZUWEYSGRPTNFY-BDAKNGLRSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000876526648 590208590 /nfs/dbraw/zinc/20/85/90/590208590.db2.gz ZKNQYAAKJQQFIV-NXEZZACHSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000876532071 590210327 /nfs/dbraw/zinc/21/03/27/590210327.db2.gz AWZOAGYYBVOLIZ-SFGNSQDASA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000876534351 590210818 /nfs/dbraw/zinc/21/08/18/590210818.db2.gz AYZWWTHSXGAUDQ-KOLCDFICSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534094 590210840 /nfs/dbraw/zinc/21/08/40/590210840.db2.gz OEXBRLHHUPIMIL-BDAKNGLRSA-N 2 0 233.743 0.556 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538239 590211461 /nfs/dbraw/zinc/21/14/61/590211461.db2.gz FXGGNUJHGWNTOR-BDAKNGLRSA-N 2 0 231.727 0.406 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538244 590211659 /nfs/dbraw/zinc/21/16/59/590211659.db2.gz FXGGNUJHGWNTOR-RKDXNWHRSA-N 2 0 231.727 0.406 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000876736020 590234039 /nfs/dbraw/zinc/23/40/39/590234039.db2.gz INSUECGQZXZPIV-JTQLQIEISA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000876733460 590234649 /nfs/dbraw/zinc/23/46/49/590234649.db2.gz YIASFFHFKNLRNZ-ZJUUUORDSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870987 590251953 /nfs/dbraw/zinc/25/19/53/590251953.db2.gz FRIQMRIZOMEILU-IUCAKERBSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1c[nH]cn1 ZINC000876882783 590252932 /nfs/dbraw/zinc/25/29/32/590252932.db2.gz ROZRRXREFWQWDK-MRVPVSSYSA-N 2 0 228.683 0.496 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000876935343 590258352 /nfs/dbraw/zinc/25/83/52/590258352.db2.gz RQOMSRFOLCVFFH-VGMNWLOBSA-N 2 0 233.743 0.698 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000876935345 590258413 /nfs/dbraw/zinc/25/84/13/590258413.db2.gz RQOMSRFOLCVFFH-YIZRAAEISA-N 2 0 233.743 0.698 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933800 590258694 /nfs/dbraw/zinc/25/86/94/590258694.db2.gz ZPEXBVNKRBXJQG-KXUCPTDWSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000876938604 590259012 /nfs/dbraw/zinc/25/90/12/590259012.db2.gz JZFNQZBXTLCLLU-SNVBAGLBSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976992 590264092 /nfs/dbraw/zinc/26/40/92/590264092.db2.gz QKJVJOYYWOBUND-INWMGODYSA-N 2 0 243.738 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244930 590303040 /nfs/dbraw/zinc/30/30/40/590303040.db2.gz VRQZEPACWOXXHV-IWSPIJDZSA-N 2 0 231.727 0.310 20 30 BCEDRP [NH3+][C@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000877293933 590308585 /nfs/dbraw/zinc/30/85/85/590308585.db2.gz WONQNGBMEGLBER-JOCQHMNTSA-N 2 0 249.358 0.376 20 30 BCEDRP C=CC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000877981918 590464654 /nfs/dbraw/zinc/46/46/54/590464654.db2.gz BZVRQDZZKPHXJX-GMTAPVOTSA-N 2 0 224.304 0.255 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364290 591916457 /nfs/dbraw/zinc/91/64/57/591916457.db2.gz PQBYLVQDORPZAM-YIZRAAEISA-N 2 0 245.754 0.698 20 30 BCEDRP N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000885960571 592115852 /nfs/dbraw/zinc/11/58/52/592115852.db2.gz NDZIRYNKMVCKJQ-FRRDWIJNSA-N 2 0 249.358 0.582 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCC(F)F ZINC000887360312 592490217 /nfs/dbraw/zinc/49/02/17/592490217.db2.gz CSSNHZJYBSLVPK-UHFFFAOYSA-N 2 0 232.278 0.321 20 30 BCEDRP C=CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925702727 634378333 /nfs/dbraw/zinc/37/83/33/634378333.db2.gz AZJWBBHDNHALME-CDECOKDKSA-N 2 0 210.321 0.904 20 30 BCEDRP CN(C)C(=[NH+]C[C@H](C1CC1)[NH+](C)C)N(C)C ZINC000104175802 634573658 /nfs/dbraw/zinc/57/36/58/634573658.db2.gz STRNXECKMPPROR-LLVKDONJSA-N 2 0 226.368 0.806 20 30 BCEDRP CN(C)C(=[NH+]C[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC000104175798 634574771 /nfs/dbraw/zinc/57/47/71/634574771.db2.gz STRNXECKMPPROR-NSHDSACASA-N 2 0 226.368 0.806 20 30 BCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447190 635675271 /nfs/dbraw/zinc/67/52/71/635675271.db2.gz NLWKSMIHOSNHAD-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP CNC(NCC[C@H]1CCC[N@H+](C)C1)=[NH+]C ZINC000849041152 632035542 /nfs/dbraw/zinc/03/55/42/632035542.db2.gz LVGWPDRKNMELSO-SNVBAGLBSA-N 2 0 212.341 0.513 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084319 632125861 /nfs/dbraw/zinc/12/58/61/632125861.db2.gz NGTPTWDPXLOCGJ-UTUOFQBUSA-N 2 0 237.347 0.361 20 30 BCEDRP C[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000066245314 632860834 /nfs/dbraw/zinc/86/08/34/632860834.db2.gz AUUMAQUYJNWJQE-VIFPVBQESA-N 2 0 210.325 0.537 20 30 BCEDRP CC[N@H+](CCNC(=[NH2+])NC1CC1)C1CC1 ZINC000066246553 632861019 /nfs/dbraw/zinc/86/10/19/632861019.db2.gz LGERJQBRACAGNL-UHFFFAOYSA-N 2 0 210.325 0.537 20 30 BCEDRP C#CCN(C)CCC[NH2+]Cc1cnn(CC)c1 ZINC000328199984 633743896 /nfs/dbraw/zinc/74/38/96/633743896.db2.gz SPPYMZPHNRDSAA-UHFFFAOYSA-N 2 0 234.347 0.948 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019774833 633789545 /nfs/dbraw/zinc/78/95/45/633789545.db2.gz KENNUTKZCNTHOO-LBPRGKRZSA-N 2 0 237.347 0.459 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020025423 633806066 /nfs/dbraw/zinc/80/60/66/633806066.db2.gz OUMKBAVIHWMBIP-IJLUTSLNSA-N 2 0 237.347 0.503 20 30 BCEDRP COCC[N@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000181464972 633917270 /nfs/dbraw/zinc/91/72/70/633917270.db2.gz IEEYQOVEQXJHFX-UHFFFAOYSA-N 2 0 242.367 0.364 20 30 BCEDRP N#CCN1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925608599 634145091 /nfs/dbraw/zinc/14/50/91/634145091.db2.gz FZHMGWMIKNSOKC-OLZOCXBDSA-N 2 0 248.374 0.834 20 30 BCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000194684478 634329438 /nfs/dbraw/zinc/32/94/38/634329438.db2.gz XASJPWGERLNUKX-NXEZZACHSA-N 2 0 212.341 0.641 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397266 635221175 /nfs/dbraw/zinc/22/11/75/635221175.db2.gz ONRANPUICFKAAN-CHWSQXEVSA-N 2 0 249.358 0.104 20 30 BCEDRP C=CCNC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000085870012 636880340 /nfs/dbraw/zinc/88/03/40/636880340.db2.gz KPODFTYOPVWILB-UHFFFAOYSA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH+]1CCC(NC(NCC)=[NH+]CC)CC1 ZINC000905032361 637553621 /nfs/dbraw/zinc/55/36/21/637553621.db2.gz IQNCYUJSPNUIDW-UHFFFAOYSA-N 2 0 236.363 0.659 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000911628959 639689470 /nfs/dbraw/zinc/68/94/70/639689470.db2.gz QVTPMWWTHXYRLY-NSHDSACASA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677470 639717657 /nfs/dbraw/zinc/71/76/57/639717657.db2.gz RVKOSWPUQIMXSB-JTQLQIEISA-N 2 0 213.325 0.396 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673601 639735824 /nfs/dbraw/zinc/73/58/24/639735824.db2.gz MTLCTIBZOPAINF-QWRGUYRKSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673602 639736298 /nfs/dbraw/zinc/73/62/98/639736298.db2.gz MTLCTIBZOPAINF-WDEREUQCSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911795297 639808426 /nfs/dbraw/zinc/80/84/26/639808426.db2.gz INTJBVIJENKSBK-TUAOUCFPSA-N 2 0 239.363 0.879 20 30 BCEDRP C[N@@H+]1CC[C@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930557632 639810859 /nfs/dbraw/zinc/81/08/59/639810859.db2.gz HNEXCXHGBCVXTH-NEPJUHHUSA-N 2 0 223.320 0.289 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911817670 639850426 /nfs/dbraw/zinc/85/04/26/639850426.db2.gz IWTVMWWIJKWXOH-WOPDTQHZSA-N 2 0 239.363 0.866 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000912394637 640051100 /nfs/dbraw/zinc/05/11/00/640051100.db2.gz UWHXCXVQWHJVCK-LBPRGKRZSA-N 2 0 241.379 0.951 20 30 BCEDRP C#CCOCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479875 640228526 /nfs/dbraw/zinc/22/85/26/640228526.db2.gz FIFGTCAUHDTWDP-UHFFFAOYSA-N 2 0 240.347 0.025 20 30 BCEDRP CC[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 ZINC000170912872 640938280 /nfs/dbraw/zinc/93/82/80/640938280.db2.gz JYHXAHZVSOBBSH-JTQLQIEISA-N 2 0 212.341 0.737 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204812 642324853 /nfs/dbraw/zinc/32/48/53/642324853.db2.gz OYWUHVGNRUNBIK-STQMWFEESA-N 2 0 249.358 0.247 20 30 BCEDRP CN(C(=[NH2+])NCC[NH2+]C(C)(C)C)C1CC1 ZINC000305801731 642700191 /nfs/dbraw/zinc/70/01/91/642700191.db2.gz DMGJGKPUYKYHAO-UHFFFAOYSA-N 2 0 212.341 0.783 20 30 BCEDRP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000939208149 642859253 /nfs/dbraw/zinc/85/92/53/642859253.db2.gz BMQJGXCNAXZFGX-ZYHUDNBSSA-N 2 0 246.314 0.022 20 30 BCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253162 642955057 /nfs/dbraw/zinc/95/50/57/642955057.db2.gz XSOFWKXWFKTXJE-CYBMUJFWSA-N 2 0 249.358 0.296 20 30 BCEDRP C[NH+]1CCC(C[NH+]2CCN(CC#N)CC2)CC1 ZINC000115816316 643017484 /nfs/dbraw/zinc/01/74/84/643017484.db2.gz NGSHBPMHWYPQIN-UHFFFAOYSA-N 2 0 236.363 0.469 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001019153802 643019539 /nfs/dbraw/zinc/01/95/39/643019539.db2.gz LFNSKADXQXFPPU-LBPRGKRZSA-N 2 0 246.314 0.015 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001020585292 643221139 /nfs/dbraw/zinc/22/11/39/643221139.db2.gz PQBJXZFCUSSRID-AVGNSLFASA-N 2 0 249.358 0.341 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591175 643223160 /nfs/dbraw/zinc/22/31/60/643223160.db2.gz GMSNGWUBBBMTLZ-LPWJVIDDSA-N 2 0 249.358 0.054 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000923285399 644319085 /nfs/dbraw/zinc/31/90/85/644319085.db2.gz BFWAGOFNJBQTQB-LBPRGKRZSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923291798 644328794 /nfs/dbraw/zinc/32/87/94/644328794.db2.gz UONHXDFCHAHXDA-GRYCIOLGSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331769 644359905 /nfs/dbraw/zinc/35/99/05/644359905.db2.gz ICOQCNZZCFCRBG-OLZOCXBDSA-N 2 0 224.348 0.999 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923331715 644360891 /nfs/dbraw/zinc/36/08/91/644360891.db2.gz NSOPEIWRLDJERX-TUAOUCFPSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+](C)CCC[NH2+]C ZINC000923377862 644391004 /nfs/dbraw/zinc/39/10/04/644391004.db2.gz QPFPENIOLKSXHN-NSHDSACASA-N 2 0 200.326 0.855 20 30 BCEDRP N#Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)o1 ZINC000923459407 644439953 /nfs/dbraw/zinc/43/99/53/644439953.db2.gz ACKFSURWDQGUSH-UHFFFAOYSA-N 2 0 234.303 0.146 20 30 BCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518259 644482834 /nfs/dbraw/zinc/48/28/34/644482834.db2.gz BWCZXLLBFHOFAJ-YNEHKIRRSA-N 2 0 249.358 0.315 20 30 BCEDRP C#CCN1CCC[C@@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563994 644504124 /nfs/dbraw/zinc/50/41/24/644504124.db2.gz MODAZYJFYGDQQX-CYBMUJFWSA-N 2 0 249.358 0.318 20 30 BCEDRP CNC(NC[C@@H]1C[N@H+](CC(C)C)CCO1)=[NH+]C ZINC000303262737 644813225 /nfs/dbraw/zinc/81/32/25/644813225.db2.gz QFHLMAMHJFIGEF-LLVKDONJSA-N 2 0 242.367 0.138 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC(NC)=[NH+]C ZINC000303413616 644822000 /nfs/dbraw/zinc/82/20/00/644822000.db2.gz ZHHGEMMOQKJDTH-VIFPVBQESA-N 2 0 200.330 0.512 20 30 BCEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H](C)COC ZINC000303724663 644841919 /nfs/dbraw/zinc/84/19/19/644841919.db2.gz ZVSXYHUZJMNQDH-SNVBAGLBSA-N 2 0 230.356 0.267 20 30 BCEDRP C[NH+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000303721452 644842026 /nfs/dbraw/zinc/84/20/26/644842026.db2.gz XLVVJMAXACBULR-UHFFFAOYSA-N 2 0 230.381 0.302 20 30 BCEDRP CCOCCCNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000303778994 644846151 /nfs/dbraw/zinc/84/61/51/644846151.db2.gz KGQFIOKHAINYOX-UHFFFAOYSA-N 2 0 244.383 0.658 20 30 BCEDRP CCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303791994 644848348 /nfs/dbraw/zinc/84/83/48/644848348.db2.gz YBOFBKFSUQNNGA-LLVKDONJSA-N 2 0 242.367 0.267 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303863954 644850901 /nfs/dbraw/zinc/85/09/01/644850901.db2.gz ASXMEXACNNPJFL-JTQLQIEISA-N 2 0 242.367 0.267 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303883850 644853907 /nfs/dbraw/zinc/85/39/07/644853907.db2.gz IUQZQAWQQNHIEM-NSHDSACASA-N 2 0 224.352 0.739 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303896061 644855439 /nfs/dbraw/zinc/85/54/39/644855439.db2.gz UDWVNWMWCBMFKT-MWLCHTKSSA-N 2 0 242.367 0.266 20 30 BCEDRP CC(C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303896633 644856679 /nfs/dbraw/zinc/85/66/79/644856679.db2.gz QBLKFPWOVPTKAY-UHFFFAOYSA-N 2 0 242.367 0.412 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304754203 644931657 /nfs/dbraw/zinc/93/16/57/644931657.db2.gz LSQYWGUYZJLRRX-MNOVXSKESA-N 2 0 242.367 0.267 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834526401 645145381 /nfs/dbraw/zinc/14/53/81/645145381.db2.gz OAKVWRIOZGWDPM-UHFFFAOYSA-N 2 0 237.347 0.268 20 30 BCEDRP C=CCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878490587 645814949 /nfs/dbraw/zinc/81/49/49/645814949.db2.gz OPEOVQLTJCOQAU-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP N#CCN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607558 646357812 /nfs/dbraw/zinc/35/78/12/646357812.db2.gz CPAJIZHOBDBEJH-ZDUSSCGKSA-N 2 0 248.374 0.849 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCC[NH2+]C(C)(C)C)N1 ZINC000390801504 711775328 /nfs/dbraw/zinc/77/53/28/711775328.db2.gz ZNAOBVVGPQQFDU-VIFPVBQESA-N 2 0 212.341 0.702 20 30 BCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039026822 710718439 /nfs/dbraw/zinc/71/84/39/710718439.db2.gz IJHYREIYSHCNQL-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561548 711443732 /nfs/dbraw/zinc/44/37/32/711443732.db2.gz DJIZUAYTSOBQFH-RWMBFGLXSA-N 2 0 249.358 0.293 20 30 BCEDRP C=CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710642762 712264439 /nfs/dbraw/zinc/26/44/39/712264439.db2.gz RWGJDHSZNTXVHT-UHFFFAOYSA-N 2 0 212.337 0.951 20 30 BCEDRP C=CC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000714997027 712503440 /nfs/dbraw/zinc/50/34/40/712503440.db2.gz XRRRYDGMVCDGFV-OLZOCXBDSA-N 2 0 223.364 0.931 20 30 BCEDRP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000717840516 712691317 /nfs/dbraw/zinc/69/13/17/712691317.db2.gz IALSKDMUIUYDHR-UPJWGTAASA-N 2 0 222.332 0.587 20 30 BCEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602573444 349623380 /nfs/dbraw/zinc/62/33/80/349623380.db2.gz JRHLPXMGKZZUPD-GARJFASQSA-N 2 0 238.335 0.264 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000066246549 343857895 /nfs/dbraw/zinc/85/78/95/343857895.db2.gz GBHQEQAGOHUBMO-UHFFFAOYSA-N 2 0 210.325 0.561 20 30 BCEDRP Cc1nccn1CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600722642 344363136 /nfs/dbraw/zinc/36/31/36/344363136.db2.gz JXACUUXNKZSDIP-GFCCVEGCSA-N 2 0 248.330 0.836 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCC ZINC000382005677 347052003 /nfs/dbraw/zinc/05/20/03/347052003.db2.gz KWHJTZWOKGSZMK-UHFFFAOYSA-N 2 0 210.325 0.465 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000237182523 344658561 /nfs/dbraw/zinc/65/85/61/344658561.db2.gz RBPVPDHZQXQJMB-LLVKDONJSA-N 2 0 239.363 0.609 20 30 BCEDRP CC(C)CNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271797619 345806385 /nfs/dbraw/zinc/80/63/85/345806385.db2.gz KPIQQGIOCVJNPT-UHFFFAOYSA-N 2 0 224.352 0.809 20 30 BCEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000563528310 323129147 /nfs/dbraw/zinc/12/91/47/323129147.db2.gz XDAFOOJRHKKANI-RYUDHWBXSA-N 2 0 239.363 0.609 20 30 BCEDRP C[C@@H]1CN(Cc2ccncc2C#N)C[C@H]1C[NH3+] ZINC000601326032 347208157 /nfs/dbraw/zinc/20/81/57/347208157.db2.gz IOAMQPFTCHUEFF-ZWNOBZJWSA-N 2 0 230.315 0.980 20 30 BCEDRP C#C[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000187047238 347248242 /nfs/dbraw/zinc/24/82/42/347248242.db2.gz IDZXVIBLFATDAW-QWRGUYRKSA-N 2 0 222.336 0.397 20 30 BCEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC#N)C2)CC1 ZINC000591736673 347694745 /nfs/dbraw/zinc/69/47/45/347694745.db2.gz DWUISFVEMQYXCO-GFCCVEGCSA-N 2 0 236.363 0.658 20 30 BCEDRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592047391 347724435 /nfs/dbraw/zinc/72/44/35/347724435.db2.gz KZASWERCKAZXNC-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000594424306 348051114 /nfs/dbraw/zinc/05/11/14/348051114.db2.gz AIPAASLKHGSHGN-GHMZBOCLSA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426636 348052413 /nfs/dbraw/zinc/05/24/13/348052413.db2.gz QCKNUPICWOSPSG-UWVGGRQHSA-N 2 0 226.324 0.251 20 30 BCEDRP CC(C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426646 348052984 /nfs/dbraw/zinc/05/29/84/348052984.db2.gz QGDZYIOSBBOSPD-VIFPVBQESA-N 2 0 226.324 0.251 20 30 BCEDRP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444411 348055667 /nfs/dbraw/zinc/05/56/67/348055667.db2.gz RMPJDKISRZYBLZ-NXEZZACHSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444284 348055670 /nfs/dbraw/zinc/05/56/70/348055670.db2.gz NVFKRFIMUDRRLQ-GUBZILKMSA-N 2 0 226.324 0.250 20 30 BCEDRP N#CCSCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308910654 349058692 /nfs/dbraw/zinc/05/86/92/349058692.db2.gz VEXUSVJFPWDZQF-QWRGUYRKSA-N 2 0 225.361 0.784 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271815977 351439189 /nfs/dbraw/zinc/43/91/89/351439189.db2.gz OCFTVYRYXMIBJM-SNVBAGLBSA-N 2 0 240.351 0.188 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000638772716 352715531 /nfs/dbraw/zinc/71/55/31/352715531.db2.gz DVXMHXFQTAZBBZ-DMDPSCGWSA-N 2 0 237.347 0.551 20 30 BCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724272 166366997 /nfs/dbraw/zinc/36/69/97/166366997.db2.gz VGEOCPKKDGYPPP-NSHDSACASA-N 2 0 225.336 0.349 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000285743085 353550261 /nfs/dbraw/zinc/55/02/61/353550261.db2.gz IAWMLIYNWANPNR-UHFFFAOYSA-N 2 0 225.336 0.363 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)CCc1c[nH]cn1 ZINC000293928503 353764384 /nfs/dbraw/zinc/76/43/84/353764384.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 0 248.330 0.414 20 30 BCEDRP C=C(C)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761477 356678309 /nfs/dbraw/zinc/67/83/09/356678309.db2.gz MPXQVLWYTIMGAX-GFCCVEGCSA-N 2 0 212.337 0.951 20 30 BCEDRP C=C(C)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761486 356678611 /nfs/dbraw/zinc/67/86/11/356678611.db2.gz MPXQVLWYTIMGAX-LBPRGKRZSA-N 2 0 212.337 0.951 20 30 BCEDRP [NH2+]=C(NCC[NH+]1CCCC1)NCC1CCC1 ZINC000170907843 134255007 /nfs/dbraw/zinc/25/50/07/134255007.db2.gz NAZCXEGQIKRUFS-UHFFFAOYSA-N 2 0 224.352 0.787 20 30 BCEDRP CC[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353976163 358906073 /nfs/dbraw/zinc/90/60/73/358906073.db2.gz WRWIELWBTKSHPW-UHFFFAOYSA-N 2 0 248.334 0.224 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000066245598 361170262 /nfs/dbraw/zinc/17/02/62/361170262.db2.gz CRDUKFVHRASXNR-LLVKDONJSA-N 2 0 224.352 0.809 20 30 BCEDRP N#Cc1ncn(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573386242 364820296 /nfs/dbraw/zinc/82/02/96/364820296.db2.gz XBICZXMXXXCWTK-ZJUUUORDSA-N 2 0 234.307 0.009 20 30 BCEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442798653 192993201 /nfs/dbraw/zinc/99/32/01/192993201.db2.gz YPWUSWYECVBXJL-VXGBXAGGSA-N 2 0 237.347 0.725 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444175351 193040081 /nfs/dbraw/zinc/04/00/81/193040081.db2.gz ZSWXZBJLQSKTSM-LLVKDONJSA-N 2 0 223.320 0.115 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC)CC1 ZINC000579828824 367034699 /nfs/dbraw/zinc/03/46/99/367034699.db2.gz SRXSQEVJCDVTIH-LLVKDONJSA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH+](C)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000382047710 367481117 /nfs/dbraw/zinc/48/11/17/367481117.db2.gz CKEBEVRSELNVCA-STQMWFEESA-N 2 0 223.364 0.481 20 30 BCEDRP N#Cc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)o1 ZINC000600770392 369566274 /nfs/dbraw/zinc/56/62/74/369566274.db2.gz YELBSSSTISURCA-UHFFFAOYSA-N 2 0 248.330 0.536 20 30 BCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424192472 206035837 /nfs/dbraw/zinc/03/58/37/206035837.db2.gz IXWYVGGYXJDAKW-NXEZZACHSA-N 2 0 240.351 0.497 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000572599069 383996532 /nfs/dbraw/zinc/99/65/32/383996532.db2.gz MLNPWZONIHBONZ-SNVBAGLBSA-N 2 0 240.351 0.512 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907879 385455054 /nfs/dbraw/zinc/45/50/54/385455054.db2.gz JJJZTPIPQJTYDV-UHFFFAOYSA-N 2 0 210.325 0.563 20 30 BCEDRP C#CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261776033 533140961 /nfs/dbraw/zinc/14/09/61/533140961.db2.gz OROZZOZUHQWLHH-ZYHUDNBSSA-N 2 0 234.347 0.267 20 30 BCEDRP C=CCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000308832694 385884226 /nfs/dbraw/zinc/88/42/26/385884226.db2.gz UVZQDTIAZAVUCF-GFCCVEGCSA-N 2 0 212.337 0.999 20 30 BCEDRP C=C(CC)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000313487467 387389846 /nfs/dbraw/zinc/38/98/46/387389846.db2.gz DQIAOYRNVROEPF-LBPRGKRZSA-N 2 0 212.337 0.999 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000424074747 387478312 /nfs/dbraw/zinc/47/83/12/387478312.db2.gz HVRJFBXBWAWDKD-SNVBAGLBSA-N 2 0 238.335 0.395 20 30 BCEDRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138186 387672283 /nfs/dbraw/zinc/67/22/83/387672283.db2.gz PUSSITSDRMZQHZ-JTQLQIEISA-N 2 0 226.324 0.075 20 30 BCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143807 387754972 /nfs/dbraw/zinc/75/49/72/387754972.db2.gz GGNJUXNBDODNBN-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C ZINC000424151030 387793244 /nfs/dbraw/zinc/79/32/44/387793244.db2.gz FESXIBHVRFNBDP-GARJFASQSA-N 2 0 238.335 0.216 20 30 BCEDRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424152575 387799406 /nfs/dbraw/zinc/79/94/06/387799406.db2.gz INKWNXIAJGKYOV-WDEREUQCSA-N 2 0 240.351 0.464 20 30 BCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424152130 387800783 /nfs/dbraw/zinc/80/07/83/387800783.db2.gz IKQYJYQOQMCXGH-VHSXEESVSA-N 2 0 226.324 0.074 20 30 BCEDRP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978870 387836974 /nfs/dbraw/zinc/83/69/74/387836974.db2.gz OGQWYPPVMJVPHE-GHMZBOCLSA-N 2 0 248.334 0.222 20 30 BCEDRP C=CCn1cc(C[NH2+][C@H](C)CCC[NH3+])nn1 ZINC000424386768 388001444 /nfs/dbraw/zinc/00/14/44/388001444.db2.gz XWYVOXXOAKZEAE-SNVBAGLBSA-N 2 0 223.324 0.681 20 30 BCEDRP C#CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000491439813 388294620 /nfs/dbraw/zinc/29/46/20/388294620.db2.gz LYUGZHOARGBCFZ-CQSZACIVSA-N 2 0 249.358 0.154 20 30 BCEDRP C[NH+](C)CCOc1ccccc1CNC(N)=[NH2+] ZINC000303269216 134233344 /nfs/dbraw/zinc/23/33/44/134233344.db2.gz ZXIQUDIFNJKOBH-UHFFFAOYSA-N 2 0 236.319 0.400 20 30 BCEDRP C=CCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000264088849 135132535 /nfs/dbraw/zinc/13/25/35/135132535.db2.gz KIEHZVRFGZBWIG-UHFFFAOYSA-N 2 0 224.352 0.809 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[NH+]2CCCCC2)N1 ZINC000261537332 135174203 /nfs/dbraw/zinc/17/42/03/135174203.db2.gz VHQJKYRABOKERG-SNVBAGLBSA-N 2 0 210.325 0.410 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000261538284 135175336 /nfs/dbraw/zinc/17/53/36/135175336.db2.gz XQUBUQMIGQJHGW-JTQLQIEISA-N 2 0 210.325 0.219 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261723771 135248487 /nfs/dbraw/zinc/24/84/87/135248487.db2.gz GFGWYWFSBPROCX-MNOVXSKESA-N 2 0 240.351 0.021 20 30 BCEDRP CC[N@@H+]1CC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262000461 135271318 /nfs/dbraw/zinc/27/13/18/135271318.db2.gz PLKKKJJOYVWYAO-LLVKDONJSA-N 2 0 226.368 0.807 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000262501242 135302937 /nfs/dbraw/zinc/30/29/37/135302937.db2.gz ZDQVFMLGMIGYJG-MRVPVSSYSA-N 2 0 234.294 0.640 20 30 BCEDRP CCC[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676434 135313053 /nfs/dbraw/zinc/31/30/53/135313053.db2.gz UBIDUZKDUJTUPI-MNOVXSKESA-N 2 0 224.352 0.656 20 30 BCEDRP COCC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262681246 135313333 /nfs/dbraw/zinc/31/33/33/135313333.db2.gz WFGYJLFMAUIDOG-GHMZBOCLSA-N 2 0 240.351 0.035 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491674943 398059716 /nfs/dbraw/zinc/05/97/16/398059716.db2.gz STSJQYNQWMGPBW-NEPJUHHUSA-N 2 0 237.347 0.198 20 30 BCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724268 166365010 /nfs/dbraw/zinc/36/50/10/166365010.db2.gz VGEOCPKKDGYPPP-LLVKDONJSA-N 2 0 225.336 0.349 20 30 BCEDRP C=CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000078802658 166374938 /nfs/dbraw/zinc/37/49/38/166374938.db2.gz QIAFYPFSCINFGY-UHFFFAOYSA-N 2 0 242.367 0.307 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662411995 412155953 /nfs/dbraw/zinc/15/59/53/412155953.db2.gz NYPARUMCFRXYEP-WCQYABFASA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662812047 412307967 /nfs/dbraw/zinc/30/79/67/412307967.db2.gz DWEQCNPMSJERJG-NQBHXWOUSA-N 2 0 237.347 0.490 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]1 ZINC000662762828 412293674 /nfs/dbraw/zinc/29/36/74/412293674.db2.gz FGUWCQIWKQDOSZ-LBPRGKRZSA-N 2 0 223.320 0.020 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000662763453 412293737 /nfs/dbraw/zinc/29/37/37/412293737.db2.gz CAVIQTKFAWOZGV-AAEUAGOBSA-N 2 0 237.347 0.538 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H](C)CC[NH3+])CCC[NH2+]1 ZINC000662763778 412293905 /nfs/dbraw/zinc/29/39/05/412293905.db2.gz JHCVVULXKRQNOH-PWSUYJOCSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000662763455 412294059 /nfs/dbraw/zinc/29/40/59/412294059.db2.gz CAVIQTKFAWOZGV-WCQYABFASA-N 2 0 237.347 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662773655 412298355 /nfs/dbraw/zinc/29/83/55/412298355.db2.gz JCYCKSTVLQKFAJ-GXSJLCMTSA-N 2 0 211.309 0.148 20 30 BCEDRP C[N@H+](C[C@H](O)CNCC1(CC#N)CC1)C1CC1 ZINC000570325144 323056279 /nfs/dbraw/zinc/05/62/79/323056279.db2.gz NBMPUFKOKWVIPT-GFCCVEGCSA-N 2 0 237.347 0.725 20 30 BCEDRP C=CC[N@@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000563628330 323132368 /nfs/dbraw/zinc/13/23/68/323132368.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 0 242.363 0.576 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCC)C1 ZINC000264077234 534843594 /nfs/dbraw/zinc/84/35/94/534843594.db2.gz GEOJQEGSHHOPBX-LLVKDONJSA-N 2 0 224.352 0.809 20 30 BCEDRP CN1CC[NH+]=C1NCC1([NH+](C)C)CCCC1 ZINC000261585489 536110878 /nfs/dbraw/zinc/11/08/78/536110878.db2.gz QLDCQPDVKIANSD-UHFFFAOYSA-N 2 0 224.352 0.752 20 30 BCEDRP C[NH+](C)C1(CNC(=[NH2+])NC2CC2)CCOCC1 ZINC000114053929 536110926 /nfs/dbraw/zinc/11/09/26/536110926.db2.gz PHFKGBXQWJPWDW-UHFFFAOYSA-N 2 0 240.351 0.164 20 30 BCEDRP CNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262324522 536304427 /nfs/dbraw/zinc/30/44/27/536304427.db2.gz DCJFWLOBHAMKSG-UHFFFAOYSA-N 2 0 210.325 0.537 20 30 BCEDRP CN1CCC[NH+]=C1NCC[C@H]1CCC[N@H+](C)C1 ZINC000263133645 536382400 /nfs/dbraw/zinc/38/24/00/536382400.db2.gz NIVZQQVOBWPSFI-GFCCVEGCSA-N 2 0 238.379 0.999 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000111994597 588778057 /nfs/dbraw/zinc/77/80/57/588778057.db2.gz IHYNQSUVLTXIRB-LLVKDONJSA-N 2 0 224.352 0.928 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856489349 588873877 /nfs/dbraw/zinc/87/38/77/588873877.db2.gz MNSQQTHULNFWNE-GFCCVEGCSA-N 2 0 239.363 0.561 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000104191723 583163036 /nfs/dbraw/zinc/16/30/36/583163036.db2.gz RQTXNBRXTFDORC-JTQLQIEISA-N 2 0 230.356 0.266 20 30 BCEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895197096 583623189 /nfs/dbraw/zinc/62/31/89/583623189.db2.gz PDINTSBQEHFMBY-LLVKDONJSA-N 2 0 241.335 0.298 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000900938165 584367432 /nfs/dbraw/zinc/36/74/32/584367432.db2.gz OYIYYVJXRIOZIB-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C#C[C@@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930079 584824272 /nfs/dbraw/zinc/82/42/72/584824272.db2.gz RLBXPLGXHIVPTD-WTUNAVPPSA-N 2 0 234.343 0.851 20 30 BCEDRP C#CCN1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC000730277104 584898793 /nfs/dbraw/zinc/89/87/93/584898793.db2.gz XGFGPXVGEGDFLN-LBPRGKRZSA-N 2 0 246.314 0.097 20 30 BCEDRP Cc1ncc(C=NNC(N)=[NH2+])n1-c1ccccc1 ZINC000755633839 585302881 /nfs/dbraw/zinc/30/28/81/585302881.db2.gz OOPABCQQUFBEHW-UHFFFAOYSA-N 2 0 242.286 0.998 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000763961460 585457902 /nfs/dbraw/zinc/45/79/02/585457902.db2.gz GOZUVCXUEJPBNL-UHFFFAOYSA-N 2 0 225.336 0.315 20 30 BCEDRP CC[N@@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779793855 585764138 /nfs/dbraw/zinc/76/41/38/585764138.db2.gz BFCMCDNVPRYUOY-VHSXEESVSA-N 2 0 237.351 0.641 20 30 BCEDRP C#CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629988 587561413 /nfs/dbraw/zinc/56/14/13/587561413.db2.gz CPZYWZTYNOGJBK-UHFFFAOYSA-N 2 0 208.305 0.416 20 30 BCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000834484879 587756616 /nfs/dbraw/zinc/75/66/16/587756616.db2.gz OOCKCWZGAJURRK-QWRGUYRKSA-N 2 0 238.335 0.123 20 30 BCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000834484880 587756858 /nfs/dbraw/zinc/75/68/58/587756858.db2.gz OOCKCWZGAJURRK-WDEREUQCSA-N 2 0 238.335 0.123 20 30 BCEDRP C#CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000847012909 588301509 /nfs/dbraw/zinc/30/15/09/588301509.db2.gz SRSNWJMFRNMGLY-ZDUSSCGKSA-N 2 0 224.348 0.644 20 30 BCEDRP C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848721149 588408378 /nfs/dbraw/zinc/40/83/78/588408378.db2.gz BPCUMJZEMNDHIB-QWRGUYRKSA-N 2 0 246.376 0.447 20 30 BCEDRP CN1CC[NH+]=C1NCCC[NH+]1CCCCC1 ZINC000848982618 588424608 /nfs/dbraw/zinc/42/46/08/588424608.db2.gz KLEJCZBOMLMOJW-UHFFFAOYSA-N 2 0 224.352 0.753 20 30 BCEDRP CN(C)C(=[NH+]CCCC[NH+](C)C)N(C)C ZINC000848990065 588426792 /nfs/dbraw/zinc/42/67/92/588426792.db2.gz WNQWTRWPYGWLST-UHFFFAOYSA-N 2 0 214.357 0.807 20 30 BCEDRP C[C@@H]1CC[N@H+](CCNC2=[NH+]C[C@@H](C)N2)C1 ZINC000849004266 588431890 /nfs/dbraw/zinc/43/18/90/588431890.db2.gz KCZKJPGOZMACKK-NXEZZACHSA-N 2 0 210.325 0.266 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004777 588432112 /nfs/dbraw/zinc/43/21/12/588432112.db2.gz ZBQDJFWILHCHRN-SNVBAGLBSA-N 2 0 210.325 0.628 20 30 BCEDRP C[NH+]=C(NC[C@H]1CCC[N@H+](C)C1)NC1CC1 ZINC000849005597 588432430 /nfs/dbraw/zinc/43/24/30/588432430.db2.gz ZQIBXWWHDQMCQT-SNVBAGLBSA-N 2 0 224.352 0.656 20 30 BCEDRP CN(C)C(=[NH+]C[C@H]1C[C@@H]([NH+](C)C)C1)N(C)C ZINC000849048543 588451117 /nfs/dbraw/zinc/45/11/17/588451117.db2.gz ISBZOLBEFINDKP-PHIMTYICSA-N 2 0 226.368 0.806 20 30 BCEDRP [NH3+]CC1(NC(=O)C#CC2CC[NH2+]CC2)CCCC1 ZINC000852796604 588703501 /nfs/dbraw/zinc/70/35/01/588703501.db2.gz GQAAOIBPIHNOCF-UHFFFAOYSA-N 2 0 249.358 0.377 20 30 BCEDRP C[C@@](C[NH3+])(NC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852797256 588703622 /nfs/dbraw/zinc/70/36/22/588703622.db2.gz NFOCZYNXMMKMRP-AWEZNQCLSA-N 2 0 249.358 0.233 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858586 588708889 /nfs/dbraw/zinc/70/88/89/588708889.db2.gz FBTFNJOWEGAMKC-ZDUSSCGKSA-N 2 0 249.358 0.057 20 30 BCEDRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874032 588709718 /nfs/dbraw/zinc/70/97/18/588709718.db2.gz JKFFGKMFPQZIAG-WCQYABFASA-N 2 0 249.358 0.185 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCC1=CC[NH2+]CC1 ZINC000852876731 588710357 /nfs/dbraw/zinc/71/03/57/588710357.db2.gz QUCVCNVFVLMZTH-UHFFFAOYSA-N 2 0 247.342 0.025 20 30 BCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852877555 588710369 /nfs/dbraw/zinc/71/03/69/588710369.db2.gz AFRKOLXFLRWUBQ-AAEUAGOBSA-N 2 0 249.358 0.246 20 30 BCEDRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852876564 588710509 /nfs/dbraw/zinc/71/05/09/588710509.db2.gz LQEZALAYUGILSA-AAEUAGOBSA-N 2 0 249.358 0.104 20 30 BCEDRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852878380 588710667 /nfs/dbraw/zinc/71/06/67/588710667.db2.gz JLHXVNRGZUTKIA-WCQYABFASA-N 2 0 249.358 0.104 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000862725945 589236841 /nfs/dbraw/zinc/23/68/41/589236841.db2.gz CNRZWLKUMADOOK-LLVKDONJSA-N 2 0 225.336 0.315 20 30 BCEDRP C[N@@H+]1CCC(=[NH+]n2cnnc2)CC1(C)C ZINC000863062561 589253612 /nfs/dbraw/zinc/25/36/12/589253612.db2.gz DVZQBRBKVRAYRK-UHFFFAOYSA-N 2 0 207.281 0.986 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864465764 589370711 /nfs/dbraw/zinc/37/07/11/589370711.db2.gz BUPUEVYVXJFCID-GHMZBOCLSA-N 2 0 222.336 0.464 20 30 BCEDRP C=CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709520 589514564 /nfs/dbraw/zinc/51/45/64/589514564.db2.gz RSPPLXRSRYAODU-MXWKQRLJSA-N 2 0 237.303 0.039 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000876522000 590207372 /nfs/dbraw/zinc/20/73/72/590207372.db2.gz DMINWLAUHCOBTF-SECBINFHSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876504645 590204172 /nfs/dbraw/zinc/20/41/72/590204172.db2.gz RQXNCGWVGKMNNK-BDAKNGLRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514787 590206303 /nfs/dbraw/zinc/20/63/03/590206303.db2.gz ZKOZMCGYQKBLAC-ZJUUUORDSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876521939 590207465 /nfs/dbraw/zinc/20/74/65/590207465.db2.gz BZUWEYSGRPTNFY-IUCAKERBSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000876526651 590208667 /nfs/dbraw/zinc/20/86/67/590208667.db2.gz ZKNQYAAKJQQFIV-ZJUUUORDSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000876529465 590209627 /nfs/dbraw/zinc/20/96/27/590209627.db2.gz DJDQOYCALNVHAM-SECBINFHSA-N 2 0 245.754 0.844 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876529079 590209733 /nfs/dbraw/zinc/20/97/33/590209733.db2.gz DZMOKDMMUPTJDL-KOLCDFICSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000876528921 590209883 /nfs/dbraw/zinc/20/98/83/590209883.db2.gz AXRIQPBUPABQAW-JTQLQIEISA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000876532450 590210220 /nfs/dbraw/zinc/21/02/20/590210220.db2.gz HEUYEXGVWMGLKC-ZJUUUORDSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534096 590210971 /nfs/dbraw/zinc/21/09/71/590210971.db2.gz OEXBRLHHUPIMIL-IUCAKERBSA-N 2 0 233.743 0.556 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000876541251 590212360 /nfs/dbraw/zinc/21/23/60/590212360.db2.gz VZZUIWJCGDLQGB-VHSXEESVSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000876794915 590239729 /nfs/dbraw/zinc/23/97/29/590239729.db2.gz BVQBSFSDFDZRRX-UTLUCORTSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826003 590246258 /nfs/dbraw/zinc/24/62/58/590246258.db2.gz AXFZYWYUJAWOBR-UWVGGRQHSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829015 590246662 /nfs/dbraw/zinc/24/66/62/590246662.db2.gz NKXHPBVJLFCKHN-BBBLOLIVSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829017 590246757 /nfs/dbraw/zinc/24/67/57/590246757.db2.gz NKXHPBVJLFCKHN-UTLUCORTSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000876840869 590248283 /nfs/dbraw/zinc/24/82/83/590248283.db2.gz YSGCYTZOGWMENA-ONGXEEELSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000876840867 590248412 /nfs/dbraw/zinc/24/84/12/590248412.db2.gz YSGCYTZOGWMENA-KOLCDFICSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836620 590248514 /nfs/dbraw/zinc/24/85/14/590248514.db2.gz DWGSSOXROKHPHL-BDAKNGLRSA-N 2 0 233.743 0.571 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856396 590250244 /nfs/dbraw/zinc/25/02/44/590250244.db2.gz NSLRLUINHBIRCG-XHNCKOQMSA-N 2 0 249.717 0.273 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000876869351 590251483 /nfs/dbraw/zinc/25/14/83/590251483.db2.gz DTUBAEAYBJLOLJ-BBBLOLIVSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870988 590252071 /nfs/dbraw/zinc/25/20/71/590252071.db2.gz FRIQMRIZOMEILU-RKDXNWHRSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000876925748 590257938 /nfs/dbraw/zinc/25/79/38/590257938.db2.gz OINKMIBNFBGLJR-AEJSXWLSSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H](C)[NH+](C)C ZINC000876960840 590261522 /nfs/dbraw/zinc/26/15/22/590261522.db2.gz ODCNAGGJLJVCOF-NXEZZACHSA-N 2 0 247.770 0.913 20 30 BCEDRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000877104201 590284209 /nfs/dbraw/zinc/28/42/09/590284209.db2.gz FBFMGBQXXHFVLJ-VHSXEESVSA-N 2 0 226.324 0.203 20 30 BCEDRP C=CC(C)(C)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000884041883 591823012 /nfs/dbraw/zinc/82/30/12/591823012.db2.gz KABQJECZZCDRLO-LLVKDONJSA-N 2 0 239.363 0.690 20 30 BCEDRP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933736580 631498892 /nfs/dbraw/zinc/49/88/92/631498892.db2.gz XADMJTWLESFFKR-UPJWGTAASA-N 2 0 224.348 0.807 20 30 BCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314886 635651215 /nfs/dbraw/zinc/65/12/15/635651215.db2.gz FIDKUSQFTZWQMM-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP CCCC[N@H+](C)CCNC1=[NH+]CCN1C ZINC000849005837 631908480 /nfs/dbraw/zinc/90/84/80/631908480.db2.gz VRUGPZXIDWQGDN-UHFFFAOYSA-N 2 0 212.341 0.609 20 30 BCEDRP CNC(NC[C@@H]1CCC[N@@H+](C(C)C)C1)=[NH+]C ZINC000161527484 632072157 /nfs/dbraw/zinc/07/21/57/632072157.db2.gz DUWOZIBDAWMLGW-NSHDSACASA-N 2 0 226.368 0.902 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973359 632089614 /nfs/dbraw/zinc/08/96/14/632089614.db2.gz IEQXNUZUTPUAOX-RWMBFGLXSA-N 2 0 249.358 0.198 20 30 BCEDRP CN(C)C(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000170913367 633178250 /nfs/dbraw/zinc/17/82/50/633178250.db2.gz TVUZBXPDLOAMQR-UHFFFAOYSA-N 2 0 212.341 0.739 20 30 BCEDRP C#CCN(C)CCC[NH2+]CC1(C)COC1 ZINC000328017540 633213175 /nfs/dbraw/zinc/21/31/75/633213175.db2.gz RPMSSDYEKBHQSM-UHFFFAOYSA-N 2 0 210.321 0.568 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000172838626 633232273 /nfs/dbraw/zinc/23/22/73/633232273.db2.gz NZLSCZRYWOXXLX-JTQLQIEISA-N 2 0 242.367 0.458 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928445082 635948598 /nfs/dbraw/zinc/94/85/98/635948598.db2.gz WQCUSOCQQMNZBH-MNOVXSKESA-N 2 0 225.336 0.313 20 30 BCEDRP C[NH+]1CCC(C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000895109855 636060883 /nfs/dbraw/zinc/06/08/83/636060883.db2.gz XJDBEIVXESIFOZ-ZDUSSCGKSA-N 2 0 237.347 0.679 20 30 BCEDRP CCOCCCNC(=[NH2+])NCCC[NH+](C)C ZINC000104152815 634215657 /nfs/dbraw/zinc/21/56/57/634215657.db2.gz FIWGAZHPJDDOKF-UHFFFAOYSA-N 2 0 230.356 0.269 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000303386903 636308233 /nfs/dbraw/zinc/30/82/33/636308233.db2.gz AWMMXMMUWYPAMZ-LLVKDONJSA-N 2 0 224.352 0.798 20 30 BCEDRP CC[NH+]1CCC(CCNC(=[NH2+])NC)CC1 ZINC000304303687 636322659 /nfs/dbraw/zinc/32/26/59/636322659.db2.gz MBUQBEVPXMBNAX-UHFFFAOYSA-N 2 0 212.341 0.643 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987518666 636651030 /nfs/dbraw/zinc/65/10/30/636651030.db2.gz MRGLRWUBMXLZOM-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987518665 636651342 /nfs/dbraw/zinc/65/13/42/636651342.db2.gz MRGLRWUBMXLZOM-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NOCC[NH+](C)C ZINC000908527979 638998185 /nfs/dbraw/zinc/99/81/85/638998185.db2.gz LUDJZMJBBDSBEF-UHFFFAOYSA-N 2 0 229.324 0.104 20 30 BCEDRP CN(CCC[NH+]1CCCC1)C[C@H](O)CC#N ZINC000930311014 639697259 /nfs/dbraw/zinc/69/72/59/639697259.db2.gz WGOGQDXCIVCQEH-GFCCVEGCSA-N 2 0 225.336 0.679 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911647182 639700273 /nfs/dbraw/zinc/70/02/73/639700273.db2.gz SVGPOGSERSTFGW-JTQLQIEISA-N 2 0 211.309 0.102 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713973 639739634 /nfs/dbraw/zinc/73/96/34/639739634.db2.gz NBVCXZXSSLONHK-VXGBXAGGSA-N 2 0 239.363 0.928 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705736 639757490 /nfs/dbraw/zinc/75/74/90/639757490.db2.gz BUWZUJQXLKDASY-NEPJUHHUSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705737 639758332 /nfs/dbraw/zinc/75/83/32/639758332.db2.gz BUWZUJQXLKDASY-NWDGAFQWSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736602 639762302 /nfs/dbraw/zinc/76/23/02/639762302.db2.gz MQKUXZGTGICXHG-NWDGAFQWSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911769635 639793511 /nfs/dbraw/zinc/79/35/11/639793511.db2.gz WHOHALNZBCSRKW-VXGBXAGGSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769633 639794350 /nfs/dbraw/zinc/79/43/50/639794350.db2.gz WHOHALNZBCSRKW-NWDGAFQWSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911775326 639795589 /nfs/dbraw/zinc/79/55/89/639795589.db2.gz RHIHWIYQNFIQPW-VXGBXAGGSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787833 639805918 /nfs/dbraw/zinc/80/59/18/639805918.db2.gz WIXXKAHOYBIOLP-GFCCVEGCSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000911811399 639832676 /nfs/dbraw/zinc/83/26/76/639832676.db2.gz ACRSGJBIAGDUGX-NXEZZACHSA-N 2 0 213.325 0.476 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827134 639839791 /nfs/dbraw/zinc/83/97/91/639839791.db2.gz SQTVIMSSSDVVBE-MNOVXSKESA-N 2 0 227.352 0.770 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869332 639853504 /nfs/dbraw/zinc/85/35/04/639853504.db2.gz UZOAZEJTIZSTHN-VXGBXAGGSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000911846485 639856997 /nfs/dbraw/zinc/85/69/97/639856997.db2.gz HGPQKCGQVUTGAF-LLVKDONJSA-N 2 0 239.363 0.880 20 30 BCEDRP C#CCNC(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439747 640206001 /nfs/dbraw/zinc/20/60/01/640206001.db2.gz YTEIBYYGAYCZKF-OLZOCXBDSA-N 2 0 249.358 0.009 20 30 BCEDRP C[N@@H+]1CC[C@@H]2CN(C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265399 /nfs/dbraw/zinc/26/53/99/640265399.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 0 223.320 0.287 20 30 BCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N(C)C ZINC000170913330 640938268 /nfs/dbraw/zinc/93/82/68/640938268.db2.gz DTXIMAPQCFCIAQ-SNVBAGLBSA-N 2 0 212.341 0.737 20 30 BCEDRP CCC[NH+]1CCC(CNC(=[NH2+])N(C)C)CC1 ZINC000170909683 640937396 /nfs/dbraw/zinc/93/73/96/640937396.db2.gz HYLVUYKPMBQMCT-UHFFFAOYSA-N 2 0 226.368 0.985 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000170913292 640938640 /nfs/dbraw/zinc/93/86/40/640938640.db2.gz VOOLKOGVMWIIME-MNOVXSKESA-N 2 0 226.368 0.983 20 30 BCEDRP C[NH+]=C(NCCC[NH+]1CCCC1)NC1CC1 ZINC000171408502 640975774 /nfs/dbraw/zinc/97/57/74/640975774.db2.gz RPISLSAPHCFRIT-UHFFFAOYSA-N 2 0 224.352 0.800 20 30 BCEDRP C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014954108 641212568 /nfs/dbraw/zinc/21/25/68/641212568.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCSCC1 ZINC000262512354 641861060 /nfs/dbraw/zinc/86/10/60/641861060.db2.gz DRMMJFKLGOSLQI-UHFFFAOYSA-N 2 0 244.408 0.738 20 30 BCEDRP C#CCCN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260947 641868002 /nfs/dbraw/zinc/86/80/02/641868002.db2.gz YXWOCRKQMWTYPU-LBPRGKRZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCN(CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000920096043 642434618 /nfs/dbraw/zinc/43/46/18/642434618.db2.gz UUDROTFGMTXVDF-GFCCVEGCSA-N 2 0 210.321 0.398 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021895507 642441727 /nfs/dbraw/zinc/44/17/27/642441727.db2.gz OUMKBAVIHWMBIP-TUAOUCFPSA-N 2 0 237.347 0.503 20 30 BCEDRP CN(C(=[NH2+])NCC(C)(C)C[NH+](C)C)C1CC1 ZINC000305838970 642705848 /nfs/dbraw/zinc/70/58/48/642705848.db2.gz YGBHKNLUCALLDP-UHFFFAOYSA-N 2 0 226.368 0.983 20 30 BCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962560785 642731872 /nfs/dbraw/zinc/73/18/72/642731872.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 2 0 249.358 0.171 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968903962 642821878 /nfs/dbraw/zinc/82/18/78/642821878.db2.gz CUDGRNDPEQDYDU-GFCCVEGCSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016256948 642952342 /nfs/dbraw/zinc/95/23/42/642952342.db2.gz TXAPAFJHEVLHCO-NEPJUHHUSA-N 2 0 237.347 0.315 20 30 BCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251554 642953251 /nfs/dbraw/zinc/95/32/51/642953251.db2.gz VSQCMSQMPHZFKE-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253163 642953305 /nfs/dbraw/zinc/95/33/05/642953305.db2.gz XSOFWKXWFKTXJE-ZDUSSCGKSA-N 2 0 249.358 0.296 20 30 BCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248624 642954213 /nfs/dbraw/zinc/95/42/13/642954213.db2.gz CGUAALGCDRLMSR-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018965304 643015129 /nfs/dbraw/zinc/01/51/29/643015129.db2.gz ZNJDGROTHRHMBY-STQMWFEESA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019321362 643027990 /nfs/dbraw/zinc/02/79/90/643027990.db2.gz FJALYODQLPQGPJ-ZDUSSCGKSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019660034 643039872 /nfs/dbraw/zinc/03/98/72/643039872.db2.gz ZHMNMFQDOQMNNI-LBPRGKRZSA-N 2 0 249.358 0.459 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020585293 643220444 /nfs/dbraw/zinc/22/04/44/643220444.db2.gz PQBJXZFCUSSRID-JHJVBQTASA-N 2 0 249.358 0.341 20 30 BCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186768 643282221 /nfs/dbraw/zinc/28/22/21/643282221.db2.gz WHGMBMHPLKDNCC-CYBMUJFWSA-N 2 0 249.358 0.009 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020925153 643339492 /nfs/dbraw/zinc/33/94/92/643339492.db2.gz IEQXNUZUTPUAOX-JHJVBQTASA-N 2 0 249.358 0.198 20 30 BCEDRP CNC(NCCC1CC[NH+](C)CC1)=[NH+]C ZINC000303257848 643577078 /nfs/dbraw/zinc/57/70/78/643577078.db2.gz JWHJHEIFIVZBDB-UHFFFAOYSA-N 2 0 212.341 0.513 20 30 BCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000921026 643799165 /nfs/dbraw/zinc/79/91/65/643799165.db2.gz UQJSNDSKOSISPF-CYBMUJFWSA-N 2 0 249.358 0.296 20 30 BCEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000923276741 644309339 /nfs/dbraw/zinc/30/93/39/644309339.db2.gz BJQVOJFKFSBAAH-LBPRGKRZSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000923280005 644310693 /nfs/dbraw/zinc/31/06/93/644310693.db2.gz WCVQTTBMJXNANU-LBPRGKRZSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923286008 644320773 /nfs/dbraw/zinc/32/07/73/644320773.db2.gz KXMYHMPSHICNBP-VXGBXAGGSA-N 2 0 212.337 0.855 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923291811 644330452 /nfs/dbraw/zinc/33/04/52/644330452.db2.gz UONHXDFCHAHXDA-WOPDTQHZSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355542 644371533 /nfs/dbraw/zinc/37/15/33/644371533.db2.gz NJGDIQXRUZEMFH-VXGBXAGGSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@@H](O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923379884 644393913 /nfs/dbraw/zinc/39/39/13/644393913.db2.gz BDKTYPOEXMZVMW-LLVKDONJSA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411752 644414433 /nfs/dbraw/zinc/41/44/33/644414433.db2.gz RKAGFGQXRHSQMV-UTUOFQBUSA-N 2 0 212.337 0.840 20 30 BCEDRP C=CCC[C@@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474892 644453391 /nfs/dbraw/zinc/45/33/91/644453391.db2.gz WWFGKWRZTZWCRE-NEPJUHHUSA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000786447765 644775250 /nfs/dbraw/zinc/77/52/50/644775250.db2.gz YMIZVQIYXNOLOT-LBPRGKRZSA-N 2 0 212.337 0.951 20 30 BCEDRP CNC(NCC[NH+]1CCC(C)CC1)=[NH+]C ZINC000303259490 644813792 /nfs/dbraw/zinc/81/37/92/644813792.db2.gz MCEYXTPNZAYBSV-UHFFFAOYSA-N 2 0 212.341 0.513 20 30 BCEDRP CNC(NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000303252172 644812172 /nfs/dbraw/zinc/81/21/72/644812172.db2.gz BERDAOISNZZKOY-PHIMTYICSA-N 2 0 242.367 0.281 20 30 BCEDRP CNC(NC[C@H](C)[NH+]1CCC(C)CC1)=[NH+]C ZINC000303265100 644813267 /nfs/dbraw/zinc/81/32/67/644813267.db2.gz TZIRRPPBHAODOO-NSHDSACASA-N 2 0 226.368 0.902 20 30 BCEDRP CCNC(NC[C@@H]1CCC[N@@H+]1C)=[NH+]CC ZINC000303256284 644813918 /nfs/dbraw/zinc/81/39/18/644813918.db2.gz HUQYHNRRNJZWIP-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP CCN(CC)C(=[NH2+])NCCC[NH+](C)C ZINC000303719534 644840244 /nfs/dbraw/zinc/84/02/44/644840244.db2.gz VXXNFJJZMYKLTJ-UHFFFAOYSA-N 2 0 200.330 0.595 20 30 BCEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303724661 644842479 /nfs/dbraw/zinc/84/24/79/644842479.db2.gz ZVSXYHUZJMNQDH-JTQLQIEISA-N 2 0 230.356 0.267 20 30 BCEDRP CCOCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303785693 644846368 /nfs/dbraw/zinc/84/63/68/644846368.db2.gz QOLORMYRZWEWFU-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP CC(C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303896735 644855868 /nfs/dbraw/zinc/85/58/68/644855868.db2.gz UTEOGEWMWJVTAY-SNVBAGLBSA-N 2 0 212.341 0.639 20 30 BCEDRP CCN(CC)C(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303976501 644861016 /nfs/dbraw/zinc/86/10/16/644861016.db2.gz KGWJAPIGYAXBGL-UHFFFAOYSA-N 2 0 214.357 0.983 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303968780 644860843 /nfs/dbraw/zinc/86/08/43/644860843.db2.gz AZOUNSNICVNYAI-UWVGGRQHSA-N 2 0 242.367 0.408 20 30 BCEDRP CC[N@H+](CCNC(=[NH2+])N[C@@H](C)COC)C1CC1 ZINC000303969841 644861846 /nfs/dbraw/zinc/86/18/46/644861846.db2.gz CFVDGCZXZSGUNW-JTQLQIEISA-N 2 0 242.367 0.410 20 30 BCEDRP C#CC[C@@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000716936163 712597682 /nfs/dbraw/zinc/59/76/82/712597682.db2.gz RIDWVHIJIFBSQW-ZDUSSCGKSA-N 2 0 224.348 0.956 20 30 BCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661913 712012070 /nfs/dbraw/zinc/01/20/70/712012070.db2.gz NKEALMLVNZETBP-QWHCGFSZSA-N 2 0 249.358 0.104 20 30 BCEDRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000709492470 712222978 /nfs/dbraw/zinc/22/29/78/712222978.db2.gz AGFSANTZDITARJ-SNVBAGLBSA-N 2 0 226.324 0.075 20 30 BCEDRP C#CCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229833368 712354908 /nfs/dbraw/zinc/35/49/08/712354908.db2.gz LCSZFVVBPSPTCF-GFCCVEGCSA-N 2 0 210.321 0.446 20 30 BCEDRP C=CC[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000714996636 712503502 /nfs/dbraw/zinc/50/35/02/712503502.db2.gz SKBGLRUBSFSQRK-CHWSQXEVSA-N 2 0 223.364 0.931 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000876796311 712629705 /nfs/dbraw/zinc/62/97/05/712629705.db2.gz KFLLCEWLXIHVSO-BBBLOLIVSA-N 2 0 245.754 0.665 20 30 BCEDRP CN1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721262 344363080 /nfs/dbraw/zinc/36/30/80/344363080.db2.gz KPKPKZGJUHISJS-RYUDHWBXSA-N 2 0 237.347 0.725 20 30 BCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729273 344363989 /nfs/dbraw/zinc/36/39/89/344363989.db2.gz XDQADCHSBMDWJD-VXGBXAGGSA-N 2 0 239.363 0.971 20 30 BCEDRP N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867411 345688002 /nfs/dbraw/zinc/68/80/02/345688002.db2.gz FCWQDBXPCUQQPR-WYUUTHIRSA-N 2 0 205.305 0.830 20 30 BCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188108 349965683 /nfs/dbraw/zinc/96/56/83/349965683.db2.gz BCNSBUOIXJYYKS-NSHDSACASA-N 2 0 239.363 0.738 20 30 BCEDRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594427965 348044598 /nfs/dbraw/zinc/04/45/98/348044598.db2.gz YPDHJUKVNVFYKZ-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000594426366 348052243 /nfs/dbraw/zinc/05/22/43/348052243.db2.gz OPMMXQXXYXDNBC-LLVKDONJSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438083 348053470 /nfs/dbraw/zinc/05/34/70/348053470.db2.gz GCMYDHQXDYABDQ-VHSXEESVSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@H](C[NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438221 348054222 /nfs/dbraw/zinc/05/42/22/348054222.db2.gz HWVKUVIAZXZURE-NXEZZACHSA-N 2 0 226.324 0.109 20 30 BCEDRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595984297 348418390 /nfs/dbraw/zinc/41/83/90/348418390.db2.gz RDZYEOASRNECEO-UWVGGRQHSA-N 2 0 226.324 0.122 20 30 BCEDRP C[C@@]1(NC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]C1 ZINC000595987761 348419922 /nfs/dbraw/zinc/41/99/22/348419922.db2.gz WUYVJLXPDAYJNZ-ZYHUDNBSSA-N 2 0 238.335 0.266 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271815973 351439093 /nfs/dbraw/zinc/43/90/93/351439093.db2.gz OCFTVYRYXMIBJM-JTQLQIEISA-N 2 0 240.351 0.188 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192111183 353542699 /nfs/dbraw/zinc/54/26/99/353542699.db2.gz DYGFJEVTXSWUFO-WDEREUQCSA-N 2 0 239.363 0.736 20 30 BCEDRP C=CCSCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000231942130 353675695 /nfs/dbraw/zinc/67/56/95/353675695.db2.gz WFJZHUNEUNWSBR-LBPRGKRZSA-N 2 0 244.404 0.952 20 30 BCEDRP CC#CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044950 354112839 /nfs/dbraw/zinc/11/28/39/354112839.db2.gz XVYAFBDDXURNDH-UHFFFAOYSA-N 2 0 225.380 0.825 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420309979 192211298 /nfs/dbraw/zinc/21/12/98/192211298.db2.gz PFGZGZHMRMANRS-RVMXOQNASA-N 2 0 249.358 0.442 20 30 BCEDRP C#CCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000371203998 134228059 /nfs/dbraw/zinc/22/80/59/134228059.db2.gz FBHQATHXJDCPMF-AWEZNQCLSA-N 2 0 235.375 0.722 20 30 BCEDRP CC#CCN(C)CC#CCN(C)CC#CC ZINC000293209529 491121512 /nfs/dbraw/zinc/12/15/12/491121512.db2.gz REGUDGQPBOSMDQ-UHFFFAOYSA-N 2 0 216.328 0.900 20 30 BCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424080062 200856855 /nfs/dbraw/zinc/85/68/55/200856855.db2.gz SCOVIZCVHBYEIZ-JQWIXIFHSA-N 2 0 240.351 0.497 20 30 BCEDRP C=CC[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000629547816 361432097 /nfs/dbraw/zinc/43/20/97/361432097.db2.gz GAIHYFRGYDTSHR-ZDUSSCGKSA-N 2 0 223.364 0.790 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584815 361473617 /nfs/dbraw/zinc/47/36/17/361473617.db2.gz URAAAOPXXPLHOX-OLZOCXBDSA-N 2 0 242.363 0.217 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584814 361473785 /nfs/dbraw/zinc/47/37/85/361473785.db2.gz URAAAOPXXPLHOX-CHWSQXEVSA-N 2 0 242.363 0.217 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000621703422 370451103 /nfs/dbraw/zinc/45/11/03/370451103.db2.gz VMXVWPVKKGNFFG-JQWIXIFHSA-N 2 0 225.336 0.538 20 30 BCEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000106290635 384840795 /nfs/dbraw/zinc/84/07/95/384840795.db2.gz DMPHBOKSCAUZES-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000309018384 385372428 /nfs/dbraw/zinc/37/24/28/385372428.db2.gz VPNYXYQGTLYLGZ-NEPJUHHUSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309018387 385372998 /nfs/dbraw/zinc/37/29/98/385372998.db2.gz VPNYXYQGTLYLGZ-VXGBXAGGSA-N 2 0 212.337 0.997 20 30 BCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594449418 385601642 /nfs/dbraw/zinc/60/16/42/385601642.db2.gz IWRZHLUBOBNIHO-GARJFASQSA-N 2 0 240.351 0.640 20 30 BCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000594440473 385601657 /nfs/dbraw/zinc/60/16/57/385601657.db2.gz CWCKSYYDABMLDX-WDEREUQCSA-N 2 0 240.351 0.464 20 30 BCEDRP C#CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261743746 533142964 /nfs/dbraw/zinc/14/29/64/533142964.db2.gz KXHKSVIPVPABDE-WCQYABFASA-N 2 0 248.374 0.657 20 30 BCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424080063 387481083 /nfs/dbraw/zinc/48/10/83/387481083.db2.gz SCOVIZCVHBYEIZ-PWSUYJOCSA-N 2 0 240.351 0.497 20 30 BCEDRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424080691 387482041 /nfs/dbraw/zinc/48/20/41/387482041.db2.gz TYHPVDLZOIGTLL-MNOVXSKESA-N 2 0 240.351 0.497 20 30 BCEDRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CCCC#N ZINC000424080921 387482501 /nfs/dbraw/zinc/48/25/01/387482501.db2.gz UIPGDXGPFXWEPI-SNVBAGLBSA-N 2 0 240.351 0.451 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014364 387836710 /nfs/dbraw/zinc/83/67/10/387836710.db2.gz ICYYMQSFTJOKMV-UTUOFQBUSA-N 2 0 212.337 0.901 20 30 BCEDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442798369 387844493 /nfs/dbraw/zinc/84/44/93/387844493.db2.gz YPWUSWYECVBXJL-NWDGAFQWSA-N 2 0 237.347 0.725 20 30 BCEDRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424164606 387848789 /nfs/dbraw/zinc/84/87/89/387848789.db2.gz XFBMCKSYJXTPLK-HBNTYKKESA-N 2 0 238.335 0.264 20 30 BCEDRP C#CCN(CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491693823 388311517 /nfs/dbraw/zinc/31/15/17/388311517.db2.gz LICRITZCKIRCEM-GFCCVEGCSA-N 2 0 210.321 0.397 20 30 BCEDRP N#CCC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000516771068 388516961 /nfs/dbraw/zinc/51/69/61/388516961.db2.gz YGQHSYQZXFQDMC-GFCCVEGCSA-N 2 0 225.336 0.727 20 30 BCEDRP NC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114849992 134200461 /nfs/dbraw/zinc/20/04/61/134200461.db2.gz PQQXWDCLRAWXRU-GFCCVEGCSA-N 2 0 232.331 0.924 20 30 BCEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1=O ZINC000376001599 134241343 /nfs/dbraw/zinc/24/13/43/134241343.db2.gz VOOCVGQZUMAMMW-FRRDWIJNSA-N 2 0 249.358 0.267 20 30 BCEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000264101353 135133010 /nfs/dbraw/zinc/13/30/10/135133010.db2.gz OBAHYQVYOGMILS-UHFFFAOYSA-N 2 0 240.351 0.189 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000264103912 135133146 /nfs/dbraw/zinc/13/31/46/135133146.db2.gz OWQLBSNNJNHMIY-UHFFFAOYSA-N 2 0 242.367 0.435 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000261531924 135161869 /nfs/dbraw/zinc/16/18/69/135161869.db2.gz IKINYZBCOZMAIR-ZJUUUORDSA-N 2 0 210.325 0.408 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562977 135205279 /nfs/dbraw/zinc/20/52/79/135205279.db2.gz WUDZZRFANDOYLR-SDDRHHMPSA-N 2 0 237.347 0.361 20 30 BCEDRP CN1CC[NH+]=C1NCC1(C)CC[NH+](C)CC1 ZINC000261564230 135206131 /nfs/dbraw/zinc/20/61/31/135206131.db2.gz CKNONXFAAHEJSB-UHFFFAOYSA-N 2 0 224.352 0.609 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262025977 135273888 /nfs/dbraw/zinc/27/38/88/135273888.db2.gz ZJVDNGLNNSNJDS-SNVBAGLBSA-N 2 0 233.319 0.760 20 30 BCEDRP CN(C)C(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262494960 135302782 /nfs/dbraw/zinc/30/27/82/135302782.db2.gz WCGVKPAPDHWMKC-UHFFFAOYSA-N 2 0 224.352 0.880 20 30 BCEDRP C[NH+]=C(N[C@H]1CCN(C2CC2)C1)N(C)C ZINC000262818282 135319953 /nfs/dbraw/zinc/31/99/53/135319953.db2.gz SACZKNXCXNAXRU-VIFPVBQESA-N 2 0 210.325 0.360 20 30 BCEDRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438208 397974021 /nfs/dbraw/zinc/97/40/21/397974021.db2.gz HSVBXPPIQFKCCJ-LLVKDONJSA-N 2 0 240.351 0.513 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000594439558 397974397 /nfs/dbraw/zinc/97/43/97/397974397.db2.gz SAMIXZULPKRGKJ-JTQLQIEISA-N 2 0 238.335 0.395 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662821596 409934517 /nfs/dbraw/zinc/93/45/17/409934517.db2.gz NHWSOBSFDFPVPU-DMDPSCGWSA-N 2 0 239.363 0.927 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662821603 409934747 /nfs/dbraw/zinc/93/47/47/409934747.db2.gz NHWSOBSFDFPVPU-NQBHXWOUSA-N 2 0 239.363 0.927 20 30 BCEDRP C=C[C@H](CO)[NH2+]CCCc1cncn1C ZINC000662168351 412016608 /nfs/dbraw/zinc/01/66/08/412016608.db2.gz CHHSXDIDQLMNRV-SNVBAGLBSA-N 2 0 209.293 0.489 20 30 BCEDRP C=CC[C@@]1(C(=O)NCCC[NH2+]CC)CCC[NH2+]1 ZINC000662398861 412147970 /nfs/dbraw/zinc/14/79/70/412147970.db2.gz DXNOSWSMDFBOQU-ZDUSSCGKSA-N 2 0 239.363 0.801 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662411996 412155321 /nfs/dbraw/zinc/15/53/21/412155321.db2.gz NYPARUMCFRXYEP-YPMHNXCESA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000662758070 412292923 /nfs/dbraw/zinc/29/29/23/412292923.db2.gz QQGALMVUHPVVJB-CMPLNLGQSA-N 2 0 225.336 0.396 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H](C)CC[NH3+])CCC[NH2+]1 ZINC000662763777 412293943 /nfs/dbraw/zinc/29/39/43/412293943.db2.gz JHCVVULXKRQNOH-JQWIXIFHSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000662774480 412298348 /nfs/dbraw/zinc/29/83/48/412298348.db2.gz PPVOTERVVBSHLS-SCRDCRAPSA-N 2 0 249.358 0.363 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H]([NH3+])CC)CCC[NH2+]1 ZINC000662781819 412300871 /nfs/dbraw/zinc/30/08/71/412300871.db2.gz HCMNLAKCRRFPEU-JQWIXIFHSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H]([NH3+])CC)CCC[NH2+]1 ZINC000662781816 412301049 /nfs/dbraw/zinc/30/10/49/412301049.db2.gz HCMNLAKCRRFPEU-CMPLNLGQSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)CCC[NH3+])CCC[NH2+]1 ZINC000662785246 412301337 /nfs/dbraw/zinc/30/13/37/412301337.db2.gz UPEHDEKIHWKNCO-WCQYABFASA-N 2 0 239.363 0.928 20 30 BCEDRP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978872 177331828 /nfs/dbraw/zinc/33/18/28/177331828.db2.gz OGQWYPPVMJVPHE-QWRGUYRKSA-N 2 0 248.334 0.222 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000876710396 590232480 /nfs/dbraw/zinc/23/24/80/590232480.db2.gz JWUBUVXQSAUHOV-VIFPVBQESA-N 2 0 247.770 0.913 20 30 BCEDRP C[N@H+](C[C@@H](O)CNCC1(CC#N)CC1)C1CC1 ZINC000570325145 323056312 /nfs/dbraw/zinc/05/63/12/323056312.db2.gz NBMPUFKOKWVIPT-LBPRGKRZSA-N 2 0 237.347 0.725 20 30 BCEDRP C[NH+](C)C1CCN(CC[NH2+]CCC#N)CC1 ZINC000568384064 326352259 /nfs/dbraw/zinc/35/22/59/326352259.db2.gz VEJMNLPBUPMLNO-UHFFFAOYSA-N 2 0 224.352 0.516 20 30 BCEDRP C=CCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000263176796 534845424 /nfs/dbraw/zinc/84/54/24/534845424.db2.gz UCOXPSLDQZVITH-UHFFFAOYSA-N 2 0 208.309 0.339 20 30 BCEDRP CCNC(NCC1=CC[N@H+](C)CC1)=[NH+]CC ZINC000271846551 535786076 /nfs/dbraw/zinc/78/60/76/535786076.db2.gz VCTOXVDVZUHQDI-UHFFFAOYSA-N 2 0 224.352 0.823 20 30 BCEDRP C[NH+](C)C1(CNC(=[NH2+])NC2CCC2)CCC1 ZINC000263209181 536110804 /nfs/dbraw/zinc/11/08/04/536110804.db2.gz YTYFLKSNOOLYQY-UHFFFAOYSA-N 2 0 224.352 0.928 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NOC1CC[NH+](C)CC1 ZINC000854357700 588784978 /nfs/dbraw/zinc/78/49/78/588784978.db2.gz KPTCOXYHGLUWKY-UHFFFAOYSA-N 2 0 241.335 0.246 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855360037 588829182 /nfs/dbraw/zinc/82/91/82/588829182.db2.gz GRZJFKNMCUOQHT-LBPRGKRZSA-N 2 0 239.363 0.657 20 30 BCEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCOCC1 ZINC000104153374 583110882 /nfs/dbraw/zinc/11/08/82/583110882.db2.gz BWLRQPSOLAPAKA-UHFFFAOYSA-N 2 0 242.367 0.365 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+](C)C ZINC000899920122 584252206 /nfs/dbraw/zinc/25/22/06/584252206.db2.gz JWUHMJOECUOTPA-UHFFFAOYSA-N 2 0 213.325 0.172 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCCC1 ZINC000900011177 584266033 /nfs/dbraw/zinc/26/60/33/584266033.db2.gz MQLWWWJYTUEOAV-UHFFFAOYSA-N 2 0 239.363 0.706 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000900306476 584293385 /nfs/dbraw/zinc/29/33/85/584293385.db2.gz RKKDTAFLHZCGMB-LBPRGKRZSA-N 2 0 239.363 0.562 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000900590855 584329298 /nfs/dbraw/zinc/32/92/98/584329298.db2.gz PPEVDLUXFLNBIM-LBPRGKRZSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C(C)C ZINC000900699827 584342691 /nfs/dbraw/zinc/34/26/91/584342691.db2.gz MRFBDJYYQHWATM-UHFFFAOYSA-N 2 0 241.379 0.951 20 30 BCEDRP C=CCC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493144 584781115 /nfs/dbraw/zinc/78/11/15/584781115.db2.gz VKLNSQNZGMSAME-LOWVWBTDSA-N 2 0 238.331 0.775 20 30 BCEDRP Cn1cncc1C=NNCC[NH+]1CCCCC1 ZINC000755657661 585303464 /nfs/dbraw/zinc/30/34/64/585303464.db2.gz PJYRTRSILVMXHZ-UHFFFAOYSA-N 2 0 235.335 0.830 20 30 BCEDRP C[C@@H]1CNC(NN=C2CCC[C@H]([NH+](C)C)C2)=[NH+]1 ZINC000788438008 585740497 /nfs/dbraw/zinc/74/04/97/585740497.db2.gz FMNGXSNBPVIXGJ-KOLCDFICSA-N 2 0 237.351 0.784 20 30 BCEDRP C[NH+](C)[C@@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000788408608 585922769 /nfs/dbraw/zinc/92/27/69/585922769.db2.gz MRLGXPFPCBCHJP-SNVBAGLBSA-N 2 0 207.281 0.986 20 30 BCEDRP C#CCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781208 586489371 /nfs/dbraw/zinc/48/93/71/586489371.db2.gz AKAGDKAHTCGCPS-UHFFFAOYSA-N 2 0 225.380 0.825 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000818593020 586904076 /nfs/dbraw/zinc/90/40/76/586904076.db2.gz HWAJHRYBYOIDKH-NSHDSACASA-N 2 0 225.336 0.008 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000822461198 587169289 /nfs/dbraw/zinc/16/92/89/587169289.db2.gz SMVJIEOSIAMFNE-SNVBAGLBSA-N 2 0 213.325 0.171 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000823187547 587207474 /nfs/dbraw/zinc/20/74/74/587207474.db2.gz HWAJHRYBYOIDKH-LLVKDONJSA-N 2 0 225.336 0.008 20 30 BCEDRP C#CCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830646870 587562393 /nfs/dbraw/zinc/56/23/93/587562393.db2.gz ANVGPKSIMFOGSJ-UHFFFAOYSA-N 2 0 222.332 0.806 20 30 BCEDRP C#CC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000847012903 588301551 /nfs/dbraw/zinc/30/15/51/588301551.db2.gz SRSNWJMFRNMGLY-CYBMUJFWSA-N 2 0 224.348 0.644 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848992573 588427683 /nfs/dbraw/zinc/42/76/83/588427683.db2.gz JSTIEPLRXONIAV-SNVBAGLBSA-N 2 0 224.352 0.656 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCCNc1cc[nH+]cc1 ZINC000848995387 588428805 /nfs/dbraw/zinc/42/88/05/588428805.db2.gz PXAKXRUPLAJIOT-UHFFFAOYSA-N 2 0 233.319 0.605 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000849005286 588432087 /nfs/dbraw/zinc/43/20/87/588432087.db2.gz KFCRMJLEBIDKFJ-JTQLQIEISA-N 2 0 210.325 0.628 20 30 BCEDRP CNC(NCCC[N@@H+]1CCCO[C@@H](C)C1)=[NH+]C ZINC000849022562 588439470 /nfs/dbraw/zinc/43/94/70/588439470.db2.gz JHLUCHGJRTULSN-NSHDSACASA-N 2 0 242.367 0.282 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCCC[N@H+](C)C2CC2)N1 ZINC000849039722 588447046 /nfs/dbraw/zinc/44/70/46/588447046.db2.gz PBUWLUKUDYWMIX-SNVBAGLBSA-N 2 0 224.352 0.798 20 30 BCEDRP C#CCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852706780 588696917 /nfs/dbraw/zinc/69/69/17/588696917.db2.gz AGBQBYCBQUJEKT-AWEZNQCLSA-N 2 0 236.359 0.931 20 30 BCEDRP C[NH2+]C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852795456 588703448 /nfs/dbraw/zinc/70/34/48/588703448.db2.gz HZOTYYKBAIUMIK-ZDUSSCGKSA-N 2 0 249.358 0.057 20 30 BCEDRP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852799004 588703946 /nfs/dbraw/zinc/70/39/46/588703946.db2.gz PSISFSIECAPLBW-AAEUAGOBSA-N 2 0 249.358 0.185 20 30 BCEDRP [NH3+][C@H]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852878370 588710779 /nfs/dbraw/zinc/71/07/79/588710779.db2.gz JHEWDLANPPUQIX-QWHCGFSZSA-N 2 0 249.358 0.376 20 30 BCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852882285 588711204 /nfs/dbraw/zinc/71/12/04/588711204.db2.gz BTHVKCPJMUYPCK-GFCCVEGCSA-N 2 0 249.358 0.246 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861912832 589183696 /nfs/dbraw/zinc/18/36/96/589183696.db2.gz SJBZLYPMGXXJIE-GDNZZTSVSA-N 2 0 237.347 0.123 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000203020564 589208927 /nfs/dbraw/zinc/20/89/27/589208927.db2.gz KCTYDXBPBBOODC-NSHDSACASA-N 2 0 226.368 0.889 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000120485190 589421535 /nfs/dbraw/zinc/42/15/35/589421535.db2.gz ZNMVZNNWAJVVMX-JTQLQIEISA-N 2 0 212.341 0.783 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508095 590204839 /nfs/dbraw/zinc/20/48/39/590204839.db2.gz IIWCSRALKPQOML-BDAKNGLRSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000876510729 590205409 /nfs/dbraw/zinc/20/54/09/590205409.db2.gz ZBEULKYXFDDNPI-JTQLQIEISA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] ZINC000876519070 590207123 /nfs/dbraw/zinc/20/71/23/590207123.db2.gz RGJUHBGRDWBMSL-JGVFFNPUSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000876521171 590207488 /nfs/dbraw/zinc/20/74/88/590207488.db2.gz IQLFAMVXSWEJJJ-MRVPVSSYSA-N 2 0 219.716 0.182 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000876524398 590208024 /nfs/dbraw/zinc/20/80/24/590208024.db2.gz PJCUKGDNKLSOBC-SSDOTTSWSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000876529415 590209631 /nfs/dbraw/zinc/20/96/31/590209631.db2.gz COGNVHMTLYZJCB-AEJSXWLSSA-N 2 0 245.754 0.665 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000876528922 590209771 /nfs/dbraw/zinc/20/97/71/590209771.db2.gz AXRIQPBUPABQAW-SNVBAGLBSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+](CC)CC ZINC000876706683 590232117 /nfs/dbraw/zinc/23/21/17/590232117.db2.gz BVKHANQJBRNGCR-SNVBAGLBSA-N 2 0 247.770 0.914 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+](C)C ZINC000876726246 590233311 /nfs/dbraw/zinc/23/33/11/590233311.db2.gz XDSMTQFUQBGIFA-JTQLQIEISA-N 2 0 247.770 0.914 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792255 590241922 /nfs/dbraw/zinc/24/19/22/590241922.db2.gz VAHVVYCWPMLJEL-DTWKUNHWSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C)CC[NH2+]CC1 ZINC000876835135 590247815 /nfs/dbraw/zinc/24/78/15/590247815.db2.gz XWFZMHHKWQMEQJ-SECBINFHSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 ZINC000876868006 590251722 /nfs/dbraw/zinc/25/17/22/590251722.db2.gz SROOMNHGKUXCDW-VIFPVBQESA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870986 590251749 /nfs/dbraw/zinc/25/17/49/590251749.db2.gz FRIQMRIZOMEILU-DTWKUNHWSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916681 590256925 /nfs/dbraw/zinc/25/69/25/590256925.db2.gz XXJOUUYVUCMGRX-RKDXNWHRSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH2+]C ZINC000876977698 590263941 /nfs/dbraw/zinc/26/39/41/590263941.db2.gz BEVCYGJDGMJZIX-JGVFFNPUSA-N 2 0 219.716 0.180 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978291 590264002 /nfs/dbraw/zinc/26/40/02/590264002.db2.gz IYNANYOZHKCNOA-HRDYMLBCSA-N 2 0 249.717 0.354 20 30 BCEDRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000877104199 590284102 /nfs/dbraw/zinc/28/41/02/590284102.db2.gz FBFMGBQXXHFVLJ-NXEZZACHSA-N 2 0 226.324 0.203 20 30 BCEDRP COCC#CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880137768 590940769 /nfs/dbraw/zinc/94/07/69/590940769.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 0 222.332 0.805 20 30 BCEDRP CC1(C)[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000884362011 591915319 /nfs/dbraw/zinc/91/53/19/591915319.db2.gz CYFNMNZJUIFKMM-NWDGAFQWSA-N 2 0 249.358 0.231 20 30 BCEDRP C#CC[C@H]1CC[N@@H+](C[C@H](O)CN(C)CC)C1 ZINC000886365673 592219571 /nfs/dbraw/zinc/21/95/71/592219571.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 2 0 224.348 0.644 20 30 BCEDRP C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436109 634450730 /nfs/dbraw/zinc/45/07/30/634450730.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 2 0 237.347 0.799 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022714972 631812200 /nfs/dbraw/zinc/81/22/00/631812200.db2.gz BDUVJMJHQDGDBY-UPJWGTAASA-N 2 0 249.358 0.198 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022714971 631812522 /nfs/dbraw/zinc/81/25/22/631812522.db2.gz BDUVJMJHQDGDBY-RWMBFGLXSA-N 2 0 249.358 0.198 20 30 BCEDRP CCC[NH+]1CCC(CNC(NC)=[NH+]C)CC1 ZINC000161538586 632075649 /nfs/dbraw/zinc/07/56/49/632075649.db2.gz QXQLLHAZBMAYKE-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)C1CC1 ZINC000066245678 632860989 /nfs/dbraw/zinc/86/09/89/632860989.db2.gz ISFKTINAKLIHLJ-SNVBAGLBSA-N 2 0 210.325 0.393 20 30 BCEDRP COCC[N@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000066245516 632861257 /nfs/dbraw/zinc/86/12/57/632861257.db2.gz WGNAWKXHAFFWKF-UHFFFAOYSA-N 2 0 228.340 0.021 20 30 BCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)NC1CC1 ZINC000309482970 633160842 /nfs/dbraw/zinc/16/08/42/633160842.db2.gz FFBKKZWBHIGQBN-UHFFFAOYSA-N 2 0 212.341 0.702 20 30 BCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170907950 633176487 /nfs/dbraw/zinc/17/64/87/633176487.db2.gz PSOXCOBEEUDABS-LLVKDONJSA-N 2 0 242.367 0.220 20 30 BCEDRP [NH2+]=C(NCC[NH+]1CCCC1)N1CCCCC1 ZINC000170907890 633177285 /nfs/dbraw/zinc/17/72/85/633177285.db2.gz JTRAZNJZIFKOPP-UHFFFAOYSA-N 2 0 224.352 0.883 20 30 BCEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000172838632 633232433 /nfs/dbraw/zinc/23/24/33/633232433.db2.gz NZLSCZRYWOXXLX-SNVBAGLBSA-N 2 0 242.367 0.458 20 30 BCEDRP C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179892 636052446 /nfs/dbraw/zinc/05/24/46/636052446.db2.gz HMUICSVMCHRAQM-SNVBAGLBSA-N 2 0 245.754 0.526 20 30 BCEDRP CCNC(NCC[N@H+](C)C(C)C)=[NH+]CC ZINC000066246559 636120232 /nfs/dbraw/zinc/12/02/32/636120232.db2.gz ZVCDOMLOJXXLLM-UHFFFAOYSA-N 2 0 214.357 0.902 20 30 BCEDRP CC(C)[N@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000181474486 633915978 /nfs/dbraw/zinc/91/59/78/633915978.db2.gz FMTXTMCDLRQXQQ-UHFFFAOYSA-N 2 0 212.341 0.736 20 30 BCEDRP CN(C)C(=[NH+]CCC[NH+](C)C)N(C)C ZINC000104152818 634216085 /nfs/dbraw/zinc/21/60/85/634216085.db2.gz XCVUXCZAMABOMB-UHFFFAOYSA-N 2 0 200.330 0.417 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000304038831 636321397 /nfs/dbraw/zinc/32/13/97/636321397.db2.gz IDLDXTZFPXFFJR-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP CN1CC[NH+]=C1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000262668837 636441796 /nfs/dbraw/zinc/44/17/96/636441796.db2.gz PYXHLEJJXSHBNW-LLVKDONJSA-N 2 0 238.379 0.998 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC([NH+](C)C)C1 ZINC000908013681 638549396 /nfs/dbraw/zinc/54/93/96/638549396.db2.gz WVIUULZSADQBML-UHFFFAOYSA-N 2 0 239.363 0.703 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911671099 639696080 /nfs/dbraw/zinc/69/60/80/639696080.db2.gz WKEDXHUYDIZBFH-LBPRGKRZSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000911647183 639702353 /nfs/dbraw/zinc/70/23/53/639702353.db2.gz SVGPOGSERSTFGW-SNVBAGLBSA-N 2 0 211.309 0.102 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911697469 639732641 /nfs/dbraw/zinc/73/26/41/639732641.db2.gz CAFIICCSFYXJEV-NXEZZACHSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713967 639739495 /nfs/dbraw/zinc/73/94/95/639739495.db2.gz NBVCXZXSSLONHK-NEPJUHHUSA-N 2 0 239.363 0.928 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705739 639758670 /nfs/dbraw/zinc/75/86/70/639758670.db2.gz BUWZUJQXLKDASY-VXGBXAGGSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911775325 639794812 /nfs/dbraw/zinc/79/48/12/639794812.db2.gz RHIHWIYQNFIQPW-RYUDHWBXSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911795099 639808551 /nfs/dbraw/zinc/80/85/51/639808551.db2.gz INTJBVIJENKSBK-GRYCIOLGSA-N 2 0 239.363 0.879 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000911795299 639818915 /nfs/dbraw/zinc/81/89/15/639818915.db2.gz INTJBVIJENKSBK-UTUOFQBUSA-N 2 0 239.363 0.879 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834831 639845922 /nfs/dbraw/zinc/84/59/22/639845922.db2.gz RXIQTOKYXUFYIJ-QWRGUYRKSA-N 2 0 225.336 0.524 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869331 639853739 /nfs/dbraw/zinc/85/37/39/639853739.db2.gz UZOAZEJTIZSTHN-RYUDHWBXSA-N 2 0 239.363 0.880 20 30 BCEDRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)C[C@@H]2C1 ZINC000931436595 640200729 /nfs/dbraw/zinc/20/07/29/640200729.db2.gz IXUMQTJWNKTDSK-GRYCIOLGSA-N 2 0 223.320 0.144 20 30 BCEDRP C=C(C)[C@@H](CO)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439813 640206807 /nfs/dbraw/zinc/20/68/07/640206807.db2.gz OLKYEYQWVKFZEF-FRRDWIJNSA-N 2 0 224.348 0.807 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912910913 640237258 /nfs/dbraw/zinc/23/72/58/640237258.db2.gz VJUCFMKFBGWLDX-GFCCVEGCSA-N 2 0 237.347 0.411 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C)C[NH+]1CCCC1 ZINC000170906933 640935834 /nfs/dbraw/zinc/93/58/34/640935834.db2.gz JTVSPNJSQSRUGY-JTQLQIEISA-N 2 0 212.341 0.595 20 30 BCEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC1CC1 ZINC000171411971 640974345 /nfs/dbraw/zinc/97/43/45/640974345.db2.gz NFKABKQGPXZKJF-UHFFFAOYSA-N 2 0 210.325 0.410 20 30 BCEDRP C#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014954111 641212748 /nfs/dbraw/zinc/21/27/48/641212748.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577700 642332851 /nfs/dbraw/zinc/33/28/51/642332851.db2.gz OJFZFUBJRCTVHH-GFCCVEGCSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585152 642338493 /nfs/dbraw/zinc/33/84/93/642338493.db2.gz QSYJASZJXLSVJV-ZDUSSCGKSA-N 2 0 249.358 0.152 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@H+](C)C1CC1 ZINC000305797700 642698224 /nfs/dbraw/zinc/69/82/24/642698224.db2.gz BKEOSBCOVAOKSR-SECBINFHSA-N 2 0 224.352 0.878 20 30 BCEDRP C#CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014491643 642889494 /nfs/dbraw/zinc/88/94/94/642889494.db2.gz JZMTYMMTFSQACJ-JHJVBQTASA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015995435 642943862 /nfs/dbraw/zinc/94/38/62/642943862.db2.gz VBTRMJHBKSOJDE-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866101 643013782 /nfs/dbraw/zinc/01/37/82/643013782.db2.gz SCTHVFUNFQTCPC-FRRDWIJNSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591173 643222056 /nfs/dbraw/zinc/22/20/56/643222056.db2.gz GMSNGWUBBBMTLZ-CYDGBPFRSA-N 2 0 249.358 0.054 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969960735 643255173 /nfs/dbraw/zinc/25/51/73/643255173.db2.gz VLQAHVLQZPJDFY-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998554913 643712791 /nfs/dbraw/zinc/71/27/91/643712791.db2.gz BUGSADGQEZPPDX-WXRRBKDZSA-N 2 0 249.358 0.293 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923332310 644352796 /nfs/dbraw/zinc/35/27/96/644352796.db2.gz KXVDLGHCKBKGAY-RVMXOQNASA-N 2 0 224.348 0.983 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331768 644360875 /nfs/dbraw/zinc/36/08/75/644360875.db2.gz ICOQCNZZCFCRBG-CHWSQXEVSA-N 2 0 224.348 0.999 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923332014 644361055 /nfs/dbraw/zinc/36/10/55/644361055.db2.gz NSOPEIWRLDJERX-WOPDTQHZSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+](C)CCC[NH2+]C ZINC000923377861 644391599 /nfs/dbraw/zinc/39/15/99/644391599.db2.gz QPFPENIOLKSXHN-LLVKDONJSA-N 2 0 200.326 0.855 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378972 644392399 /nfs/dbraw/zinc/39/23/99/644392399.db2.gz MFMHEUQWKKMUJT-NWDGAFQWSA-N 2 0 228.336 0.363 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499126 644472524 /nfs/dbraw/zinc/47/25/24/644472524.db2.gz KCRVIUVPJWKTPH-SDDRHHMPSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504002 644476052 /nfs/dbraw/zinc/47/60/52/644476052.db2.gz NTBAHZDDHCHMQL-MNOVXSKESA-N 2 0 225.336 0.205 20 30 BCEDRP C#C[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000248532989 644685690 /nfs/dbraw/zinc/68/56/90/644685690.db2.gz IDZXVIBLFATDAW-MNOVXSKESA-N 2 0 222.336 0.397 20 30 BCEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCSCC1 ZINC000303769086 644844681 /nfs/dbraw/zinc/84/46/81/644844681.db2.gz ATSZYHKUYLXRBC-UHFFFAOYSA-N 2 0 244.408 0.690 20 30 BCEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCOCC1 ZINC000303789735 644846943 /nfs/dbraw/zinc/84/69/43/644846943.db2.gz VQUHEYUZMTXXBY-UHFFFAOYSA-N 2 0 240.351 0.119 20 30 BCEDRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCOCC1 ZINC000303792424 644847974 /nfs/dbraw/zinc/84/79/74/644847974.db2.gz YNEMDAIKAIPJLV-UHFFFAOYSA-N 2 0 240.351 0.119 20 30 BCEDRP CCCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303871726 644850407 /nfs/dbraw/zinc/85/04/07/644850407.db2.gz GAPHYUBVKTUDHJ-JTQLQIEISA-N 2 0 212.341 0.641 20 30 BCEDRP COCC[N@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000303899264 644855502 /nfs/dbraw/zinc/85/55/02/644855502.db2.gz RMEVRAYPUNAAOV-UHFFFAOYSA-N 2 0 230.356 0.267 20 30 BCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000303977056 644863353 /nfs/dbraw/zinc/86/33/53/644863353.db2.gz KUHKERTXXQPZPP-LLVKDONJSA-N 2 0 242.367 0.410 20 30 BCEDRP CC[NH+]1CCC(CCNC(NC)=[NH+]C)CC1 ZINC000304365648 644899176 /nfs/dbraw/zinc/89/91/76/644899176.db2.gz YTFLHAFEBPQCTP-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304759516 644930770 /nfs/dbraw/zinc/93/07/70/644930770.db2.gz RHGBAUQGMWQZQR-UHFFFAOYSA-N 2 0 212.341 0.855 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304762075 644931047 /nfs/dbraw/zinc/93/10/47/644931047.db2.gz VGVKPAMTKAUHOO-LLVKDONJSA-N 2 0 226.368 0.985 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304762076 644931502 /nfs/dbraw/zinc/93/15/02/644931502.db2.gz VGVKPAMTKAUHOO-NSHDSACASA-N 2 0 226.368 0.985 20 30 BCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC1CC1 ZINC000304824754 644935032 /nfs/dbraw/zinc/93/50/32/644935032.db2.gz FZWZIDNTLADHLA-NSHDSACASA-N 2 0 242.367 0.410 20 30 BCEDRP CNC(NC[C@H]1[N@H+](C)CCCC1(C)C)=[NH+]C ZINC000849023764 645446564 /nfs/dbraw/zinc/44/65/64/645446564.db2.gz DNIKLIRVRIRZFZ-SNVBAGLBSA-N 2 0 226.368 0.902 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928550759 645805402 /nfs/dbraw/zinc/80/54/02/645805402.db2.gz IQROFDSBEJWCQE-NSHDSACASA-N 2 0 225.336 0.315 20 30 BCEDRP N#CCN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607553 646356982 /nfs/dbraw/zinc/35/69/82/646356982.db2.gz CPAJIZHOBDBEJH-CYBMUJFWSA-N 2 0 248.374 0.849 20 30 BCEDRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609055 646358237 /nfs/dbraw/zinc/35/82/37/646358237.db2.gz OAMXPHSHOKNOGO-GFCCVEGCSA-N 2 0 236.363 0.704 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@H](CCC[NH3+])COC ZINC000925771108 646470231 /nfs/dbraw/zinc/47/02/31/646470231.db2.gz MPDJSYONKLKUML-VXGBXAGGSA-N 2 0 230.352 0.657 20 30 BCEDRP C#CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000717841874 712691923 /nfs/dbraw/zinc/69/19/23/712691923.db2.gz XGDWIUYPPZRWIR-ODWCKFRGSA-N 2 0 222.332 0.585 20 30 BCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039026825 710718043 /nfs/dbraw/zinc/71/80/43/710718043.db2.gz IJHYREIYSHCNQL-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP CNC(NC[C@@H](C)[NH+]1CCCCC1)=[NH+]C ZINC000386194287 711025039 /nfs/dbraw/zinc/02/50/39/711025039.db2.gz ZWGXLUOBEFNOPP-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP CNC(NC[C@H](C)[NH+]1CCCCC1)=[NH+]C ZINC000386194285 711025082 /nfs/dbraw/zinc/02/50/82/711025082.db2.gz ZWGXLUOBEFNOPP-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712141 711535976 /nfs/dbraw/zinc/53/59/76/711535976.db2.gz NCIFSAPQVMSETE-MNOVXSKESA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723861806 711539773 /nfs/dbraw/zinc/53/97/73/711539773.db2.gz FIMHDLIRHYVAFS-GMTAPVOTSA-N 2 0 225.336 0.204 20 30 BCEDRP CCNC(NC[C@@H](C)C[NH+](C)C)=[NH+]CC ZINC000395698985 711697043 /nfs/dbraw/zinc/69/70/43/711697043.db2.gz DRBDIOHAOCYRDO-SNVBAGLBSA-N 2 0 214.357 0.759 20 30 BCEDRP CCNC(NCCCC[NH+](C)C)=[NH+]CC ZINC000395708862 711697056 /nfs/dbraw/zinc/69/70/56/711697056.db2.gz IRLQYIHTPVPKEP-UHFFFAOYSA-N 2 0 214.357 0.903 20 30 BCEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170912027 711837917 /nfs/dbraw/zinc/83/79/17/711837917.db2.gz MBOGDJNUCKJKAN-LLVKDONJSA-N 2 0 226.368 0.983 20 30 BCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033457286 711991978 /nfs/dbraw/zinc/99/19/78/711991978.db2.gz HNVMAYGZCJSZRQ-GFCCVEGCSA-N 2 0 246.314 0.118 20 30 BCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033456774 711992503 /nfs/dbraw/zinc/99/25/03/711992503.db2.gz ANRHTMUJGJBYDI-LBPRGKRZSA-N 2 0 248.330 0.671 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000876796313 712629762 /nfs/dbraw/zinc/62/97/62/712629762.db2.gz KFLLCEWLXIHVSO-UTLUCORTSA-N 2 0 245.754 0.665 20 30 BCEDRP C=CCNC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747116 136222453 /nfs/dbraw/zinc/22/24/53/136222453.db2.gz WZUHQDFNMIOFRB-FOSCPWQOSA-N 2 0 237.347 0.503 20 30 BCEDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602595614 349643989 /nfs/dbraw/zinc/64/39/89/349643989.db2.gz IYKNDSHLPIIRKA-GMTAPVOTSA-N 2 0 238.335 0.346 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000264095976 136281365 /nfs/dbraw/zinc/28/13/65/136281365.db2.gz MQHHHMQWDNEVRI-NSHDSACASA-N 2 0 224.352 0.809 20 30 BCEDRP CC[NH+](CC)CCOCCNC1=[NH+]CCN1C ZINC000262670953 136374691 /nfs/dbraw/zinc/37/46/91/136374691.db2.gz QWRQIDMHXSRTNQ-UHFFFAOYSA-N 2 0 242.367 0.236 20 30 BCEDRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000600712530 344361615 /nfs/dbraw/zinc/36/16/15/344361615.db2.gz XYAKUKBMCOANDT-NEPJUHHUSA-N 2 0 225.336 0.894 20 30 BCEDRP CN1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721260 344363062 /nfs/dbraw/zinc/36/30/62/344363062.db2.gz KPKPKZGJUHISJS-NEPJUHHUSA-N 2 0 237.347 0.725 20 30 BCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729271 344363961 /nfs/dbraw/zinc/36/39/61/344363961.db2.gz XDQADCHSBMDWJD-NWDGAFQWSA-N 2 0 239.363 0.971 20 30 BCEDRP C=CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000580327433 347151318 /nfs/dbraw/zinc/15/13/18/347151318.db2.gz LRZFRTBHVTZEGM-TUAOUCFPSA-N 2 0 237.347 0.442 20 30 BCEDRP C[N@H+](C[C@H](O)CN1CCC(C#N)CC1)C1CC1 ZINC000310504335 347290671 /nfs/dbraw/zinc/29/06/71/347290671.db2.gz NNJUGHYFAZYSTC-ZDUSSCGKSA-N 2 0 237.347 0.677 20 30 BCEDRP CC1(C)C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000591677850 347685288 /nfs/dbraw/zinc/68/52/88/347685288.db2.gz HANMJQAUOZRZCW-SNVBAGLBSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677584 347685348 /nfs/dbraw/zinc/68/53/48/347685348.db2.gz NWSDGECRGAEONP-WDEREUQCSA-N 2 0 238.335 0.266 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000594424307 348051447 /nfs/dbraw/zinc/05/14/47/348051447.db2.gz AIPAASLKHGSHGN-MNOVXSKESA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437957 348053769 /nfs/dbraw/zinc/05/37/69/348053769.db2.gz GCMYDHQXDYABDQ-NXEZZACHSA-N 2 0 226.324 0.251 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000594438816 348054288 /nfs/dbraw/zinc/05/42/88/348054288.db2.gz LZOYWWCIIKVZBJ-WDEREUQCSA-N 2 0 238.335 0.251 20 30 BCEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)[NH3+] ZINC000594444283 348055512 /nfs/dbraw/zinc/05/55/12/348055512.db2.gz NVFKRFIMUDRRLQ-AEJSXWLSSA-N 2 0 226.324 0.250 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000082475001 166364990 /nfs/dbraw/zinc/36/49/90/166364990.db2.gz SNJQTWFJCVLIPU-SNVBAGLBSA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000251321847 353283229 /nfs/dbraw/zinc/28/32/29/353283229.db2.gz MIVGDSLTJXYQQU-NEPJUHHUSA-N 2 0 241.379 0.982 20 30 BCEDRP C=CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000420309405 192211679 /nfs/dbraw/zinc/21/16/79/192211679.db2.gz TVIAQFMXPVAMAH-UHFFFAOYSA-N 2 0 223.364 0.790 20 30 BCEDRP [NH2+]=C(NCC[NH+]1CCCC1)N1CCSCC1 ZINC000170907867 134254989 /nfs/dbraw/zinc/25/49/89/134254989.db2.gz HRSCNTACEGKCFC-UHFFFAOYSA-N 2 0 242.392 0.446 20 30 BCEDRP C=CCCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000071276176 359075578 /nfs/dbraw/zinc/07/55/78/359075578.db2.gz PLYXKPRCNMHBMF-GFCCVEGCSA-N 2 0 239.363 0.740 20 30 BCEDRP C[NH+](C)CCN1CCC([NH2+]CCC#N)CC1 ZINC000578436295 366566488 /nfs/dbraw/zinc/56/64/88/366566488.db2.gz KTAQJSDVQOHVTM-UHFFFAOYSA-N 2 0 224.352 0.516 20 30 BCEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436057113 201308703 /nfs/dbraw/zinc/30/87/03/201308703.db2.gz UVVZPNAODJKVNM-LLVKDONJSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436057114 201309494 /nfs/dbraw/zinc/30/94/94/201309494.db2.gz UVVZPNAODJKVNM-NSHDSACASA-N 2 0 225.336 0.492 20 30 BCEDRP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000382047706 367482155 /nfs/dbraw/zinc/48/21/55/367482155.db2.gz CKEBEVRSELNVCA-QWHCGFSZSA-N 2 0 223.364 0.481 20 30 BCEDRP C[NH+](C)Cc1ccc(CNC(N)=[NH2+])cc1 ZINC000073756962 368814437 /nfs/dbraw/zinc/81/44/37/368814437.db2.gz CGYSLGDOHOUIFN-UHFFFAOYSA-N 2 0 206.293 0.522 20 30 BCEDRP CCO[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H]1C[NH3+] ZINC000600769232 369562527 /nfs/dbraw/zinc/56/25/27/369562527.db2.gz KDQAUBMHCZASGU-ZWNOBZJWSA-N 2 0 249.314 0.947 20 30 BCEDRP N#Cc1ccc(CN2CC[C@@H](C[NH3+])C2)o1 ZINC000600768333 369563790 /nfs/dbraw/zinc/56/37/90/369563790.db2.gz HXSAENAHTFVEPA-VIFPVBQESA-N 2 0 205.261 0.932 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000424131803 206032504 /nfs/dbraw/zinc/03/25/04/206032504.db2.gz GUPUPRBBRZQBOE-NSHDSACASA-N 2 0 238.335 0.220 20 30 BCEDRP C#CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262270314 532988477 /nfs/dbraw/zinc/98/84/77/532988477.db2.gz KIVFNYWAOJMASK-SNVBAGLBSA-N 2 0 208.309 0.008 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000178768981 384522597 /nfs/dbraw/zinc/52/25/97/384522597.db2.gz HRCLJGWUDXUMCZ-UHFFFAOYSA-N 2 0 239.363 0.880 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[N@@H+](CC)C1CC1 ZINC000104191646 384811649 /nfs/dbraw/zinc/81/16/49/384811649.db2.gz XPKXIKWDFYWSCY-UHFFFAOYSA-N 2 0 224.352 0.951 20 30 BCEDRP CC[C@H](CC#N)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000564465334 384870878 /nfs/dbraw/zinc/87/08/78/384870878.db2.gz LDNUUHTZBGSLTM-ZYHUDNBSSA-N 2 0 225.336 0.723 20 30 BCEDRP C#CCNC(NC[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262643951 533142892 /nfs/dbraw/zinc/14/28/92/533142892.db2.gz QMRWJJPGAVRDAQ-LBPRGKRZSA-N 2 0 248.374 0.659 20 30 BCEDRP C#CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261743742 533143135 /nfs/dbraw/zinc/14/31/35/533143135.db2.gz KXHKSVIPVPABDE-DGCLKSJQSA-N 2 0 248.374 0.657 20 30 BCEDRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424078832 387481018 /nfs/dbraw/zinc/48/10/18/387481018.db2.gz QICJNZQPRORYPO-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138202 387671585 /nfs/dbraw/zinc/67/15/85/387671585.db2.gz PUSSITSDRMZQHZ-SNVBAGLBSA-N 2 0 226.324 0.075 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000171565889 387828941 /nfs/dbraw/zinc/82/89/41/387828941.db2.gz AXNAVXPAVBSLEW-UHFFFAOYSA-N 2 0 225.336 0.315 20 30 BCEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000442763618 387835437 /nfs/dbraw/zinc/83/54/37/387835437.db2.gz BCMAPVSPUMNYHB-AGIUHOORSA-N 2 0 237.347 0.725 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423014360 387836715 /nfs/dbraw/zinc/83/67/15/387836715.db2.gz ICYYMQSFTJOKMV-QJPTWQEYSA-N 2 0 212.337 0.901 20 30 BCEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442798651 387844320 /nfs/dbraw/zinc/84/43/20/387844320.db2.gz YPWUSWYECVBXJL-RYUDHWBXSA-N 2 0 237.347 0.725 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)/C=C\C[NH+](C)C ZINC000491349513 388287369 /nfs/dbraw/zinc/28/73/69/388287369.db2.gz ISBFORFLVUKKLJ-VURMDHGXSA-N 2 0 237.347 0.176 20 30 BCEDRP C#CCN(C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000491385916 388290902 /nfs/dbraw/zinc/29/09/02/388290902.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 0 240.347 0.023 20 30 BCEDRP CC(C)[C@@H](C[NH2+]CCC#N)N1CC[NH+](C)CC1 ZINC000515055630 256730585 /nfs/dbraw/zinc/73/05/85/256730585.db2.gz ZKIZXWJHJHKMKH-CYBMUJFWSA-N 2 0 238.379 0.762 20 30 BCEDRP C=CC1CC[NH+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000573258020 388436212 /nfs/dbraw/zinc/43/62/12/388436212.db2.gz QBEQGCYUEVVQAM-LBPRGKRZSA-N 2 0 212.337 0.855 20 30 BCEDRP C#CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129813051 388871995 /nfs/dbraw/zinc/87/19/95/388871995.db2.gz DEMGACRYFKBCEI-UHFFFAOYSA-N 2 0 209.337 0.189 20 30 BCEDRP C#C[C@H](CC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262546618 533299365 /nfs/dbraw/zinc/29/93/65/533299365.db2.gz STOTUXZIRRWNMM-VXGBXAGGSA-N 2 0 236.363 0.787 20 30 BCEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C)C1)N(C)C ZINC000104172208 134159399 /nfs/dbraw/zinc/15/93/99/134159399.db2.gz QEEISLAIWXTDDW-SNVBAGLBSA-N 2 0 212.341 0.417 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000262001048 135114846 /nfs/dbraw/zinc/11/48/46/135114846.db2.gz PSQJOMLJLQLMJA-LLVKDONJSA-N 2 0 224.352 0.809 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+](C)C ZINC000264077198 135131722 /nfs/dbraw/zinc/13/17/22/135131722.db2.gz GDRCUPDZMJMMBO-UHFFFAOYSA-N 2 0 212.341 0.809 20 30 BCEDRP CCNC(=[NH2+])NCCCNc1ccccn1 ZINC000264082397 135131774 /nfs/dbraw/zinc/13/17/74/135131774.db2.gz HXMPHFSASGNWHW-UHFFFAOYSA-N 2 0 221.308 0.808 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC[NH+](CC)CC ZINC000264142119 135135195 /nfs/dbraw/zinc/13/51/95/135135195.db2.gz WTUSDTFBPXRDRA-UHFFFAOYSA-N 2 0 212.341 0.809 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261723776 135248352 /nfs/dbraw/zinc/24/83/52/135248352.db2.gz GFGWYWFSBPROCX-QWRGUYRKSA-N 2 0 240.351 0.021 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261723767 135248496 /nfs/dbraw/zinc/24/84/96/135248496.db2.gz GFGWYWFSBPROCX-GHMZBOCLSA-N 2 0 240.351 0.021 20 30 BCEDRP [NH2+]=C(NCCNc1cc[nH+]cc1)NC1CC1 ZINC000261903916 135261874 /nfs/dbraw/zinc/26/18/74/135261874.db2.gz WOBLPXHCGIMEMS-UHFFFAOYSA-N 2 0 219.292 0.560 20 30 BCEDRP CN(CCNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000262015952 135272882 /nfs/dbraw/zinc/27/28/82/135272882.db2.gz WCXIWHRULDOVBN-UHFFFAOYSA-N 2 0 242.392 0.444 20 30 BCEDRP C=CCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000262019972 135272887 /nfs/dbraw/zinc/27/28/87/135272887.db2.gz YOGSJQFSMRNPGG-CMPLNLGQSA-N 2 0 236.363 0.820 20 30 BCEDRP C[C@H]1C[NH+]=C(NC[C@@H](C2CC2)[NH+](C)C)N1 ZINC000262640437 135310396 /nfs/dbraw/zinc/31/03/96/135310396.db2.gz HPAMUWPXJUEFOC-WPRPVWTQSA-N 2 0 210.325 0.264 20 30 BCEDRP C[C@@H]1C[NH+]=C(NC2CC([NH+]3CCCCC3)C2)N1 ZINC000262654340 135311188 /nfs/dbraw/zinc/31/11/88/135311188.db2.gz LFTRNTWULIESSO-VOMCLLRMSA-N 2 0 236.363 0.941 20 30 BCEDRP COCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262681247 135313268 /nfs/dbraw/zinc/31/32/68/135313268.db2.gz WFGYJLFMAUIDOG-MNOVXSKESA-N 2 0 240.351 0.035 20 30 BCEDRP CC(C)[N@@H+]1CCC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262687688 135313880 /nfs/dbraw/zinc/31/38/80/135313880.db2.gz YYEQABWYVRYOEI-LBPRGKRZSA-N 2 0 238.379 0.998 20 30 BCEDRP CN1CC[NH+]=C1NCc1ccc2c[nH+]cn2c1 ZINC000263166199 135336643 /nfs/dbraw/zinc/33/66/43/135336643.db2.gz RFFGLSKPWYEQOF-UHFFFAOYSA-N 2 0 229.287 0.725 20 30 BCEDRP C=CCNC(NC[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000263249446 135342532 /nfs/dbraw/zinc/34/25/32/135342532.db2.gz ODYPMZLGSNWMHO-LLVKDONJSA-N 2 0 236.363 0.822 20 30 BCEDRP C=CC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653089726 409623137 /nfs/dbraw/zinc/62/31/37/409623137.db2.gz RWWSDBGKPOJVDJ-LBPRGKRZSA-N 2 0 239.363 0.690 20 30 BCEDRP C=CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082653972 166355735 /nfs/dbraw/zinc/35/57/35/166355735.db2.gz WMBQEAIRLRBOOO-LBPRGKRZSA-N 2 0 237.347 0.316 20 30 BCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104140793 166387304 /nfs/dbraw/zinc/38/73/04/166387304.db2.gz MHAXIDACOYIMPB-MNOVXSKESA-N 2 0 239.363 0.736 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400940768 411165549 /nfs/dbraw/zinc/16/55/49/411165549.db2.gz SLHRRPBFKPKABS-FDYHWXHSSA-N 2 0 224.348 0.901 20 30 BCEDRP C=CC[N@@H+](CCOCC[NH3+])[C@@H](C)COC ZINC000662299824 412086893 /nfs/dbraw/zinc/08/68/93/412086893.db2.gz XTEJTFCVADRTGQ-NSHDSACASA-N 2 0 216.325 0.485 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662394933 412144525 /nfs/dbraw/zinc/14/45/25/412144525.db2.gz GQWSFQRRMVIXCV-AAEUAGOBSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662406710 412152071 /nfs/dbraw/zinc/15/20/71/412152071.db2.gz IVGCPKHCVRBRFX-YPMHNXCESA-N 2 0 237.347 0.492 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662422958 412162639 /nfs/dbraw/zinc/16/26/39/412162639.db2.gz BYGOKSFWBPQMAR-LBPRGKRZSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665275010 412218676 /nfs/dbraw/zinc/21/86/76/412218676.db2.gz ARXMVILDOLOWNM-GRYCIOLGSA-N 2 0 228.336 0.531 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662969569 412359411 /nfs/dbraw/zinc/35/94/11/412359411.db2.gz SVWOICGDBXVQJA-JQWIXIFHSA-N 2 0 225.336 0.409 20 30 BCEDRP C=CC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[NH2+]1 ZINC000662774479 412298039 /nfs/dbraw/zinc/29/80/39/412298039.db2.gz PPVOTERVVBSHLS-MBNYWOFBSA-N 2 0 249.358 0.363 20 30 BCEDRP NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272662974 487647234 /nfs/dbraw/zinc/64/72/34/487647234.db2.gz ABVGACXUJOSHHG-GFCCVEGCSA-N 2 0 248.330 0.027 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674288065 487548395 /nfs/dbraw/zinc/54/83/95/487548395.db2.gz UZTQDHKNJFRRHR-NSHDSACASA-N 2 0 239.363 0.703 20 30 BCEDRP C=CCNC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000262827578 534844374 /nfs/dbraw/zinc/84/43/74/534844374.db2.gz YTYWQMIJANAXMO-UHFFFAOYSA-N 2 0 210.325 0.561 20 30 BCEDRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676430 534950711 /nfs/dbraw/zinc/95/07/11/534950711.db2.gz UBIDUZKDUJTUPI-GHMZBOCLSA-N 2 0 224.352 0.656 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262679383 535127973 /nfs/dbraw/zinc/12/79/73/535127973.db2.gz VLFMTWFCIQXAJU-RYUDHWBXSA-N 2 0 238.379 0.902 20 30 BCEDRP CC(C)[N@@H+]1CCC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262687414 535168406 /nfs/dbraw/zinc/16/84/06/535168406.db2.gz YYEQABWYVRYOEI-GFCCVEGCSA-N 2 0 238.379 0.998 20 30 BCEDRP CC[NH+]=C(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N(C)C ZINC000261958607 535265751 /nfs/dbraw/zinc/26/57/51/535265751.db2.gz JNGOAQBPUWECGC-ZYHUDNBSSA-N 2 0 238.379 0.996 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000262666614 535501632 /nfs/dbraw/zinc/50/16/32/535501632.db2.gz PAWWDHAYRYBBGQ-NSHDSACASA-N 2 0 224.352 0.752 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCC1 ZINC000263021899 535666881 /nfs/dbraw/zinc/66/68/81/535666881.db2.gz ACAVCJGMFXCUTF-SNVBAGLBSA-N 2 0 212.341 0.737 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854655206 588799501 /nfs/dbraw/zinc/79/95/01/588799501.db2.gz OTRMZXPAGNKKCV-RYUDHWBXSA-N 2 0 239.363 0.655 20 30 BCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000852883537 583021645 /nfs/dbraw/zinc/02/16/45/583021645.db2.gz YHFRZBBSKZVFNQ-UHFFFAOYSA-N 2 0 249.358 0.329 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153683 583112390 /nfs/dbraw/zinc/11/23/90/583112390.db2.gz SDAQARQHYWFNSV-JTQLQIEISA-N 2 0 244.383 0.513 20 30 BCEDRP C#CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880140900 583472761 /nfs/dbraw/zinc/47/27/61/583472761.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 0 222.332 0.805 20 30 BCEDRP C#CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880140896 583472983 /nfs/dbraw/zinc/47/29/83/583472983.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 0 222.332 0.805 20 30 BCEDRP C#CC[NH+]1CCC(Nc2nc(N)cc(C)[nH+]2)CC1 ZINC000895810576 583730082 /nfs/dbraw/zinc/73/00/82/583730082.db2.gz GAIYBGXKJBQPPL-UHFFFAOYSA-N 2 0 245.330 0.877 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000900001306 584263845 /nfs/dbraw/zinc/26/38/45/584263845.db2.gz CPZPBUGMLQJGKV-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000900590854 584329615 /nfs/dbraw/zinc/32/96/15/584329615.db2.gz PPEVDLUXFLNBIM-GFCCVEGCSA-N 2 0 239.363 0.705 20 30 BCEDRP C[NH+](C)C[C@@](C)(CN=NC(N)=[NH2+])c1ccccc1 ZINC000834938570 584915580 /nfs/dbraw/zinc/91/55/80/584915580.db2.gz ISCOUWWLUIPKCH-CYBMUJFWSA-N 2 0 247.346 0.975 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816950402 584982268 /nfs/dbraw/zinc/98/22/68/584982268.db2.gz RHGICVHKELZZJK-VXGBXAGGSA-N 2 0 237.347 0.267 20 30 BCEDRP C#CC[NH+](CC#C)CC1CC[NH+](C)CC1 ZINC000788481279 585925321 /nfs/dbraw/zinc/92/53/21/585925321.db2.gz HHJARWCIVZETCE-UHFFFAOYSA-N 2 0 204.317 0.897 20 30 BCEDRP CC(=NNC(N)=[NH2+])c1cccc(C[NH+](C)C)c1 ZINC000814796709 586634573 /nfs/dbraw/zinc/63/45/73/586634573.db2.gz MKONDPZHHUAALI-UHFFFAOYSA-N 2 0 233.319 0.955 20 30 BCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000834484877 587756651 /nfs/dbraw/zinc/75/66/51/587756651.db2.gz OOCKCWZGAJURRK-GHMZBOCLSA-N 2 0 238.335 0.123 20 30 BCEDRP C[C@H]1C[N@@H+](C2CC2)CC1N=NC1=NCCN1 ZINC000841661511 587969980 /nfs/dbraw/zinc/96/99/80/587969980.db2.gz PWFAUKFPCWLHEG-QMMMGPOBSA-N 2 0 221.308 0.005 20 30 BCEDRP CC1CC[NH+](CCCNC2=[NH+]CCN2C)CC1 ZINC000848982582 588424514 /nfs/dbraw/zinc/42/45/14/588424514.db2.gz DNPFXOYBJWLRMN-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCOCC2)N1 ZINC000848989144 588426772 /nfs/dbraw/zinc/42/67/72/588426772.db2.gz AURNNTGIYUZFOL-LLVKDONJSA-N 2 0 240.351 0.036 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000849005287 588432146 /nfs/dbraw/zinc/43/21/46/588432146.db2.gz KFCRMJLEBIDKFJ-SNVBAGLBSA-N 2 0 210.325 0.628 20 30 BCEDRP C[NH+]=C(NC[C@H](C)C[NH+](C)C)NC1CC1 ZINC000849030282 588442251 /nfs/dbraw/zinc/44/22/51/588442251.db2.gz IEQLWGCDKLALBA-VIFPVBQESA-N 2 0 212.341 0.512 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[N@@H+]2CCCC2(C)C)N1 ZINC000849039056 588446880 /nfs/dbraw/zinc/44/68/80/588446880.db2.gz GHNVEQQGVUPYPC-JTQLQIEISA-N 2 0 224.352 0.798 20 30 BCEDRP C#CCOCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000851729123 588618875 /nfs/dbraw/zinc/61/88/75/588618875.db2.gz ZFYSLCQPFJMYSA-UHFFFAOYSA-N 2 0 224.348 0.910 20 30 BCEDRP C#CCOCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000851771855 588626144 /nfs/dbraw/zinc/62/61/44/588626144.db2.gz QICNPYIVOHMVMC-GFCCVEGCSA-N 2 0 210.321 0.520 20 30 BCEDRP C#CCOCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000851781872 588627728 /nfs/dbraw/zinc/62/77/28/588627728.db2.gz HIEZDZWGOZJXHA-CYBMUJFWSA-N 2 0 224.348 0.910 20 30 BCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000852793247 588703030 /nfs/dbraw/zinc/70/30/30/588703030.db2.gz VQGVOJDXMDAFQH-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP [NH3+]C[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852795062 588703216 /nfs/dbraw/zinc/70/32/16/588703216.db2.gz VGQVJXNFXFHIBM-CYBMUJFWSA-N 2 0 249.358 0.329 20 30 BCEDRP C[NH2+]C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852795454 588703563 /nfs/dbraw/zinc/70/35/63/588703563.db2.gz HZOTYYKBAIUMIK-CYBMUJFWSA-N 2 0 249.358 0.057 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858585 588708977 /nfs/dbraw/zinc/70/89/77/588708977.db2.gz FBTFNJOWEGAMKC-CYBMUJFWSA-N 2 0 249.358 0.057 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)CC[NH2+]C)CCC[NH2+]1 ZINC000852874629 588709255 /nfs/dbraw/zinc/70/92/55/588709255.db2.gz SMNMNGHCLQJMJB-LBPRGKRZSA-N 2 0 225.336 0.363 20 30 BCEDRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874033 588709960 /nfs/dbraw/zinc/70/99/60/588709960.db2.gz JKFFGKMFPQZIAG-YPMHNXCESA-N 2 0 249.358 0.185 20 30 BCEDRP CCC[NH2+]CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852874399 588709980 /nfs/dbraw/zinc/70/99/80/588709980.db2.gz OXLZVYZPBIEJLV-UHFFFAOYSA-N 2 0 237.347 0.105 20 30 BCEDRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852875215 588710102 /nfs/dbraw/zinc/71/01/02/588710102.db2.gz SYPWVODDUXXURW-YPMHNXCESA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878109 588710321 /nfs/dbraw/zinc/71/03/21/588710321.db2.gz IASQJYBNGYWRLM-YPMHNXCESA-N 2 0 249.358 0.246 20 30 BCEDRP [NH3+][C@@H]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852878369 588710773 /nfs/dbraw/zinc/71/07/73/588710773.db2.gz JHEWDLANPPUQIX-OLZOCXBDSA-N 2 0 249.358 0.376 20 30 BCEDRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852882939 588711191 /nfs/dbraw/zinc/71/11/91/588711191.db2.gz SXYVUYIYPJCIPL-OLZOCXBDSA-N 2 0 249.358 0.233 20 30 BCEDRP CN(CC(C)(C)[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000852898615 588712362 /nfs/dbraw/zinc/71/23/62/588712362.db2.gz MOPVPXPUWKQUGI-UHFFFAOYSA-N 2 0 237.347 0.185 20 30 BCEDRP Cc1cnccc1NNC1=CC(=O)N2CCC[C@@H]12 ZINC000863158222 589263842 /nfs/dbraw/zinc/26/38/42/589263842.db2.gz RMYXSDCRSTYDFB-LBPRGKRZSA-N 2 0 244.298 0.975 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000863503305 589294502 /nfs/dbraw/zinc/29/45/02/589294502.db2.gz CNRZWLKUMADOOK-NSHDSACASA-N 2 0 225.336 0.315 20 30 BCEDRP C=CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709519 589514657 /nfs/dbraw/zinc/51/46/57/589514657.db2.gz RSPPLXRSRYAODU-AXFHLTTASA-N 2 0 237.303 0.039 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000876522001 590207275 /nfs/dbraw/zinc/20/72/75/590207275.db2.gz DMINWLAUHCOBTF-VIFPVBQESA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000876526650 590208325 /nfs/dbraw/zinc/20/83/25/590208325.db2.gz ZKNQYAAKJQQFIV-VHSXEESVSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528060 590209359 /nfs/dbraw/zinc/20/93/59/590209359.db2.gz JTXJFHIJEAPARH-DTWKUNHWSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000876535899 590211364 /nfs/dbraw/zinc/21/13/64/590211364.db2.gz SMEYTVVDBWCMLP-QMMMGPOBSA-N 2 0 219.716 0.264 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000876537861 590211567 /nfs/dbraw/zinc/21/15/67/590211567.db2.gz GAUGEBVNFKVOHX-SECBINFHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1(C)C ZINC000876537862 590211836 /nfs/dbraw/zinc/21/18/36/590211836.db2.gz GAUGEBVNFKVOHX-VIFPVBQESA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+](C)C ZINC000876710395 590232771 /nfs/dbraw/zinc/23/27/71/590232771.db2.gz JWUBUVXQSAUHOV-SECBINFHSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+](C)C ZINC000876707633 590232924 /nfs/dbraw/zinc/23/29/24/590232924.db2.gz MECSRNFLFOJQQA-SECBINFHSA-N 2 0 233.743 0.524 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1nccn1C ZINC000876753751 590238348 /nfs/dbraw/zinc/23/83/48/590238348.db2.gz NUIKFJODNNTNHU-MRVPVSSYSA-N 2 0 242.710 0.506 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000876831400 590247542 /nfs/dbraw/zinc/24/75/42/590247542.db2.gz ZJDKKUZQYJQXKL-FKTZTGRPSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])CC ZINC000876863555 590251003 /nfs/dbraw/zinc/25/10/03/590251003.db2.gz GRNRALZQSVQBIA-YUMQZZPRSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876916617 590256705 /nfs/dbraw/zinc/25/67/05/590256705.db2.gz WMLAJGROXOWNQB-XHNCKOQMSA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916679 590257101 /nfs/dbraw/zinc/25/71/01/590257101.db2.gz XXJOUUYVUCMGRX-IUCAKERBSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000876927141 590257403 /nfs/dbraw/zinc/25/74/03/590257403.db2.gz SEVUPNYNOPQOOO-MRVPVSSYSA-N 2 0 233.743 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000876953120 590260781 /nfs/dbraw/zinc/26/07/81/590260781.db2.gz YQSIRJQGJCERED-AEJSXWLSSA-N 2 0 245.754 0.795 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978292 590263826 /nfs/dbraw/zinc/26/38/26/590263826.db2.gz IYNANYOZHKCNOA-IWSPIJDZSA-N 2 0 249.717 0.354 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000877023166 590270454 /nfs/dbraw/zinc/27/04/54/590270454.db2.gz GSCKVELUDXKLKU-LPEHRKFASA-N 2 0 245.754 0.713 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000877244176 590302986 /nfs/dbraw/zinc/30/29/86/590302986.db2.gz VWCGLDXCJCKTEO-NQBHXWOUSA-N 2 0 237.347 0.538 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293346 590307645 /nfs/dbraw/zinc/30/76/45/590307645.db2.gz MIKPKFCZNOHYTP-GUBZILKMSA-N 2 0 245.754 0.842 20 30 BCEDRP C=CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925702726 634377701 /nfs/dbraw/zinc/37/77/01/634377701.db2.gz AZJWBBHDNHALME-BKUVIOGVSA-N 2 0 210.321 0.904 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C ZINC000178566713 635511440 /nfs/dbraw/zinc/51/14/40/635511440.db2.gz GMTPAELBLGGQHF-JTQLQIEISA-N 2 0 212.341 0.737 20 30 BCEDRP C#CC[N@H+](C)CCCNc1nc(C)nc(N)n1 ZINC000327981063 633200015 /nfs/dbraw/zinc/20/00/15/633200015.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 0 234.307 0.129 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928445084 635949574 /nfs/dbraw/zinc/94/95/74/635949574.db2.gz WQCUSOCQQMNZBH-WDEREUQCSA-N 2 0 225.336 0.313 20 30 BCEDRP C[NH+](C)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195522152 634364999 /nfs/dbraw/zinc/36/49/99/634364999.db2.gz WLXWJKLKSDUHRN-JTQLQIEISA-N 2 0 228.340 0.021 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397271 635220540 /nfs/dbraw/zinc/22/05/40/635220540.db2.gz ONRANPUICFKAAN-STQMWFEESA-N 2 0 249.358 0.104 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(NC)=[NH+]C ZINC000303254261 636304530 /nfs/dbraw/zinc/30/45/30/636304530.db2.gz DOKYXDUSWNCHPJ-SECBINFHSA-N 2 0 200.330 0.512 20 30 BCEDRP CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303266382 636305450 /nfs/dbraw/zinc/30/54/50/636305450.db2.gz VZXCTDUBOKAKCH-UHFFFAOYSA-N 2 0 212.341 0.785 20 30 BCEDRP C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905453037 637811347 /nfs/dbraw/zinc/81/13/47/637811347.db2.gz QEDDRIMSUFYITG-QWHCGFSZSA-N 2 0 242.363 0.360 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000908196139 638600602 /nfs/dbraw/zinc/60/06/02/638600602.db2.gz VAKPVGAMQPADET-NSHDSACASA-N 2 0 227.352 0.561 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624267 639685312 /nfs/dbraw/zinc/68/53/12/639685312.db2.gz QTCQALHFONCUNK-WDEREUQCSA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651899 639707251 /nfs/dbraw/zinc/70/72/51/639707251.db2.gz GVYFGTUFURIYRI-ZJUUUORDSA-N 2 0 211.309 0.230 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911723503 639749947 /nfs/dbraw/zinc/74/99/47/639749947.db2.gz FAKGXDZTUHIEBJ-MNOVXSKESA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739134 639764864 /nfs/dbraw/zinc/76/48/64/639764864.db2.gz QNPWRUQBSPHXFJ-GHMZBOCLSA-N 2 0 225.336 0.477 20 30 BCEDRP C#CC[NH2+]CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911733899 639789824 /nfs/dbraw/zinc/78/98/24/639789824.db2.gz FFBSCGBPFCZWAG-UHFFFAOYSA-N 2 0 245.326 0.027 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH2+]C)CC1 ZINC000911787834 639805735 /nfs/dbraw/zinc/80/57/35/639805735.db2.gz WIXXKAHOYBIOLP-LBPRGKRZSA-N 2 0 239.363 0.880 20 30 BCEDRP C[N@@H+]1CC[C@@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930557633 639811034 /nfs/dbraw/zinc/81/10/34/639811034.db2.gz HNEXCXHGBCVXTH-VXGBXAGGSA-N 2 0 223.320 0.289 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827135 639839333 /nfs/dbraw/zinc/83/93/33/639839333.db2.gz SQTVIMSSSDVVBE-QWRGUYRKSA-N 2 0 227.352 0.770 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911817666 639850151 /nfs/dbraw/zinc/85/01/51/639850151.db2.gz IWTVMWWIJKWXOH-TUAOUCFPSA-N 2 0 239.363 0.866 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846280 639856607 /nfs/dbraw/zinc/85/66/07/639856607.db2.gz OXRVMJZFBCNSFN-SECBINFHSA-N 2 0 213.325 0.524 20 30 BCEDRP C#CC[NH2+]CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911855383 639860529 /nfs/dbraw/zinc/86/05/29/639860529.db2.gz JKHGUMYIYHEVPI-LLVKDONJSA-N 2 0 245.326 0.545 20 30 BCEDRP C=CCNC(=O)CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931432681 640199858 /nfs/dbraw/zinc/19/98/58/640199858.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 0 237.347 0.172 20 30 BCEDRP CCN(CC)C(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907763 640935214 /nfs/dbraw/zinc/93/52/14/640935214.db2.gz YOVFSVGMVOZVQD-UHFFFAOYSA-N 2 0 212.341 0.739 20 30 BCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170907954 640935576 /nfs/dbraw/zinc/93/55/76/640935576.db2.gz PSOXCOBEEUDABS-NSHDSACASA-N 2 0 242.367 0.220 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C)C[NH+]1CCCCC1 ZINC000170908877 640937130 /nfs/dbraw/zinc/93/71/30/640937130.db2.gz IHPYVTYALAQPMA-LLVKDONJSA-N 2 0 226.368 0.985 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908628 640937354 /nfs/dbraw/zinc/93/73/54/640937354.db2.gz IKMJMTMNOKTGTA-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N(C)C ZINC000170912909 640937780 /nfs/dbraw/zinc/93/77/80/640937780.db2.gz YHCNQFLYUVTGBX-SECBINFHSA-N 2 0 200.330 0.593 20 30 BCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N(C)C)C1 ZINC000170913348 640938085 /nfs/dbraw/zinc/93/80/85/640938085.db2.gz PGGQFRUUUDSFAA-SNVBAGLBSA-N 2 0 212.341 0.595 20 30 BCEDRP C#CCCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030961204 641527850 /nfs/dbraw/zinc/52/78/50/641527850.db2.gz RUQKZIIDFXJSMV-WCQYABFASA-N 2 0 249.358 0.008 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204810 642327184 /nfs/dbraw/zinc/32/71/84/642327184.db2.gz OYWUHVGNRUNBIK-QWHCGFSZSA-N 2 0 249.358 0.247 20 30 BCEDRP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCC1 ZINC000933296947 642507155 /nfs/dbraw/zinc/50/71/55/642507155.db2.gz SOEGUJPQLLUWEJ-LBPRGKRZSA-N 2 0 224.348 0.835 20 30 BCEDRP CNC(NC[C@@H]1CC[N@H+](CC(C)C)C1)=[NH+]C ZINC000305045910 642634267 /nfs/dbraw/zinc/63/42/67/642634267.db2.gz XXKIQPMHUDBZMH-NSHDSACASA-N 2 0 226.368 0.759 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969099660 642822876 /nfs/dbraw/zinc/82/28/76/642822876.db2.gz QWNBMVMDPZZALP-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000969074556 642823748 /nfs/dbraw/zinc/82/37/48/642823748.db2.gz IULYDHJTUSVZME-VXGBXAGGSA-N 2 0 239.363 0.703 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001019044251 643018601 /nfs/dbraw/zinc/01/86/01/643018601.db2.gz QWNBMVMDPZZALP-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282317 644315963 /nfs/dbraw/zinc/31/59/63/644315963.db2.gz MXPOBVAIJHNAAL-NWDGAFQWSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000923288271 644319505 /nfs/dbraw/zinc/31/95/05/644319505.db2.gz ZCWREQJQFQRIGH-ZDUSSCGKSA-N 2 0 241.379 0.151 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388520 644402794 /nfs/dbraw/zinc/40/27/94/644402794.db2.gz RLLIOSYTIPUVRY-FRRDWIJNSA-N 2 0 242.363 0.609 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+](C)CCOCC[NH3+] ZINC000923403081 644407599 /nfs/dbraw/zinc/40/75/99/644407599.db2.gz NTJHOCRKVZXJEH-LLVKDONJSA-N 2 0 216.325 0.221 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482399 644459559 /nfs/dbraw/zinc/45/95/59/644459559.db2.gz ZKTNZYLYQJPXBF-RYUDHWBXSA-N 2 0 237.347 0.444 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499128 644472533 /nfs/dbraw/zinc/47/25/33/644472533.db2.gz KCRVIUVPJWKTPH-WOPDTQHZSA-N 2 0 239.363 0.594 20 30 BCEDRP C#CCN1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000923552819 644494097 /nfs/dbraw/zinc/49/40/97/644494097.db2.gz ZZYRXHZXPMJFBT-NEPJUHHUSA-N 2 0 237.347 0.150 20 30 BCEDRP CNC(NCC[N@@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303268642 644815760 /nfs/dbraw/zinc/81/57/60/644815760.db2.gz ZBNOLUCXLKRPSA-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP C[NH+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000303715896 644840212 /nfs/dbraw/zinc/84/02/12/644840212.db2.gz SIQYMGLSXUKKTQ-UHFFFAOYSA-N 2 0 212.341 0.739 20 30 BCEDRP CC[NH+](CC)CCCNC(=[NH2+])N[C@H](C)COC ZINC000303723852 644842499 /nfs/dbraw/zinc/84/24/99/644842499.db2.gz ZFOGZXNRDFIAIS-LLVKDONJSA-N 2 0 244.383 0.658 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCOCC1 ZINC000303867732 644850775 /nfs/dbraw/zinc/85/07/75/644850775.db2.gz AENAAZNWEJAMTI-LLVKDONJSA-N 2 0 242.367 0.364 20 30 BCEDRP CCCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303871730 644851498 /nfs/dbraw/zinc/85/14/98/644851498.db2.gz GAPHYUBVKTUDHJ-SNVBAGLBSA-N 2 0 212.341 0.641 20 30 BCEDRP CCCCNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000303908573 644856250 /nfs/dbraw/zinc/85/62/50/644856250.db2.gz XQCRBTKRMSIPKA-UHFFFAOYSA-N 2 0 244.383 0.659 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303968784 644860743 /nfs/dbraw/zinc/86/07/43/644860743.db2.gz AZOUNSNICVNYAI-ZJUUUORDSA-N 2 0 242.367 0.408 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303968777 644860925 /nfs/dbraw/zinc/86/09/25/644860925.db2.gz AZOUNSNICVNYAI-NXEZZACHSA-N 2 0 242.367 0.408 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000303977067 644860959 /nfs/dbraw/zinc/86/09/59/644860959.db2.gz KVFUTAVFRHPZNY-LLVKDONJSA-N 2 0 242.367 0.364 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303969062 644861069 /nfs/dbraw/zinc/86/10/69/644861069.db2.gz BJHRUBWNUBRXFE-QWRGUYRKSA-N 2 0 244.383 0.656 20 30 BCEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303984547 644864065 /nfs/dbraw/zinc/86/40/65/644864065.db2.gz SERFTEXRWCTMII-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCOC ZINC000304064705 644868745 /nfs/dbraw/zinc/86/87/45/644868745.db2.gz SMQGKKVITRSSMU-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304746532 644929508 /nfs/dbraw/zinc/92/95/08/644929508.db2.gz FUMOPGDFNHZPQN-LLVKDONJSA-N 2 0 224.352 0.809 20 30 BCEDRP CC(C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304765734 644931972 /nfs/dbraw/zinc/93/19/72/644931972.db2.gz ZQLRAGUYFJRVJI-UHFFFAOYSA-N 2 0 242.367 0.410 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000877048815 645788602 /nfs/dbraw/zinc/78/86/02/645788602.db2.gz AHUQXFRJGKJDAV-AEJSXWLSSA-N 2 0 245.754 0.713 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)C(=C)C[NH+](C)C)CC1 ZINC000928652961 645852333 /nfs/dbraw/zinc/85/23/33/645852333.db2.gz SLRUUSZOHXCVBA-UHFFFAOYSA-N 2 0 249.358 0.318 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925630536 646376047 /nfs/dbraw/zinc/37/60/47/646376047.db2.gz PPGWCXOWBXMYFX-SNIKSBKOSA-N 2 0 236.359 0.757 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](CCC[NH3+])COC ZINC000925771105 646470444 /nfs/dbraw/zinc/47/04/44/646470444.db2.gz MPDJSYONKLKUML-NWDGAFQWSA-N 2 0 230.352 0.657 20 30 BCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182520 711905462 /nfs/dbraw/zinc/90/54/62/711905462.db2.gz MJVHNYRXNSYTBS-LBPRGKRZSA-N 2 0 237.347 0.172 20 30 BCEDRP C=CC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000715058409 712505392 /nfs/dbraw/zinc/50/53/92/712505392.db2.gz POLDBPVZQPCGDE-GFCCVEGCSA-N 2 0 211.353 0.788 20 30 BCEDRP C#CC[C@H](COC)[NH2+]CC1CC[NH+](C)CC1 ZINC000716936161 712597685 /nfs/dbraw/zinc/59/76/85/712597685.db2.gz RIDWVHIJIFBSQW-CYBMUJFWSA-N 2 0 224.348 0.956 20 30 BCEDRP CC[NH+](CC)CCCNC1=[NH+]C[C@H](C)N1 ZINC000389351214 711077634 /nfs/dbraw/zinc/07/76/34/711077634.db2.gz YDKXBJIQXNMOGL-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP CC(C)[N@H+](C)CCCNC1=[NH+]CCCN1C ZINC000386495773 711031120 /nfs/dbraw/zinc/03/11/20/711031120.db2.gz VBKBPRXWZNIGIA-UHFFFAOYSA-N 2 0 226.368 0.998 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561547 711443472 /nfs/dbraw/zinc/44/34/72/711443472.db2.gz DJIZUAYTSOBQFH-AVGNSLFASA-N 2 0 249.358 0.293 20 30 BCEDRP C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792829 711735583 /nfs/dbraw/zinc/73/55/83/711735583.db2.gz XCDATRGGSRPGBM-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000714994987 712502823 /nfs/dbraw/zinc/50/28/23/712502823.db2.gz DLDQKNKPXJUJFO-RYUDHWBXSA-N 2 0 239.363 0.738 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCCC2)N1 ZINC000379835052 712615402 /nfs/dbraw/zinc/61/54/02/712615402.db2.gz ZQDUHLATAPPMAL-JTQLQIEISA-N 2 0 210.325 0.410 20 30 BCEDRP C[NH+](C)CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000195522153 712730634 /nfs/dbraw/zinc/73/06/34/712730634.db2.gz WLXWJKLKSDUHRN-SNVBAGLBSA-N 2 0 228.340 0.021 20 30 BCEDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602595615 349644062 /nfs/dbraw/zinc/64/40/62/349644062.db2.gz IYKNDSHLPIIRKA-MXWKQRLJSA-N 2 0 238.335 0.346 20 30 BCEDRP CCCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271850382 136374997 /nfs/dbraw/zinc/37/49/97/136374997.db2.gz VZHMVGFFBHQDLJ-UHFFFAOYSA-N 2 0 210.325 0.563 20 30 BCEDRP N#CCCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000601333199 347225221 /nfs/dbraw/zinc/22/52/21/347225221.db2.gz QBYWBGQMOALNLA-ZDUSSCGKSA-N 2 0 236.363 0.517 20 30 BCEDRP C[N@H+](C[C@@H](O)CN1CCC(C#N)CC1)C1CC1 ZINC000310504334 347290568 /nfs/dbraw/zinc/29/05/68/347290568.db2.gz NNJUGHYFAZYSTC-CYBMUJFWSA-N 2 0 237.347 0.677 20 30 BCEDRP C=CCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000195522553 347457268 /nfs/dbraw/zinc/45/72/68/347457268.db2.gz ZRHLARQNXFSMHO-UHFFFAOYSA-N 2 0 210.325 0.563 20 30 BCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426951 348043759 /nfs/dbraw/zinc/04/37/59/348043759.db2.gz RXMZYWYWTAUQNB-WDEREUQCSA-N 2 0 240.351 0.497 20 30 BCEDRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594427962 348044911 /nfs/dbraw/zinc/04/49/11/348044911.db2.gz YPDHJUKVNVFYKZ-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437959 348053921 /nfs/dbraw/zinc/05/39/21/348053921.db2.gz GCMYDHQXDYABDQ-UWVGGRQHSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)[NH3+] ZINC000594444285 348055575 /nfs/dbraw/zinc/05/55/75/348055575.db2.gz NVFKRFIMUDRRLQ-IVZWLZJFSA-N 2 0 226.324 0.250 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC([NH3+])C1 ZINC000594444756 348055619 /nfs/dbraw/zinc/05/56/19/348055619.db2.gz XHAGLNSFULMSKU-ILDUYXDCSA-N 2 0 238.335 0.346 20 30 BCEDRP C[C@@]1(C#N)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904978 348396205 /nfs/dbraw/zinc/39/62/05/348396205.db2.gz NLWVMYLXCYYZKJ-NEPJUHHUSA-N 2 0 235.331 0.743 20 30 BCEDRP N#Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000599020147 349077059 /nfs/dbraw/zinc/07/70/59/349077059.db2.gz YPHRJPLONAYMHD-AWEZNQCLSA-N 2 0 245.326 0.714 20 30 BCEDRP CN(CCC#N)CCC[NH+]1CCN(C)CC1 ZINC000336684848 350446198 /nfs/dbraw/zinc/44/61/98/350446198.db2.gz VDOOZRNRVXEVKG-UHFFFAOYSA-N 2 0 224.352 0.469 20 30 BCEDRP C#CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363805283 191127216 /nfs/dbraw/zinc/12/72/16/191127216.db2.gz XYVAQTPIPNPAEZ-UHFFFAOYSA-N 2 0 249.402 0.969 20 30 BCEDRP CC[C@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271794616 351437089 /nfs/dbraw/zinc/43/70/89/351437089.db2.gz JSNQVOJKHPXNJA-JTQLQIEISA-N 2 0 224.352 0.951 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000638772717 352715621 /nfs/dbraw/zinc/71/56/21/352715621.db2.gz DVXMHXFQTAZBBZ-LOWVWBTDSA-N 2 0 237.347 0.551 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000638792645 352754659 /nfs/dbraw/zinc/75/46/59/352754659.db2.gz PUOQDCIDPDPMTR-PWSUYJOCSA-N 2 0 223.320 0.163 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170538 353255417 /nfs/dbraw/zinc/25/54/17/353255417.db2.gz QYXKUVZBZXDBEA-VXGBXAGGSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192111194 353542433 /nfs/dbraw/zinc/54/24/33/353542433.db2.gz DYGFJEVTXSWUFO-QWRGUYRKSA-N 2 0 239.363 0.736 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166161 353580179 /nfs/dbraw/zinc/58/01/79/353580179.db2.gz ZOZNHIYOIMJVKI-LLVKDONJSA-N 2 0 239.363 0.609 20 30 BCEDRP C=CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506352 134189256 /nfs/dbraw/zinc/18/92/56/134189256.db2.gz JJSBYDHZOBXXHM-UHFFFAOYSA-N 2 0 237.347 0.364 20 30 BCEDRP CCC(CC)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424085174 200857089 /nfs/dbraw/zinc/85/70/89/200857089.db2.gz ZDVMGSNYTDSKRZ-JTQLQIEISA-N 2 0 240.351 0.641 20 30 BCEDRP N#Cc1ncn(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573386240 364821265 /nfs/dbraw/zinc/82/12/65/364821265.db2.gz XBICZXMXXXCWTK-UWVGGRQHSA-N 2 0 234.307 0.009 20 30 BCEDRP C[N@H+](CCOCC[NH3+])Cc1ccc(C#N)cc1 ZINC000600735621 369560878 /nfs/dbraw/zinc/56/08/78/369560878.db2.gz MQPGKNQSKBHGPR-UHFFFAOYSA-N 2 0 233.315 0.965 20 30 BCEDRP N#Cc1ccc(CNC[C@H]2C[NH2+]CCCO2)o1 ZINC000600769554 369563962 /nfs/dbraw/zinc/56/39/62/369563962.db2.gz ORNJLHRMUUSUAY-GFCCVEGCSA-N 2 0 235.287 0.619 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1CC1 ZINC000424200930 206035046 /nfs/dbraw/zinc/03/50/46/206035046.db2.gz RPISUZUPXZWIMV-GHMZBOCLSA-N 2 0 238.335 0.203 20 30 BCEDRP C[C@@H]1C[N@H+](CCCNCCC#N)CCCO1 ZINC000517926296 384575446 /nfs/dbraw/zinc/57/54/46/384575446.db2.gz NQSOFHLOWYEWJB-GFCCVEGCSA-N 2 0 225.336 0.991 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)CC ZINC000491384824 384654694 /nfs/dbraw/zinc/65/46/94/384654694.db2.gz PTDFHYXFMVGAOI-NSHDSACASA-N 2 0 224.352 0.854 20 30 BCEDRP CN(C)C(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000170910079 385454692 /nfs/dbraw/zinc/45/46/92/385454692.db2.gz AFFHRTKVKRMMCZ-UHFFFAOYSA-N 2 0 234.347 0.995 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000171801560 385518468 /nfs/dbraw/zinc/51/84/68/385518468.db2.gz TWAGQSRTCUPUGE-LLVKDONJSA-N 2 0 224.352 0.951 20 30 BCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594449417 385601448 /nfs/dbraw/zinc/60/14/48/385601448.db2.gz IWRZHLUBOBNIHO-DCAQKATOSA-N 2 0 240.351 0.640 20 30 BCEDRP C#CCNC(NC[C@H]1CC[N@H+](CC)C1)=[NH+]CC ZINC000262602198 533142388 /nfs/dbraw/zinc/14/23/88/533142388.db2.gz DQZYRYONFDYAEG-GFCCVEGCSA-N 2 0 236.363 0.517 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000519647288 386526724 /nfs/dbraw/zinc/52/67/24/386526724.db2.gz LDBXZYZSSZFOEZ-JTQLQIEISA-N 2 0 225.336 0.361 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)[NH2+]1 ZINC000424070362 387476128 /nfs/dbraw/zinc/47/61/28/387476128.db2.gz AJBYLANULJJYDZ-OUAUKWLOSA-N 2 0 238.335 0.216 20 30 BCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424080059 387480821 /nfs/dbraw/zinc/48/08/21/387480821.db2.gz SCOVIZCVHBYEIZ-CMPLNLGQSA-N 2 0 240.351 0.497 20 30 BCEDRP CCC(CC)(C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424085177 387483730 /nfs/dbraw/zinc/48/37/30/387483730.db2.gz ZDVMGSNYTDSKRZ-SNVBAGLBSA-N 2 0 240.351 0.641 20 30 BCEDRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424127124 387604281 /nfs/dbraw/zinc/60/42/81/387604281.db2.gz AOPZOTZOGSZXQO-JTQLQIEISA-N 2 0 240.351 0.464 20 30 BCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424151032 387793787 /nfs/dbraw/zinc/79/37/87/387793787.db2.gz FESXIBHVRFNBDP-HBNTYKKESA-N 2 0 238.335 0.216 20 30 BCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424173614 387873305 /nfs/dbraw/zinc/87/33/05/387873305.db2.gz FGVOWDQNKMRRSU-VHSXEESVSA-N 2 0 238.335 0.264 20 30 BCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424173616 387873620 /nfs/dbraw/zinc/87/36/20/387873620.db2.gz FGVOWDQNKMRRSU-ZJUUUORDSA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424164601 387848945 /nfs/dbraw/zinc/84/89/45/387848945.db2.gz XFBMCKSYJXTPLK-DCAQKATOSA-N 2 0 238.335 0.264 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)C[NH+](CC)CC ZINC000491516673 388300401 /nfs/dbraw/zinc/30/04/01/388300401.db2.gz VGGDLKSKYVEXDK-UHFFFAOYSA-N 2 0 239.363 0.400 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCC1 ZINC000491810631 388322595 /nfs/dbraw/zinc/32/25/95/388322595.db2.gz JOXBVVYPCXDZST-UHFFFAOYSA-N 2 0 208.309 0.172 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000565033703 388910311 /nfs/dbraw/zinc/91/03/11/388910311.db2.gz VOLJNXQXZUIRTP-RISCZKNCSA-N 2 0 249.358 0.505 20 30 BCEDRP C#C[C@H](CC)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262546613 533299378 /nfs/dbraw/zinc/29/93/78/533299378.db2.gz STOTUXZIRRWNMM-NEPJUHHUSA-N 2 0 236.363 0.787 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000262001049 533510564 /nfs/dbraw/zinc/51/05/64/533510564.db2.gz PSQJOMLJLQLMJA-NSHDSACASA-N 2 0 224.352 0.809 20 30 BCEDRP C#CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375900419 134241137 /nfs/dbraw/zinc/24/11/37/134241137.db2.gz GRCMVWDNFOJXJZ-CQSZACIVSA-N 2 0 235.375 0.720 20 30 BCEDRP C#CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378314684 134245950 /nfs/dbraw/zinc/24/59/50/134245950.db2.gz HWBMJWOAMJNPEA-LSDHHAIUSA-N 2 0 249.402 0.968 20 30 BCEDRP CC#CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262027754 135114434 /nfs/dbraw/zinc/11/44/34/135114434.db2.gz NSIXKSKLMDPWJK-NSHDSACASA-N 2 0 222.336 0.398 20 30 BCEDRP C=CCNC(NC[C@@H]1CCC[N@@H+]1C)=[NH+]C ZINC000262949352 135123416 /nfs/dbraw/zinc/12/34/16/135123416.db2.gz BMQDYUWXKYUZPR-JTQLQIEISA-N 2 0 210.325 0.432 20 30 BCEDRP C=CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261531345 135159983 /nfs/dbraw/zinc/15/99/83/135159983.db2.gz GEOWDUWWGIZERW-LBPRGKRZSA-N 2 0 209.337 0.542 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000261534328 135166712 /nfs/dbraw/zinc/16/67/12/135166712.db2.gz MALDPCGPYMGPGY-ZJUUUORDSA-N 2 0 210.325 0.266 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261559713 135200060 /nfs/dbraw/zinc/20/00/60/135200060.db2.gz TZIUQACDXBXONG-WCQYABFASA-N 2 0 237.347 0.363 20 30 BCEDRP C[NH+]=C(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)N(C)C ZINC000261945097 135264984 /nfs/dbraw/zinc/26/49/84/135264984.db2.gz FPISRDULRZCRHX-GXSJLCMTSA-N 2 0 224.352 0.606 20 30 BCEDRP C[NH+]=C(NC1CC1)N[C@@H]1CCN(CCOC)C1 ZINC000262737609 135316712 /nfs/dbraw/zinc/31/67/12/135316712.db2.gz CXNVYFVVPHLSIZ-LLVKDONJSA-N 2 0 240.351 0.035 20 30 BCEDRP CN1CC[NH+]=C1NCC[C@H]1CCC[N@H+](C)C1 ZINC000263142030 135335589 /nfs/dbraw/zinc/33/55/89/135335589.db2.gz OITRDWCBABHWOI-LLVKDONJSA-N 2 0 224.352 0.609 20 30 BCEDRP C#CCNC(=O)CC[NH2+]CCN(CC)CC ZINC000491748467 397867200 /nfs/dbraw/zinc/86/72/00/397867200.db2.gz FABZYNKUHDIKQL-UHFFFAOYSA-N 2 0 225.336 0.057 20 30 BCEDRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438209 397973716 /nfs/dbraw/zinc/97/37/16/397973716.db2.gz HSVBXPPIQFKCCJ-NSHDSACASA-N 2 0 240.351 0.513 20 30 BCEDRP C#CCN(C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000491763373 398065359 /nfs/dbraw/zinc/06/53/59/398065359.db2.gz ACPNFIAMZGFJGA-CYBMUJFWSA-N 2 0 222.332 0.539 20 30 BCEDRP C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000491670996 398058736 /nfs/dbraw/zinc/05/87/36/398058736.db2.gz WBOSCDDDURRINQ-JHJVBQTASA-N 2 0 222.332 0.709 20 30 BCEDRP CC#CC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363466969 398120373 /nfs/dbraw/zinc/12/03/73/398120373.db2.gz IJHIBLQRKGBSIO-HNNXBMFYSA-N 2 0 249.402 0.969 20 30 BCEDRP C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393824865 487587662 /nfs/dbraw/zinc/58/76/62/487587662.db2.gz FUHLLUHKPWNPAR-AAEUAGOBSA-N 2 0 237.347 0.349 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662415071 487604092 /nfs/dbraw/zinc/60/40/92/487604092.db2.gz MLTJJVYKFAGUIU-YPMHNXCESA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH3+])C(C)C ZINC000165200047 166337747 /nfs/dbraw/zinc/33/77/47/166337747.db2.gz QLDWVBZRCNPLMM-GFCCVEGCSA-N 2 0 239.363 0.760 20 30 BCEDRP C=CC[C@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662389819 412141493 /nfs/dbraw/zinc/14/14/93/412141493.db2.gz FSFUJOIRODDWHT-CYBMUJFWSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NCCC[NH2+]CC)CCC[NH2+]1 ZINC000662398860 412147841 /nfs/dbraw/zinc/14/78/41/412147841.db2.gz DXNOSWSMDFBOQU-CYBMUJFWSA-N 2 0 239.363 0.801 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662406708 412152020 /nfs/dbraw/zinc/15/20/20/412152020.db2.gz IVGCPKHCVRBRFX-DGCLKSJQSA-N 2 0 237.347 0.492 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000662417711 412160220 /nfs/dbraw/zinc/16/02/20/412160220.db2.gz JJBDJOIHWLNZLL-YPMHNXCESA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[C@@]1(C(=O)NCCC[NH+](C)C)CCC[NH2+]1 ZINC000662659371 412259776 /nfs/dbraw/zinc/25/97/76/412259776.db2.gz KRPPIRBJVNYWSP-ZDUSSCGKSA-N 2 0 239.363 0.753 20 30 BCEDRP C=CC[C@@]1(C(=O)N[C@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662969570 412359442 /nfs/dbraw/zinc/35/94/42/412359442.db2.gz SVWOICGDBXVQJA-PWSUYJOCSA-N 2 0 225.336 0.409 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)C[NH2+]C)CCC[NH2+]1 ZINC000662969568 412359868 /nfs/dbraw/zinc/35/98/68/412359868.db2.gz SVWOICGDBXVQJA-CMPLNLGQSA-N 2 0 225.336 0.409 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000662758071 412292768 /nfs/dbraw/zinc/29/27/68/412292768.db2.gz QQGALMVUHPVVJB-JQWIXIFHSA-N 2 0 225.336 0.396 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[NH2+]CCC)CCC[NH2+]1 ZINC000662761526 412293839 /nfs/dbraw/zinc/29/38/39/412293839.db2.gz VMJDXPJOHINVKO-ZDUSSCGKSA-N 2 0 239.363 0.801 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)[NH2+]CC)CCC[NH2+]1 ZINC000662772667 412297875 /nfs/dbraw/zinc/29/78/75/412297875.db2.gz CRPWFNOHHNKSNI-YPMHNXCESA-N 2 0 239.363 0.799 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)[NH3+])CCC[NH2+]1 ZINC000662773656 412298419 /nfs/dbraw/zinc/29/84/19/412298419.db2.gz JCYCKSTVLQKFAJ-KOLCDFICSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[NH3+])CC2)C1=O ZINC000566244626 322979251 /nfs/dbraw/zinc/97/92/51/322979251.db2.gz GOUBMHGPLYFUOQ-GFCCVEGCSA-N 2 0 237.347 0.444 20 30 BCEDRP C=CCNC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487041 323020444 /nfs/dbraw/zinc/02/04/44/323020444.db2.gz VWWWXCXTQYAWKU-SRVKXCTJSA-N 2 0 239.363 0.594 20 30 BCEDRP N#CCC[C@H](C#N)C[NH2+]CCn1ccnc1 ZINC000563880932 323182892 /nfs/dbraw/zinc/18/28/92/323182892.db2.gz DFCJTSKZAOXJRD-LLVKDONJSA-N 2 0 217.276 0.916 20 30 BCEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000395732903 323239776 /nfs/dbraw/zinc/23/97/76/323239776.db2.gz OZFUEJCGBOFJES-GFCCVEGCSA-N 2 0 237.347 0.009 20 30 BCEDRP C=CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566571958 326065901 /nfs/dbraw/zinc/06/59/01/326065901.db2.gz IBSVDTFWBNFYAL-WDEREUQCSA-N 2 0 223.320 0.196 20 30 BCEDRP C=CCC[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000573234928 326437158 /nfs/dbraw/zinc/43/71/58/326437158.db2.gz VYDWWUZWQUJRLG-NSHDSACASA-N 2 0 225.336 0.363 20 30 BCEDRP C=CCCOCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000231819951 487477339 /nfs/dbraw/zinc/47/73/39/487477339.db2.gz XZHFVSTYUMQKNE-CYBMUJFWSA-N 2 0 242.363 0.625 20 30 BCEDRP C=CCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304628039 534719668 /nfs/dbraw/zinc/71/96/68/534719668.db2.gz VBEPWXHQZTUJOD-ZDUSSCGKSA-N 2 0 223.364 0.932 20 30 BCEDRP C=CCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000262576057 534845019 /nfs/dbraw/zinc/84/50/19/534845019.db2.gz OILKCJSQGLNQNB-UHFFFAOYSA-N 2 0 240.351 0.188 20 30 BCEDRP CCC[NH+]1CCC(CNC2=[NH+]CCN2C)CC1 ZINC000262663055 535351160 /nfs/dbraw/zinc/35/11/60/535351160.db2.gz NNBDCMKMIUCJCD-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000261993092 535548735 /nfs/dbraw/zinc/54/87/35/535548735.db2.gz MXHSKQOVQANACJ-GMTAPVOTSA-N 2 0 224.352 0.783 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000261993088 535548863 /nfs/dbraw/zinc/54/88/63/535548863.db2.gz MXHSKQOVQANACJ-AXFHLTTASA-N 2 0 224.352 0.783 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC1=[NH+]CCN1C ZINC000262686235 535666712 /nfs/dbraw/zinc/66/67/12/535666712.db2.gz YMJPMFKZUCNUSB-SNVBAGLBSA-N 2 0 212.341 0.608 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854655205 588799413 /nfs/dbraw/zinc/79/94/13/588799413.db2.gz OTRMZXPAGNKKCV-NWDGAFQWSA-N 2 0 239.363 0.655 20 30 BCEDRP C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852854730 583021262 /nfs/dbraw/zinc/02/12/62/583021262.db2.gz NZDGFWOBNTVJSS-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852898218 583023618 /nfs/dbraw/zinc/02/36/18/583023618.db2.gz XFSCTJFEXRBVAR-YPMHNXCESA-N 2 0 249.358 0.328 20 30 BCEDRP CC[NH+](CC)CC[NH+]=C(N(C)C)N(C)C ZINC000104152112 583105934 /nfs/dbraw/zinc/10/59/34/583105934.db2.gz PFWTUMKTQBDWNB-UHFFFAOYSA-N 2 0 214.357 0.807 20 30 BCEDRP CCCCNC(=[NH2+])NCCC[NH+](C)C ZINC000104152807 583109065 /nfs/dbraw/zinc/10/90/65/583109065.db2.gz BDUMDYMRSLLLHM-UHFFFAOYSA-N 2 0 200.330 0.643 20 30 BCEDRP C#CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880140892 583472426 /nfs/dbraw/zinc/47/24/26/583472426.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 0 222.332 0.805 20 30 BCEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c(CO)c1 ZINC000858555728 588965141 /nfs/dbraw/zinc/96/51/41/588965141.db2.gz PHHQROQCIPYKDS-UHFFFAOYSA-N 2 0 233.315 0.941 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCCC[NH+](C)C ZINC000899920415 584252447 /nfs/dbraw/zinc/25/24/47/584252447.db2.gz ONBIQNQPUUAMFM-UHFFFAOYSA-N 2 0 227.352 0.562 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809831 584803628 /nfs/dbraw/zinc/80/36/28/584803628.db2.gz MYIZNLOISREEID-LBPRGKRZSA-N 2 0 242.363 0.753 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000877105783 584890074 /nfs/dbraw/zinc/89/00/74/584890074.db2.gz NBCLDGOSPKENBO-JQWIXIFHSA-N 2 0 225.336 0.490 20 30 BCEDRP C[NH+](C)C[C@](C)(CN=NC(N)=[NH2+])c1ccccc1 ZINC000834938574 584915539 /nfs/dbraw/zinc/91/55/39/584915539.db2.gz ISCOUWWLUIPKCH-ZDUSSCGKSA-N 2 0 247.346 0.975 20 30 BCEDRP C=CCNC(NC[C@@H]1CC[N@H+](C)C1)=[NH+]C ZINC000103902249 585016516 /nfs/dbraw/zinc/01/65/16/585016516.db2.gz MGMCLOPJCCZSBB-JTQLQIEISA-N 2 0 210.325 0.289 20 30 BCEDRP C[C@@H]1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CN1C ZINC000753937672 585272425 /nfs/dbraw/zinc/27/24/25/585272425.db2.gz YSQVYDXXRHYBOW-JLLWLGSASA-N 2 0 249.362 0.926 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000805430101 585592564 /nfs/dbraw/zinc/59/25/64/585592564.db2.gz SQWRBOYQXJBJGS-JTQLQIEISA-N 2 0 213.325 0.171 20 30 BCEDRP C#CCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778950314 585742544 /nfs/dbraw/zinc/74/25/44/585742544.db2.gz IJZWFQRPEARWNZ-UHFFFAOYSA-N 2 0 237.391 0.969 20 30 BCEDRP C[C@@H]1CNC(NN=C2CCC[N@H+](C)CC2)=[NH+]1 ZINC000779792008 585763852 /nfs/dbraw/zinc/76/38/52/585763852.db2.gz HOYYKEGQSJHFCI-SECBINFHSA-N 2 0 223.324 0.395 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822625050 587177970 /nfs/dbraw/zinc/17/79/70/587177970.db2.gz IWKVZZIXJLDQIE-GFCCVEGCSA-N 2 0 239.363 0.561 20 30 BCEDRP C[C@H]1CNC(NN=C2CCC[N@@H+]3CCCC[C@@H]23)=[NH+]1 ZINC000848408209 588379099 /nfs/dbraw/zinc/37/90/99/588379099.db2.gz GUUOYFFOXCAZJO-JQWIXIFHSA-N 2 0 249.362 0.928 20 30 BCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848721143 588408247 /nfs/dbraw/zinc/40/82/47/588408247.db2.gz BPCUMJZEMNDHIB-GHMZBOCLSA-N 2 0 246.376 0.447 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCCCC2)N1 ZINC000848982649 588424460 /nfs/dbraw/zinc/42/44/60/588424460.db2.gz PURLGULKAOYWPL-LLVKDONJSA-N 2 0 224.352 0.800 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000848987917 588426355 /nfs/dbraw/zinc/42/63/55/588426355.db2.gz PACWXHPRJKENQI-UHFFFAOYSA-N 2 0 240.351 0.133 20 30 BCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC1 ZINC000848992497 588427973 /nfs/dbraw/zinc/42/79/73/588427973.db2.gz DRFJEUDFCKUSQY-JTQLQIEISA-N 2 0 236.363 0.798 20 30 BCEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)NC1CC1 ZINC000849001685 588431164 /nfs/dbraw/zinc/43/11/64/588431164.db2.gz QPFATIVERPNBAY-VIFPVBQESA-N 2 0 224.352 0.797 20 30 BCEDRP CNC(NC[C@@H]1CCCC[N@@H+]1C1CC1)=[NH+]C ZINC000849023216 588439547 /nfs/dbraw/zinc/43/95/47/588439547.db2.gz YXFSRQAFUBSEDW-NSHDSACASA-N 2 0 224.352 0.798 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCC1CC[NH2+]CC1 ZINC000852792923 588702925 /nfs/dbraw/zinc/70/29/25/588702925.db2.gz IVCDORAHRXUYMH-UHFFFAOYSA-N 2 0 249.358 0.105 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000852796875 588703559 /nfs/dbraw/zinc/70/35/59/588703559.db2.gz ILGQGECCERYGHV-VXGBXAGGSA-N 2 0 249.358 0.198 20 30 BCEDRP C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852861775 588709175 /nfs/dbraw/zinc/70/91/75/588709175.db2.gz JJLKWVXUEOQBBB-CYBMUJFWSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852876566 588710436 /nfs/dbraw/zinc/71/04/36/588710436.db2.gz LQEZALAYUGILSA-WCQYABFASA-N 2 0 249.358 0.104 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)C[NH3+])CCC[NH2+]1 ZINC000852877769 588710540 /nfs/dbraw/zinc/71/05/40/588710540.db2.gz CXKBHIOPPPHTNR-GXSJLCMTSA-N 2 0 211.309 0.148 20 30 BCEDRP CC1([NH3+])CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852878402 588710646 /nfs/dbraw/zinc/71/06/46/588710646.db2.gz KDLCPHBUOFRXKO-UHFFFAOYSA-N 2 0 249.358 0.329 20 30 BCEDRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852878368 588710736 /nfs/dbraw/zinc/71/07/36/588710736.db2.gz JHEWDLANPPUQIX-CHWSQXEVSA-N 2 0 249.358 0.376 20 30 BCEDRP C[NH2+]CCCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852892993 588711825 /nfs/dbraw/zinc/71/18/25/588711825.db2.gz QMGXFSRVZXJBMJ-UHFFFAOYSA-N 2 0 237.347 0.057 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[NH2+]C1CC1 ZINC000852894150 588711838 /nfs/dbraw/zinc/71/18/38/588711838.db2.gz FUVWUFDHFCAINC-UHFFFAOYSA-N 2 0 249.358 0.248 20 30 BCEDRP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCCC1 ZINC000852905714 588712604 /nfs/dbraw/zinc/71/26/04/588712604.db2.gz AJWUXVYTKPFQMC-UHFFFAOYSA-N 2 0 249.358 0.377 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000120485688 589421708 /nfs/dbraw/zinc/42/17/08/589421708.db2.gz SOEIMVHUHNHCQV-JTQLQIEISA-N 2 0 212.341 0.641 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH2+]CC ZINC000876509378 590204991 /nfs/dbraw/zinc/20/49/91/590204991.db2.gz KIKYOGLPXRBMBU-SECBINFHSA-N 2 0 233.743 0.572 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] ZINC000876531915 590206683 /nfs/dbraw/zinc/20/66/83/590206683.db2.gz STZBKTVDKOHLIX-SFYZADRCSA-N 2 0 219.716 0.262 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514784 590206734 /nfs/dbraw/zinc/20/67/34/590206734.db2.gz ZKOZMCGYQKBLAC-UWVGGRQHSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525660 590208296 /nfs/dbraw/zinc/20/82/96/590208296.db2.gz MSGFNULSZXRXBH-VHSXEESVSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000876526649 590208742 /nfs/dbraw/zinc/20/87/42/590208742.db2.gz ZKNQYAAKJQQFIV-UWVGGRQHSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000876529322 590209763 /nfs/dbraw/zinc/20/97/63/590209763.db2.gz GCEUFISJHRKPER-IUCAKERBSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876536405 590211152 /nfs/dbraw/zinc/21/11/52/590211152.db2.gz BZEPCVWGKWXEJZ-DTWKUNHWSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000876541249 590212280 /nfs/dbraw/zinc/21/22/80/590212280.db2.gz VZZUIWJCGDLQGB-NXEZZACHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000876733458 590234191 /nfs/dbraw/zinc/23/41/91/590234191.db2.gz YIASFFHFKNLRNZ-UWVGGRQHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+](C)C ZINC000876735132 590234553 /nfs/dbraw/zinc/23/45/53/590234553.db2.gz LBDSZBALJFMBMI-DTWKUNHWSA-N 2 0 233.743 0.523 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000876733627 590234670 /nfs/dbraw/zinc/23/46/70/590234670.db2.gz CYFSORWFUUVVHG-NXEZZACHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000876789933 590241338 /nfs/dbraw/zinc/24/13/38/590241338.db2.gz NNAUBWXEIDYGDT-SECBINFHSA-N 2 0 231.727 0.230 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[NH2+]C ZINC000876791408 590241388 /nfs/dbraw/zinc/24/13/88/590241388.db2.gz DMZYERGCEOUKCF-MRVPVSSYSA-N 2 0 219.716 0.134 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836621 590248244 /nfs/dbraw/zinc/24/82/44/590248244.db2.gz DWGSSOXROKHPHL-RKDXNWHRSA-N 2 0 233.743 0.571 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857314 590250201 /nfs/dbraw/zinc/25/02/01/590250201.db2.gz AYAWPXRAIQMQOX-DTWKUNHWSA-N 2 0 233.743 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])CC ZINC000876863552 590251055 /nfs/dbraw/zinc/25/10/55/590251055.db2.gz GRNRALZQSVQBIA-HTQZYQBOSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916678 590256819 /nfs/dbraw/zinc/25/68/19/590256819.db2.gz XXJOUUYVUCMGRX-DTWKUNHWSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC[NH2+]C ZINC000876922034 590257340 /nfs/dbraw/zinc/25/73/40/590257340.db2.gz PRJNAGYFPVAWIB-VIFPVBQESA-N 2 0 233.743 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)CC[NH3+] ZINC000876927142 590257927 /nfs/dbraw/zinc/25/79/27/590257927.db2.gz SEVUPNYNOPQOOO-QMMMGPOBSA-N 2 0 233.743 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000876977245 590263838 /nfs/dbraw/zinc/26/38/38/590263838.db2.gz SVLORGRYDQIIHR-NXEZZACHSA-N 2 0 247.770 0.946 20 30 BCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000877023028 590270270 /nfs/dbraw/zinc/27/02/70/590270270.db2.gz BCUHZXFHLQFSJW-QWHCGFSZSA-N 2 0 249.358 0.246 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107730 590286020 /nfs/dbraw/zinc/28/60/20/590286020.db2.gz KSCFJGFMRAGURD-JGVFFNPUSA-N 2 0 219.716 0.262 20 30 BCEDRP C=CC[C@H](C(=O)OC)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877981919 590465054 /nfs/dbraw/zinc/46/50/54/590465054.db2.gz BZVRQDZZKPHXJX-OUAUKWLOSA-N 2 0 224.304 0.255 20 30 BCEDRP Cc1cc(NCC[N@H+](C)CCO)c(C#N)cn1 ZINC000884826169 592017724 /nfs/dbraw/zinc/01/77/24/592017724.db2.gz MKUFZNCANIILDB-UHFFFAOYSA-N 2 0 234.303 0.020 20 30 BCEDRP N#CC1(C[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000885960570 592115903 /nfs/dbraw/zinc/11/59/03/592115903.db2.gz NDZIRYNKMVCKJQ-AVGNSLFASA-N 2 0 249.358 0.582 20 30 BCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC1CC1 ZINC000103337554 592579228 /nfs/dbraw/zinc/57/92/28/592579228.db2.gz CRWWTGDDHSVBMC-VIFPVBQESA-N 2 0 210.325 0.266 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000104153955 592602227 /nfs/dbraw/zinc/60/22/27/592602227.db2.gz QUJBKEXSIGNVCQ-LLVKDONJSA-N 2 0 240.351 0.118 20 30 BCEDRP C#CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000178586226 635534376 /nfs/dbraw/zinc/53/43/76/635534376.db2.gz PDZXMBUPWTYQMW-GFCCVEGCSA-N 2 0 236.363 0.788 20 30 BCEDRP CNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157364279 632429075 /nfs/dbraw/zinc/42/90/75/632429075.db2.gz CCWDSJSIGIRUBI-LLVKDONJSA-N 2 0 226.368 0.889 20 30 BCEDRP C[C@H](C#N)OCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310317168 632716900 /nfs/dbraw/zinc/71/69/00/632716900.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 2 0 237.347 0.799 20 30 BCEDRP CNC(NC[C@H](C)C[NH+]1CCCC1)=[NH+]C ZINC000066245611 632860790 /nfs/dbraw/zinc/86/07/90/632860790.db2.gz ZXCJDKDIBVEGKI-JTQLQIEISA-N 2 0 212.341 0.513 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907894 633177183 /nfs/dbraw/zinc/17/71/83/633177183.db2.gz MYCHNNYWMZUJII-JTQLQIEISA-N 2 0 228.340 0.021 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928445081 635949019 /nfs/dbraw/zinc/94/90/19/635949019.db2.gz WQCUSOCQQMNZBH-GHMZBOCLSA-N 2 0 225.336 0.313 20 30 BCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000194684449 634328906 /nfs/dbraw/zinc/32/89/06/634328906.db2.gz XASJPWGERLNUKX-ZJUUUORDSA-N 2 0 212.341 0.641 20 30 BCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407155 635220255 /nfs/dbraw/zinc/22/02/55/635220255.db2.gz WEWBSBTZMYRJGD-ZDUSSCGKSA-N 2 0 249.358 0.248 20 30 BCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980539571 635235780 /nfs/dbraw/zinc/23/57/80/635235780.db2.gz RWZJQUISGSYYSJ-GFCCVEGCSA-N 2 0 248.330 0.602 20 30 BCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000980539572 635236196 /nfs/dbraw/zinc/23/61/96/635236196.db2.gz RWZJQUISGSYYSJ-LBPRGKRZSA-N 2 0 248.330 0.602 20 30 BCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303886116 636311618 /nfs/dbraw/zinc/31/16/18/636311618.db2.gz KBZSVQCEBOBFCS-QWRGUYRKSA-N 2 0 242.367 0.267 20 30 BCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797524 636881656 /nfs/dbraw/zinc/88/16/56/636881656.db2.gz YIXIUPZOENZGIU-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+](CC)CC ZINC000899905723 637151477 /nfs/dbraw/zinc/15/14/77/637151477.db2.gz YMHNWALWRPVFBT-UHFFFAOYSA-N 2 0 241.379 0.952 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000908344904 638658964 /nfs/dbraw/zinc/65/89/64/638658964.db2.gz HDHJSGXHQXSQAM-LLVKDONJSA-N 2 0 241.379 0.808 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000911723505 639748038 /nfs/dbraw/zinc/74/80/38/639748038.db2.gz FAKGXDZTUHIEBJ-WDEREUQCSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708070 639759628 /nfs/dbraw/zinc/75/96/28/639759628.db2.gz TZYGKYHJUCOISO-VXGBXAGGSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736601 639761954 /nfs/dbraw/zinc/76/19/54/639761954.db2.gz MQKUXZGTGICXHG-NEPJUHHUSA-N 2 0 239.363 0.880 20 30 BCEDRP C#CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911764942 639791059 /nfs/dbraw/zinc/79/10/59/639791059.db2.gz QDJALLXHUGWDCS-LBPRGKRZSA-N 2 0 231.299 0.025 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH3+] ZINC000911846283 639857046 /nfs/dbraw/zinc/85/70/46/639857046.db2.gz OXRVMJZFBCNSFN-VIFPVBQESA-N 2 0 213.325 0.524 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000911850070 639857846 /nfs/dbraw/zinc/85/78/46/639857846.db2.gz YOSMBFHLDWHZKK-GFCCVEGCSA-N 2 0 241.379 0.807 20 30 BCEDRP C=C(C)[C@@H](CO)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482635 640233130 /nfs/dbraw/zinc/23/31/30/640233130.db2.gz KAFWTACCUFXRQX-GFCCVEGCSA-N 2 0 242.363 0.312 20 30 BCEDRP CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305836265 642703148 /nfs/dbraw/zinc/70/31/48/642703148.db2.gz WWAHYPYRXHOQPY-SNVBAGLBSA-N 2 0 212.341 0.785 20 30 BCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010381845 642861504 /nfs/dbraw/zinc/86/15/04/642861504.db2.gz DFDURQWITNOMDZ-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016259353 642951314 /nfs/dbraw/zinc/95/13/14/642951314.db2.gz PIHYOTIZLQXQBR-LBPRGKRZSA-N 2 0 237.347 0.459 20 30 BCEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016256951 642952815 /nfs/dbraw/zinc/95/28/15/642952815.db2.gz TXAPAFJHEVLHCO-VXGBXAGGSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001020301344 643064790 /nfs/dbraw/zinc/06/47/90/643064790.db2.gz YLZVOZKSKGDYEJ-AVGNSLFASA-N 2 0 249.358 0.341 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000969989189 643262632 /nfs/dbraw/zinc/26/26/32/643262632.db2.gz IULYDHJTUSVZME-NEPJUHHUSA-N 2 0 239.363 0.703 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051965 643394823 /nfs/dbraw/zinc/39/48/23/643394823.db2.gz SVXZLVQQXMUMRD-HAQNSBGRSA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047745 643395145 /nfs/dbraw/zinc/39/51/45/643395145.db2.gz NGTPTWDPXLOCGJ-IJLUTSLNSA-N 2 0 237.347 0.361 20 30 BCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712475 643511146 /nfs/dbraw/zinc/51/11/46/643511146.db2.gz OZVKKBSHMTWXQF-NWDGAFQWSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997296740 643607938 /nfs/dbraw/zinc/60/79/38/643607938.db2.gz BRGQFGYIQUWKEX-GFCCVEGCSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998554903 643713279 /nfs/dbraw/zinc/71/32/79/643713279.db2.gz BUGSADGQEZPPDX-BPCQOVAHSA-N 2 0 249.358 0.293 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923332013 644360738 /nfs/dbraw/zinc/36/07/38/644360738.db2.gz NSOPEIWRLDJERX-UTUOFQBUSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378974 644391329 /nfs/dbraw/zinc/39/13/29/644391329.db2.gz MFMHEUQWKKMUJT-VXGBXAGGSA-N 2 0 228.336 0.363 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923426767 644422900 /nfs/dbraw/zinc/42/29/00/644422900.db2.gz QLMFMTDMMQKFQM-RWMBFGLXSA-N 2 0 224.348 0.855 20 30 BCEDRP N#Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923463818 644449720 /nfs/dbraw/zinc/44/97/20/644449720.db2.gz WASQCRYKUXNGMD-UHFFFAOYSA-N 2 0 244.342 0.553 20 30 BCEDRP C=CCC[C@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474893 644454813 /nfs/dbraw/zinc/45/48/13/644454813.db2.gz WWFGKWRZTZWCRE-NWDGAFQWSA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504001 644475607 /nfs/dbraw/zinc/47/56/07/644475607.db2.gz NTBAHZDDHCHMQL-GHMZBOCLSA-N 2 0 225.336 0.205 20 30 BCEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516024 644480847 /nfs/dbraw/zinc/48/08/47/644480847.db2.gz RGSAKOMSKFMFFO-YNEHKIRRSA-N 2 0 224.348 0.855 20 30 BCEDRP C=CCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957653346 644746727 /nfs/dbraw/zinc/74/67/27/644746727.db2.gz RXQBWFQGSAVJSH-GFCCVEGCSA-N 2 0 237.347 0.268 20 30 BCEDRP CCNC(NC[C@@H]1CC[N@H+](C)C1)=[NH+]CC ZINC000303253530 644811373 /nfs/dbraw/zinc/81/13/73/644811373.db2.gz CYMMTBFXGWBRBC-JTQLQIEISA-N 2 0 212.341 0.513 20 30 BCEDRP CNC(NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)=[NH+]C ZINC000303252173 644811776 /nfs/dbraw/zinc/81/17/76/644811776.db2.gz BERDAOISNZZKOY-QWRGUYRKSA-N 2 0 242.367 0.281 20 30 BCEDRP CNC(NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000303261228 644813090 /nfs/dbraw/zinc/81/30/90/644813090.db2.gz ODNRUCRYHQNWBJ-QWRGUYRKSA-N 2 0 226.368 0.902 20 30 BCEDRP CNC(NCCC[NH+]1CCC(C)CC1)=[NH+]C ZINC000303267728 644813965 /nfs/dbraw/zinc/81/39/65/644813965.db2.gz XLYBCLAMEZDTOG-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303876450 644852967 /nfs/dbraw/zinc/85/29/67/644852967.db2.gz FAWADUFZNVGHMA-UHFFFAOYSA-N 2 0 242.367 0.413 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303873691 644853212 /nfs/dbraw/zinc/85/32/12/644853212.db2.gz GWESJMBGGWSKIH-NSHDSACASA-N 2 0 226.368 0.983 20 30 BCEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303890797 644854155 /nfs/dbraw/zinc/85/41/55/644854155.db2.gz MQWKIUKWJWSVRB-NSHDSACASA-N 2 0 226.368 0.889 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000303901186 644855839 /nfs/dbraw/zinc/85/58/39/644855839.db2.gz SNPQVHOCWYVUCE-JTQLQIEISA-N 2 0 212.341 0.595 20 30 BCEDRP CCCNC(=[NH2+])NC[C@@H](CC[NH+](C)C)OCC ZINC000304827653 644935220 /nfs/dbraw/zinc/93/52/20/644935220.db2.gz IEGUJOGARDIYRO-LLVKDONJSA-N 2 0 244.383 0.658 20 30 BCEDRP CN(C[C@H](O)CC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000929703411 646258685 /nfs/dbraw/zinc/25/86/85/646258685.db2.gz UGEXSIPZJWFXMN-NWDGAFQWSA-N 2 0 225.336 0.535 20 30 BCEDRP CN(C[C@H](O)CC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000929703419 646259534 /nfs/dbraw/zinc/25/95/34/646259534.db2.gz UGEXSIPZJWFXMN-VXGBXAGGSA-N 2 0 225.336 0.535 20 30 BCEDRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391211 /nfs/dbraw/zinc/39/12/11/646391211.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 2 0 239.363 0.923 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925773118 646472774 /nfs/dbraw/zinc/47/27/74/646472774.db2.gz WWYUTZTZDIJOCK-QJPTWQEYSA-N 2 0 212.337 0.901 20 30 BCEDRP CNC(NCC1([NH+](C)C)CCCC1)=[NH+]C ZINC000395162376 711203682 /nfs/dbraw/zinc/20/36/82/711203682.db2.gz RSYWZAWCJWFFKP-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033457287 711991893 /nfs/dbraw/zinc/99/18/93/711991893.db2.gz HNVMAYGZCJSZRQ-LBPRGKRZSA-N 2 0 246.314 0.118 20 30 BCEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000714997031 712503638 /nfs/dbraw/zinc/50/36/38/712503638.db2.gz XRRRYDGMVCDGFV-STQMWFEESA-N 2 0 223.364 0.931 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715769014 712532434 /nfs/dbraw/zinc/53/24/34/712532434.db2.gz MKPLXYIBGQEOQP-UHFFFAOYSA-N 2 0 249.358 0.154 20 30 BCEDRP CC#CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000717728515 712667718 /nfs/dbraw/zinc/66/77/18/712667718.db2.gz OWOJYTFTFQNRFE-RLAWYHOSSA-N 2 0 236.359 0.976 20 30 BCEDRP C[C@@H](CCC#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000602524012 349576884 /nfs/dbraw/zinc/57/68/84/349576884.db2.gz JRBTZOQFAJFHEM-STQMWFEESA-N 2 0 239.363 0.973 20 30 BCEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000602573445 349622887 /nfs/dbraw/zinc/62/28/87/349622887.db2.gz JRHLPXMGKZZUPD-HBNTYKKESA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602595617 349644095 /nfs/dbraw/zinc/64/40/95/349644095.db2.gz IYKNDSHLPIIRKA-VWYCJHECSA-N 2 0 238.335 0.346 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000236659429 343105538 /nfs/dbraw/zinc/10/55/38/343105538.db2.gz APHHVGOHZLDUHT-UHFFFAOYSA-N 2 0 237.347 0.505 20 30 BCEDRP C[N@@H+]1CC[C@](O)(CNCc2cccc(C#N)n2)C1 ZINC000602611350 343934770 /nfs/dbraw/zinc/93/47/70/343934770.db2.gz KJWLFGVEOOWXRG-ZDUSSCGKSA-N 2 0 246.314 0.109 20 30 BCEDRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000600712535 344361788 /nfs/dbraw/zinc/36/17/88/344361788.db2.gz XYAKUKBMCOANDT-NWDGAFQWSA-N 2 0 225.336 0.894 20 30 BCEDRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CCC#N)CC1 ZINC000563271145 323107209 /nfs/dbraw/zinc/10/72/09/323107209.db2.gz LXUBLYWKEDJTIB-ZDUSSCGKSA-N 2 0 239.363 0.973 20 30 BCEDRP C=CC[N@@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000563628366 323132377 /nfs/dbraw/zinc/13/23/77/323132377.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 0 242.363 0.576 20 30 BCEDRP C=CCN1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000580327435 347150823 /nfs/dbraw/zinc/15/08/23/347150823.db2.gz LRZFRTBHVTZEGM-WOPDTQHZSA-N 2 0 237.347 0.442 20 30 BCEDRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592047394 347724330 /nfs/dbraw/zinc/72/43/30/347724330.db2.gz KZASWERCKAZXNC-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427963 348045064 /nfs/dbraw/zinc/04/50/64/348045064.db2.gz YPDHJUKVNVFYKZ-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424395 348051089 /nfs/dbraw/zinc/05/10/89/348051089.db2.gz CQSHRFMOIIDXIJ-VIFPVBQESA-N 2 0 226.324 0.251 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000594425721 348051971 /nfs/dbraw/zinc/05/19/71/348051971.db2.gz MNRXBJQTZKBNCY-MNOVXSKESA-N 2 0 238.335 0.251 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594425622 348052158 /nfs/dbraw/zinc/05/21/58/348052158.db2.gz LPFVYJVULBIMNH-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594425608 348052358 /nfs/dbraw/zinc/05/23/58/348052358.db2.gz LNDVCALYBPQQFL-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000594438812 348054225 /nfs/dbraw/zinc/05/42/25/348054225.db2.gz LZOYWWCIIKVZBJ-GHMZBOCLSA-N 2 0 238.335 0.251 20 30 BCEDRP N#CCC[C@@H](C#N)C[NH2+]CCn1ccnc1 ZINC000563880933 323182810 /nfs/dbraw/zinc/18/28/10/323182810.db2.gz DFCJTSKZAOXJRD-NSHDSACASA-N 2 0 217.276 0.916 20 30 BCEDRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])CCCCC#N ZINC000595934971 348391850 /nfs/dbraw/zinc/39/18/50/348391850.db2.gz PMESAYMZTOXQRW-SNVBAGLBSA-N 2 0 240.351 0.593 20 30 BCEDRP C=CCNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 ZINC000272439709 351475551 /nfs/dbraw/zinc/47/55/51/351475551.db2.gz UNDPLKGXVSIHGD-UHFFFAOYSA-N 2 0 224.352 0.809 20 30 BCEDRP Cc1nccn1CCCNC1=[NH+]C[C@H](C)N1 ZINC000284923646 352010221 /nfs/dbraw/zinc/01/02/21/352010221.db2.gz BYMPJHROBRVGLB-VIFPVBQESA-N 2 0 221.308 0.519 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]CC)CC1 ZINC000638100932 351981491 /nfs/dbraw/zinc/98/14/91/351981491.db2.gz ODMUZWCORHCCCZ-NSHDSACASA-N 2 0 239.363 0.751 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCCNc2ccccn2)N1 ZINC000285091213 352021441 /nfs/dbraw/zinc/02/14/41/352021441.db2.gz NWKQZIZRXHDJAL-JTQLQIEISA-N 2 0 233.319 0.821 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170537 353255033 /nfs/dbraw/zinc/25/50/33/353255033.db2.gz QYXKUVZBZXDBEA-NWDGAFQWSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000285867568 353546931 /nfs/dbraw/zinc/54/69/31/353546931.db2.gz ZPIVYEHMQBTBLR-JTQLQIEISA-N 2 0 225.336 0.348 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000285867573 353547103 /nfs/dbraw/zinc/54/71/03/353547103.db2.gz ZPIVYEHMQBTBLR-SNVBAGLBSA-N 2 0 225.336 0.348 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063166113 353579894 /nfs/dbraw/zinc/57/98/94/353579894.db2.gz HKNBGPALFFJZHQ-UHFFFAOYSA-N 2 0 225.336 0.220 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)/C=C/C[NH+](C)C ZINC000293937707 353765188 /nfs/dbraw/zinc/76/51/88/353765188.db2.gz ISBFORFLVUKKLJ-SOFGYWHQSA-N 2 0 237.347 0.176 20 30 BCEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC#N)CC1 ZINC000583626132 355934899 /nfs/dbraw/zinc/93/48/99/355934899.db2.gz GCVPRWLWGKJCLI-CYBMUJFWSA-N 2 0 238.379 0.763 20 30 BCEDRP C=CCCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351640287 356040312 /nfs/dbraw/zinc/04/03/12/356040312.db2.gz GMQQZQAINBSSKO-UHFFFAOYSA-N 2 0 239.363 0.706 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309976 192210347 /nfs/dbraw/zinc/21/03/47/192210347.db2.gz PFGZGZHMRMANRS-RNJOBUHISA-N 2 0 249.358 0.442 20 30 BCEDRP C=C(C)[C@@H](CO)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767406 356696594 /nfs/dbraw/zinc/69/65/94/356696594.db2.gz QYZDYHGDUWILIG-CHWSQXEVSA-N 2 0 242.363 0.312 20 30 BCEDRP CN(C)C(=[NH2+])NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000134507885 358793529 /nfs/dbraw/zinc/79/35/29/358793529.db2.gz AOZJBOFKZXGGLJ-GHMZBOCLSA-N 2 0 240.351 0.116 20 30 BCEDRP COCC#CCN1CC[C@H](C[NH+](C)C)C1 ZINC000677817324 491138545 /nfs/dbraw/zinc/13/85/45/491138545.db2.gz KCTJLWJAEPIHHQ-GFCCVEGCSA-N 2 0 210.321 0.520 20 30 BCEDRP C=CCCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000071276173 359075768 /nfs/dbraw/zinc/07/57/68/359075768.db2.gz PLYXKPRCNMHBMF-LBPRGKRZSA-N 2 0 239.363 0.740 20 30 BCEDRP C#CCNC(N[C@H]1CC[N@@H+](C2CCCC2)C1)=[NH+]C ZINC000083512450 359796687 /nfs/dbraw/zinc/79/66/87/359796687.db2.gz FGBAXEKIWDWEBE-LBPRGKRZSA-N 2 0 248.374 0.802 20 30 BCEDRP C=CCn1cc(C[NH2+][C@@H](C)CCC[NH3+])nn1 ZINC000424386767 200927089 /nfs/dbraw/zinc/92/70/89/200927089.db2.gz XWYVOXXOAKZEAE-JTQLQIEISA-N 2 0 223.324 0.681 20 30 BCEDRP CC#CCN1CCN(c2ncc[nH]2)CC1 ZINC000575193168 365235908 /nfs/dbraw/zinc/23/59/08/365235908.db2.gz GSOSLAAWGCHAKZ-UHFFFAOYSA-N 2 0 204.277 0.555 20 30 BCEDRP C=CCNC(=O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180033520 541506836 /nfs/dbraw/zinc/50/68/36/541506836.db2.gz ZASWJWORFLACRV-QWRGUYRKSA-N 2 0 225.336 0.361 20 30 BCEDRP C=CCCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566571957 326065717 /nfs/dbraw/zinc/06/57/17/326065717.db2.gz IBSVDTFWBNFYAL-QWRGUYRKSA-N 2 0 223.320 0.196 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000424200936 206035984 /nfs/dbraw/zinc/03/59/84/206035984.db2.gz RPISUZUPXZWIMV-MNOVXSKESA-N 2 0 238.335 0.203 20 30 BCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849813 384175717 /nfs/dbraw/zinc/17/57/17/384175717.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CCCNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261955249 533044235 /nfs/dbraw/zinc/04/42/35/533044235.db2.gz IOPJKVJVSNHNLP-DGCLKSJQSA-N 2 0 248.374 0.657 20 30 BCEDRP C[C@@H]1CCC[C@](CNC(N)=[NH2+])([NH+](C)C)C1 ZINC000203484998 385059337 /nfs/dbraw/zinc/05/93/37/385059337.db2.gz VUOLADOUNZMGAY-KOLCDFICSA-N 2 0 212.341 0.770 20 30 BCEDRP C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000320613230 385409694 /nfs/dbraw/zinc/40/96/94/385409694.db2.gz HAYYIQFLONCWEG-QWHCGFSZSA-N 2 0 242.363 0.360 20 30 BCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594449419 385601230 /nfs/dbraw/zinc/60/12/30/385601230.db2.gz IWRZHLUBOBNIHO-HBNTYKKESA-N 2 0 240.351 0.640 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)[NH2+]1 ZINC000424070357 387475622 /nfs/dbraw/zinc/47/56/22/387475622.db2.gz AJBYLANULJJYDZ-AXFHLTTASA-N 2 0 238.335 0.216 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000424074746 387478554 /nfs/dbraw/zinc/47/85/54/387478554.db2.gz HVRJFBXBWAWDKD-JTQLQIEISA-N 2 0 238.335 0.395 20 30 BCEDRP C[C@](C[NH3+])(NC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424086035 387486554 /nfs/dbraw/zinc/48/65/54/387486554.db2.gz ZWDQNCYJGKFWHN-CMPLNLGQSA-N 2 0 238.335 0.251 20 30 BCEDRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424127125 387604064 /nfs/dbraw/zinc/60/40/64/387604064.db2.gz AOPZOTZOGSZXQO-SNVBAGLBSA-N 2 0 240.351 0.464 20 30 BCEDRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C ZINC000424151029 387793092 /nfs/dbraw/zinc/79/30/92/387793092.db2.gz FESXIBHVRFNBDP-DCAQKATOSA-N 2 0 238.335 0.216 20 30 BCEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000442763620 387835975 /nfs/dbraw/zinc/83/59/75/387835975.db2.gz BCMAPVSPUMNYHB-JHJVBQTASA-N 2 0 237.347 0.725 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000424160158 387839064 /nfs/dbraw/zinc/83/90/64/387839064.db2.gz QROCEDJUXROMAR-MNOVXSKESA-N 2 0 238.335 0.266 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000424160156 387839790 /nfs/dbraw/zinc/83/97/90/387839790.db2.gz QROCEDJUXROMAR-GHMZBOCLSA-N 2 0 238.335 0.266 20 30 BCEDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442798367 387843382 /nfs/dbraw/zinc/84/33/82/387843382.db2.gz YPWUSWYECVBXJL-NEPJUHHUSA-N 2 0 237.347 0.725 20 30 BCEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000424189662 387914164 /nfs/dbraw/zinc/91/41/64/387914164.db2.gz LCNYLZNSSSVAEM-JTQLQIEISA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424219074 387936450 /nfs/dbraw/zinc/93/64/50/387936450.db2.gz ZEFBWZLOEFBQTP-OUAUKWLOSA-N 2 0 238.335 0.394 20 30 BCEDRP C#CCNC(=O)CC[NH2+]CCN(CC)C1CC1 ZINC000491441205 388294590 /nfs/dbraw/zinc/29/45/90/388294590.db2.gz ULNRYTUYWGEBMP-UHFFFAOYSA-N 2 0 237.347 0.200 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000491484580 388298194 /nfs/dbraw/zinc/29/81/94/388298194.db2.gz JMEFBKIEGICONB-UHFFFAOYSA-N 2 0 236.363 0.856 20 30 BCEDRP C#CC[N@@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000491691605 388311109 /nfs/dbraw/zinc/31/11/09/388311109.db2.gz FQFYURDBGBAELZ-UHFFFAOYSA-N 2 0 224.352 0.421 20 30 BCEDRP C#CC(C)(C)[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000491703812 388312961 /nfs/dbraw/zinc/31/29/61/388312961.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 0 242.363 0.269 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368917792 134220803 /nfs/dbraw/zinc/22/08/03/134220803.db2.gz SJDWFSHZOIVOBE-MNOVXSKESA-N 2 0 238.335 0.150 20 30 BCEDRP C#CCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000371203999 134228143 /nfs/dbraw/zinc/22/81/43/134228143.db2.gz FBHQATHXJDCPMF-CQSZACIVSA-N 2 0 235.375 0.722 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](C)CC2)N1 ZINC000261538383 135176190 /nfs/dbraw/zinc/17/61/90/135176190.db2.gz XXLSMNAYQMFCEA-SECBINFHSA-N 2 0 210.325 0.266 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCC2CC[NH+](C)CC2)N1 ZINC000261582337 135223632 /nfs/dbraw/zinc/22/36/32/135223632.db2.gz OFEQPGYGAKGPBS-JTQLQIEISA-N 2 0 224.352 0.656 20 30 BCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000044514366 135226035 /nfs/dbraw/zinc/22/60/35/135226035.db2.gz MBCIIRIDEQZLCI-JTQLQIEISA-N 2 0 225.336 0.348 20 30 BCEDRP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C3CC3)C2)N1 ZINC000261593926 135234000 /nfs/dbraw/zinc/23/40/00/135234000.db2.gz XDGHPEANWSXKFL-VHSXEESVSA-N 2 0 222.336 0.408 20 30 BCEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@H+](C)C1CC1 ZINC000262009585 135272137 /nfs/dbraw/zinc/27/21/37/135272137.db2.gz SWEBHCPRXQOXQD-JTQLQIEISA-N 2 0 226.368 0.948 20 30 BCEDRP C[C@H]1C[NH+]=C(NC[C@H](C2CC2)[NH+](C)C)N1 ZINC000262640434 135310125 /nfs/dbraw/zinc/31/01/25/135310125.db2.gz HPAMUWPXJUEFOC-WCBMZHEXSA-N 2 0 210.325 0.264 20 30 BCEDRP CC[N@H+](CCNC1=[NH+]CCN1C)C(C)C ZINC000262661844 135311624 /nfs/dbraw/zinc/31/16/24/135311624.db2.gz NDDCXQGOWYBQOD-UHFFFAOYSA-N 2 0 212.341 0.608 20 30 BCEDRP CC[N@H+](CCNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000262682490 135313199 /nfs/dbraw/zinc/31/31/99/135313199.db2.gz WUVRYLCUOTWTGY-JTQLQIEISA-N 2 0 212.341 0.654 20 30 BCEDRP CN1CC[NH+]=C1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000262682182 135313392 /nfs/dbraw/zinc/31/33/92/135313392.db2.gz WROPGKLNDDFJGZ-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP C=C[C@H](CO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000308982221 487604217 /nfs/dbraw/zinc/60/42/17/487604217.db2.gz IOEOTCWHBOMACT-CMPLNLGQSA-N 2 0 212.337 0.853 20 30 BCEDRP C=C[C@H](CO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000308982225 487604504 /nfs/dbraw/zinc/60/45/04/487604504.db2.gz IOEOTCWHBOMACT-ZYHUDNBSSA-N 2 0 212.337 0.853 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662423930 409708277 /nfs/dbraw/zinc/70/82/77/409708277.db2.gz PXCDHASGMPEBRL-YPMHNXCESA-N 2 0 239.363 0.784 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662423929 409709028 /nfs/dbraw/zinc/70/90/28/409709028.db2.gz PXCDHASGMPEBRL-WCQYABFASA-N 2 0 239.363 0.784 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400940773 411165617 /nfs/dbraw/zinc/16/56/17/411165617.db2.gz SLHRRPBFKPKABS-WUHRBBMRSA-N 2 0 224.348 0.901 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662392461 412143186 /nfs/dbraw/zinc/14/31/86/412143186.db2.gz CZJQCGCIEYZACI-GFCCVEGCSA-N 2 0 223.320 0.117 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662403242 412150679 /nfs/dbraw/zinc/15/06/79/412150679.db2.gz BZMXXMLYOLSJKS-CMPLNLGQSA-N 2 0 223.320 0.244 20 30 BCEDRP C=CC[C@]1(C(=O)NCC(C)(C)[NH3+])CCC[NH2+]1 ZINC000662422955 412162926 /nfs/dbraw/zinc/16/29/26/412162926.db2.gz BYGOKSFWBPQMAR-GFCCVEGCSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665275011 412219021 /nfs/dbraw/zinc/21/90/21/412219021.db2.gz ARXMVILDOLOWNM-IJLUTSLNSA-N 2 0 228.336 0.531 20 30 BCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665275013 412219837 /nfs/dbraw/zinc/21/98/37/412219837.db2.gz ARXMVILDOLOWNM-SDDRHHMPSA-N 2 0 228.336 0.531 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]([NH3+])CC)CCC[NH2+]1 ZINC000662781823 412300915 /nfs/dbraw/zinc/30/09/15/412300915.db2.gz HCMNLAKCRRFPEU-ZYHUDNBSSA-N 2 0 225.336 0.538 20 30 BCEDRP N#CCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600720442 487927968 /nfs/dbraw/zinc/92/79/68/487927968.db2.gz HCXAWTLXSCSKDF-LBPRGKRZSA-N 2 0 225.336 0.727 20 30 BCEDRP C=CCNC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487043 323020441 /nfs/dbraw/zinc/02/04/41/323020441.db2.gz VWWWXCXTQYAWKU-UTUOFQBUSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CCN1CC[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683892 323067073 /nfs/dbraw/zinc/06/70/73/323067073.db2.gz IKQVUMFYFOJHNX-UTUOFQBUSA-N 2 0 237.347 0.442 20 30 BCEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000563528309 323129169 /nfs/dbraw/zinc/12/91/69/323129169.db2.gz XDAFOOJRHKKANI-NWDGAFQWSA-N 2 0 239.363 0.609 20 30 BCEDRP COCC#CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000677818820 488134220 /nfs/dbraw/zinc/13/42/20/488134220.db2.gz WJZSMJBQAQLLDX-UHFFFAOYSA-N 2 0 224.348 0.910 20 30 BCEDRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])N2CCC2)C1 ZINC000263130304 536361923 /nfs/dbraw/zinc/36/19/23/536361923.db2.gz NAIQIAOWDRZTEH-NSHDSACASA-N 2 0 224.352 0.739 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262679380 535134712 /nfs/dbraw/zinc/13/47/12/535134712.db2.gz VLFMTWFCIQXAJU-NWDGAFQWSA-N 2 0 238.379 0.902 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]CCN1C ZINC000261534897 535542935 /nfs/dbraw/zinc/54/29/35/535542935.db2.gz NIDYJKBJAAZZQZ-SNVBAGLBSA-N 2 0 210.325 0.362 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066218 535550269 /nfs/dbraw/zinc/55/02/69/535550269.db2.gz OEKPPOGDSNGSLO-GHMZBOCLSA-N 2 0 236.363 0.928 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCF ZINC000262787085 535596465 /nfs/dbraw/zinc/59/64/65/535596465.db2.gz JVMKGDHGOAOEDV-VIFPVBQESA-N 2 0 216.304 0.345 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC1=[NH+]C[C@@H](C)N1 ZINC000262690292 535666913 /nfs/dbraw/zinc/66/69/13/535666913.db2.gz ZZVNJHRCUVIDKD-NXEZZACHSA-N 2 0 212.341 0.654 20 30 BCEDRP C[NH+](C)Cc1cccc(CNC(N)=[NH2+])c1 ZINC000264115679 536027879 /nfs/dbraw/zinc/02/78/79/536027879.db2.gz SPYUPZWAYCFMKM-UHFFFAOYSA-N 2 0 206.293 0.522 20 30 BCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000111994599 588778030 /nfs/dbraw/zinc/77/80/30/588778030.db2.gz IHYNQSUVLTXIRB-NSHDSACASA-N 2 0 224.352 0.928 20 30 BCEDRP C#CCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000112467106 588799216 /nfs/dbraw/zinc/79/92/16/588799216.db2.gz OTDSIIQDEZRVOU-UHFFFAOYSA-N 2 0 237.347 0.009 20 30 BCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852892980 583022420 /nfs/dbraw/zinc/02/24/20/583022420.db2.gz KNLCTTLYTSGEDK-QWRGUYRKSA-N 2 0 237.347 0.231 20 30 BCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880140890 583473137 /nfs/dbraw/zinc/47/31/37/583473137.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000899964258 584260111 /nfs/dbraw/zinc/26/01/11/584260111.db2.gz MPLIXKUWSHEJBU-UHFFFAOYSA-N 2 0 241.379 0.951 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N(C)CCC[NH+](C)C ZINC000901325966 584430535 /nfs/dbraw/zinc/43/05/35/584430535.db2.gz AZSPCTQCHKSBAL-UHFFFAOYSA-N 2 0 241.379 0.904 20 30 BCEDRP C=CC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747245 584794861 /nfs/dbraw/zinc/79/48/61/584794861.db2.gz QKZZBXTUHCQFDV-RYUDHWBXSA-N 2 0 210.321 0.873 20 30 BCEDRP N#C[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH3+])CC2)C1 ZINC000904374528 584874071 /nfs/dbraw/zinc/87/40/71/584874071.db2.gz SSFUBIIUASCTSF-WCQYABFASA-N 2 0 236.363 0.691 20 30 BCEDRP C[C@@H]1CNC(NN=C2CC[N@@H+]3CCC[C@H]23)=[NH+]1 ZINC000779792200 585763753 /nfs/dbraw/zinc/76/37/53/585763753.db2.gz QAFVCJHFEOQNBY-PSASIEDQSA-N 2 0 221.308 0.148 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000793835146 586027751 /nfs/dbraw/zinc/02/77/51/586027751.db2.gz NAFAWIXKFFGAEE-GFCCVEGCSA-N 2 0 241.379 0.949 20 30 BCEDRP CC(=NNC(N)=[NH2+])c1ccc(C[NH+](C)C)cc1 ZINC000814796930 586635002 /nfs/dbraw/zinc/63/50/02/586635002.db2.gz WWOBQEJEPAOIKN-UHFFFAOYSA-N 2 0 233.319 0.955 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816950400 586773992 /nfs/dbraw/zinc/77/39/92/586773992.db2.gz RHGICVHKELZZJK-NWDGAFQWSA-N 2 0 237.347 0.267 20 30 BCEDRP CN(C)c1ccncc1C=[NH+]N[C@@H]1CCC[C@H]1O ZINC000817335914 586796861 /nfs/dbraw/zinc/79/68/61/586796861.db2.gz RTFNYBVQERXPSU-DGCLKSJQSA-N 2 0 248.330 0.985 20 30 BCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000834484878 587756768 /nfs/dbraw/zinc/75/67/68/587756768.db2.gz OOCKCWZGAJURRK-MNOVXSKESA-N 2 0 238.335 0.123 20 30 BCEDRP C[NH+]=C(NC[C@@H](C)[NH+]1CCCC1)NC1CC1 ZINC000848986609 588425667 /nfs/dbraw/zinc/42/56/67/588425667.db2.gz LIYGTOGGSNCSBW-SNVBAGLBSA-N 2 0 224.352 0.798 20 30 BCEDRP C[NH+]=C(NCC[N@@H+]1CC[C@H](C)C1)NC1CC1 ZINC000849005042 588432188 /nfs/dbraw/zinc/43/21/88/588432188.db2.gz SENCNBCEFLBAKC-JTQLQIEISA-N 2 0 224.352 0.656 20 30 BCEDRP CNC(NCCC[N@@H+]1CCCO[C@H](C)C1)=[NH+]C ZINC000849022561 588439158 /nfs/dbraw/zinc/43/91/58/588439158.db2.gz JHLUCHGJRTULSN-LLVKDONJSA-N 2 0 242.367 0.282 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC(NC)=[NH+]C ZINC000849027669 588441476 /nfs/dbraw/zinc/44/14/76/588441476.db2.gz CMGKBDNXZJOQRZ-JTQLQIEISA-N 2 0 212.341 0.656 20 30 BCEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)C[NH+](C)C ZINC000849030679 588442738 /nfs/dbraw/zinc/44/27/38/588442738.db2.gz RVVCLQFPQFLWRQ-SNVBAGLBSA-N 2 0 214.357 0.663 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCCC[N@H+](C)C2CC2)N1 ZINC000849039721 588447132 /nfs/dbraw/zinc/44/71/32/588447132.db2.gz PBUWLUKUDYWMIX-JTQLQIEISA-N 2 0 224.352 0.798 20 30 BCEDRP CC(C)C[N@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000849047300 588450523 /nfs/dbraw/zinc/45/05/23/588450523.db2.gz UKZQDXMFQBAULX-NSHDSACASA-N 2 0 226.368 0.902 20 30 BCEDRP C#CCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852078246 588660386 /nfs/dbraw/zinc/66/03/86/588660386.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 2 0 222.332 0.664 20 30 BCEDRP C#CCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852706781 588697008 /nfs/dbraw/zinc/69/70/08/588697008.db2.gz AGBQBYCBQUJEKT-CQSZACIVSA-N 2 0 236.359 0.931 20 30 BCEDRP [NH3+]C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852793442 588703107 /nfs/dbraw/zinc/70/31/07/588703107.db2.gz AUXBESPSRSDCDC-CYBMUJFWSA-N 2 0 249.358 0.187 20 30 BCEDRP C[NH2+][C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852794388 588703144 /nfs/dbraw/zinc/70/31/44/588703144.db2.gz QFDVYMHGYZHOLK-ZDUSSCGKSA-N 2 0 249.358 0.200 20 30 BCEDRP CC1(C)C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852798527 588703728 /nfs/dbraw/zinc/70/37/28/588703728.db2.gz KWWLIRLYBZCWPV-UHFFFAOYSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852799009 588703989 /nfs/dbraw/zinc/70/39/89/588703989.db2.gz PSISFSIECAPLBW-YPMHNXCESA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852875213 588710100 /nfs/dbraw/zinc/71/01/00/588710100.db2.gz SYPWVODDUXXURW-DGCLKSJQSA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@H]1[NH2+]CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C ZINC000852878049 588710437 /nfs/dbraw/zinc/71/04/37/588710437.db2.gz GJHJEONJCUOALV-NEPJUHHUSA-N 2 0 249.358 0.198 20 30 BCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000852889450 588711548 /nfs/dbraw/zinc/71/15/48/588711548.db2.gz DEXHDHWCZTWYAE-CYBMUJFWSA-N 2 0 249.358 0.185 20 30 BCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000852889451 588711651 /nfs/dbraw/zinc/71/16/51/588711651.db2.gz DEXHDHWCZTWYAE-ZDUSSCGKSA-N 2 0 249.358 0.185 20 30 BCEDRP Cc1cnccc1NNC1=CC(=O)N2CCC[C@H]12 ZINC000863158221 589263709 /nfs/dbraw/zinc/26/37/09/589263709.db2.gz RMYXSDCRSTYDFB-GFCCVEGCSA-N 2 0 244.298 0.975 20 30 BCEDRP CNC(NC[C@H]1c2ccccc2CN1C)=[NH+]C ZINC000864358095 589355442 /nfs/dbraw/zinc/35/54/42/589355442.db2.gz ISCVGXMQVGLOKN-LBPRGKRZSA-N 2 0 232.331 0.968 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864465811 589370751 /nfs/dbraw/zinc/37/07/51/589370751.db2.gz BUPUEVYVXJFCID-WDEREUQCSA-N 2 0 222.336 0.464 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500984 590202773 /nfs/dbraw/zinc/20/27/73/590202773.db2.gz LNSOXBQRNAJILI-BDAKNGLRSA-N 2 0 231.727 0.406 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514926 590206388 /nfs/dbraw/zinc/20/63/88/590206388.db2.gz VMPDNNHPNRGOHN-UWVGGRQHSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000876517933 590206961 /nfs/dbraw/zinc/20/69/61/590206961.db2.gz HHAFOEOWXMOYQT-NXEZZACHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000876529321 590209687 /nfs/dbraw/zinc/20/96/87/590209687.db2.gz GCEUFISJHRKPER-DTWKUNHWSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000876532066 590210428 /nfs/dbraw/zinc/21/04/28/590210428.db2.gz AWZOAGYYBVOLIZ-HGNGGELXSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000876532070 590210450 /nfs/dbraw/zinc/21/04/50/590210450.db2.gz AWZOAGYYBVOLIZ-QNSHHTMESA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC[NH3+] ZINC000876535898 590211159 /nfs/dbraw/zinc/21/11/59/590211159.db2.gz SMEYTVVDBWCMLP-MRVPVSSYSA-N 2 0 219.716 0.264 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541919 590212506 /nfs/dbraw/zinc/21/25/06/590212506.db2.gz MGBQTYJSIZVEPT-VIFPVBQESA-N 2 0 247.770 0.900 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000876728225 590233261 /nfs/dbraw/zinc/23/32/61/590233261.db2.gz YRNNGFBIBUVPAA-NXEZZACHSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000876728226 590233337 /nfs/dbraw/zinc/23/33/37/590233337.db2.gz YRNNGFBIBUVPAA-UWVGGRQHSA-N 2 0 245.754 0.524 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000876733457 590233961 /nfs/dbraw/zinc/23/39/61/590233961.db2.gz YIASFFHFKNLRNZ-NXEZZACHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000876913753 590256345 /nfs/dbraw/zinc/25/63/45/590256345.db2.gz KNYQQOVGRVLONP-VHSXEESVSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000876953123 590259919 /nfs/dbraw/zinc/25/99/19/590259919.db2.gz YQSIRJQGJCERED-UTLUCORTSA-N 2 0 245.754 0.795 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000877244175 590302938 /nfs/dbraw/zinc/30/29/38/590302938.db2.gz VWCGLDXCJCKTEO-GVXVVHGQSA-N 2 0 237.347 0.538 20 30 BCEDRP C=C(C)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878382438 590556589 /nfs/dbraw/zinc/55/65/89/590556589.db2.gz CAAGTVANTXZGIF-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364287 591916395 /nfs/dbraw/zinc/91/63/95/591916395.db2.gz PQBYLVQDORPZAM-CIUDSAMLSA-N 2 0 245.754 0.698 20 30 BCEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000884613538 591994757 /nfs/dbraw/zinc/99/47/57/591994757.db2.gz OVKBLRNANOXQJM-LLVKDONJSA-N 2 0 245.330 0.877 20 30 BCEDRP C(#CC[N@@H+]1C[C@@H]2C[C@@H]2C1)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886346247 592212947 /nfs/dbraw/zinc/21/29/47/592212947.db2.gz DVYSSXOSXXBVFL-KPWCQOOUSA-N 2 0 216.328 0.893 20 30 BCEDRP C#CCN1CCC[C@@H](NC(NCC)=[NH+]CC)C1 ZINC000887324203 592481057 /nfs/dbraw/zinc/48/10/57/592481057.db2.gz VIVQGAHOPVYBLP-GFCCVEGCSA-N 2 0 236.363 0.659 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+](C)C1CC1 ZINC000104192931 592604790 /nfs/dbraw/zinc/60/47/90/592604790.db2.gz SOYAKQDPLFKRLH-JTQLQIEISA-N 2 0 240.351 0.116 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022102901 631351381 /nfs/dbraw/zinc/35/13/81/631351381.db2.gz BJBPSWLYMOSDRR-FVCCEPFGSA-N 2 0 249.358 0.197 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022291374 631462989 /nfs/dbraw/zinc/46/29/89/631462989.db2.gz YLZVOZKSKGDYEJ-FRRDWIJNSA-N 2 0 249.358 0.341 20 30 BCEDRP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933736579 631498540 /nfs/dbraw/zinc/49/85/40/631498540.db2.gz XADMJTWLESFFKR-AGIUHOORSA-N 2 0 224.348 0.807 20 30 BCEDRP CNC(NC[C@H]1CCC[N@@H+](C(C)C)C1)=[NH+]C ZINC000161527346 632071121 /nfs/dbraw/zinc/07/11/21/632071121.db2.gz DUWOZIBDAWMLGW-LLVKDONJSA-N 2 0 226.368 0.902 20 30 BCEDRP CCNC(NCC[NH+](CC)CC)=[NH+]CC ZINC000161473277 632768160 /nfs/dbraw/zinc/76/81/60/632768160.db2.gz NFPKAKPXZZFUDJ-UHFFFAOYSA-N 2 0 214.357 0.903 20 30 BCEDRP C#CCSCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000231947141 636058678 /nfs/dbraw/zinc/05/86/78/636058678.db2.gz PAHLNWININMXEF-LBPRGKRZSA-N 2 0 242.388 0.399 20 30 BCEDRP N#CCN1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925608600 634144699 /nfs/dbraw/zinc/14/46/99/634144699.db2.gz FZHMGWMIKNSOKC-QWHCGFSZSA-N 2 0 248.374 0.834 20 30 BCEDRP C[NH+](C)CCCCCCCNC(N)=[NH2+] ZINC000303265577 636304964 /nfs/dbraw/zinc/30/49/64/636304964.db2.gz UZWBKSMYJKORPW-UHFFFAOYSA-N 2 0 200.330 0.772 20 30 BCEDRP C=C(C)C[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905097011 637634600 /nfs/dbraw/zinc/63/46/00/637634600.db2.gz NTGZPDZZLFOCJG-UHFFFAOYSA-N 2 0 227.308 0.893 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624265 639685127 /nfs/dbraw/zinc/68/51/27/639685127.db2.gz QTCQALHFONCUNK-QWRGUYRKSA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692803 639727886 /nfs/dbraw/zinc/72/78/86/639727886.db2.gz XKCIQVFSTOKRIY-LBPRGKRZSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911697472 639733558 /nfs/dbraw/zinc/73/35/58/639733558.db2.gz CAFIICCSFYXJEV-ZJUUUORDSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713971 639739885 /nfs/dbraw/zinc/73/98/85/639739885.db2.gz NBVCXZXSSLONHK-RYUDHWBXSA-N 2 0 239.363 0.928 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739136 639764720 /nfs/dbraw/zinc/76/47/20/639764720.db2.gz QNPWRUQBSPHXFJ-QWRGUYRKSA-N 2 0 225.336 0.477 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739137 639765231 /nfs/dbraw/zinc/76/52/31/639765231.db2.gz QNPWRUQBSPHXFJ-WDEREUQCSA-N 2 0 225.336 0.477 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751440 639777679 /nfs/dbraw/zinc/77/76/79/639777679.db2.gz JTRZRILEEXZKJI-QWRGUYRKSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911775324 639796441 /nfs/dbraw/zinc/79/64/41/639796441.db2.gz RHIHWIYQNFIQPW-NWDGAFQWSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911761751 639801352 /nfs/dbraw/zinc/80/13/52/639801352.db2.gz GSNDKFMOJBOFSC-SECBINFHSA-N 2 0 213.325 0.524 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802355 639824368 /nfs/dbraw/zinc/82/43/68/639824368.db2.gz JECCBAGPXGJFPX-YPMHNXCESA-N 2 0 239.363 0.914 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911812729 639833970 /nfs/dbraw/zinc/83/39/70/639833970.db2.gz VEJIICFWWHQQLZ-QWRGUYRKSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911812728 639834527 /nfs/dbraw/zinc/83/45/27/639834527.db2.gz VEJIICFWWHQQLZ-MNOVXSKESA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH2+]CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911855384 639860584 /nfs/dbraw/zinc/86/05/84/639860584.db2.gz JKHGUMYIYHEVPI-NSHDSACASA-N 2 0 245.326 0.545 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912910914 640237500 /nfs/dbraw/zinc/23/75/00/640237500.db2.gz VJUCFMKFBGWLDX-LBPRGKRZSA-N 2 0 237.347 0.411 20 30 BCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N(C)C ZINC000170913332 640938134 /nfs/dbraw/zinc/93/81/34/640938134.db2.gz DTXIMAPQCFCIAQ-JTQLQIEISA-N 2 0 212.341 0.737 20 30 BCEDRP CC1CC[NH+](CCNC(=[NH2+])N(C)C)CC1 ZINC000170913316 640938401 /nfs/dbraw/zinc/93/84/01/640938401.db2.gz XFADMRWZZUTXFA-UHFFFAOYSA-N 2 0 212.341 0.595 20 30 BCEDRP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000171145405 640958926 /nfs/dbraw/zinc/95/89/26/640958926.db2.gz WRGYLAOSGASVNI-JTQLQIEISA-N 2 0 212.341 0.785 20 30 BCEDRP C=C(Cl)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179890 641144708 /nfs/dbraw/zinc/14/47/08/641144708.db2.gz HMUICSVMCHRAQM-JTQLQIEISA-N 2 0 245.754 0.526 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636620 641438928 /nfs/dbraw/zinc/43/89/28/641438928.db2.gz NLSJFDYUYWPVGB-UHFFFAOYSA-N 2 0 237.347 0.459 20 30 BCEDRP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000181464794 642875240 /nfs/dbraw/zinc/87/52/40/642875240.db2.gz ZWXOUTSUYNTOCQ-SNVBAGLBSA-N 2 0 236.363 0.880 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932968 643341540 /nfs/dbraw/zinc/34/15/40/643341540.db2.gz ZWQCZGAXGXRZNA-HAQNSBGRSA-N 2 0 249.358 0.505 20 30 BCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999834862 643740745 /nfs/dbraw/zinc/74/07/45/643740745.db2.gz YPMFLEFBIWFVSS-UHFFFAOYSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999831799 643741141 /nfs/dbraw/zinc/74/11/41/643741141.db2.gz LVCOZTJNNOXJFN-PNESKVBLSA-N 2 0 249.358 0.150 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193311858 644232590 /nfs/dbraw/zinc/23/25/90/644232590.db2.gz YCLLXFRHXQFLDC-NSHDSACASA-N 2 0 239.363 0.880 20 30 BCEDRP CCC[N@H+](CC)CCNC(=[NH2+])N(C)C ZINC000083052939 644398839 /nfs/dbraw/zinc/39/88/39/644398839.db2.gz GQQPQSQBEQTJIA-UHFFFAOYSA-N 2 0 200.330 0.595 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923426768 644421594 /nfs/dbraw/zinc/42/15/94/644421594.db2.gz QLMFMTDMMQKFQM-YNEHKIRRSA-N 2 0 224.348 0.855 20 30 BCEDRP C=CCC[C@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474894 644454628 /nfs/dbraw/zinc/45/46/28/644454628.db2.gz WWFGKWRZTZWCRE-RYUDHWBXSA-N 2 0 228.336 0.099 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482394 644459002 /nfs/dbraw/zinc/45/90/02/644459002.db2.gz ZKTNZYLYQJPXBF-NEPJUHHUSA-N 2 0 237.347 0.444 20 30 BCEDRP CC(C)CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303872629 644853203 /nfs/dbraw/zinc/85/32/03/644853203.db2.gz GMIBOQZLIAGZII-NSHDSACASA-N 2 0 226.368 0.887 20 30 BCEDRP CC(C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303896732 644855989 /nfs/dbraw/zinc/85/59/89/644855989.db2.gz UTEOGEWMWJVTAY-JTQLQIEISA-N 2 0 212.341 0.639 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303896063 644856727 /nfs/dbraw/zinc/85/67/27/644856727.db2.gz UDWVNWMWCBMFKT-ONGXEEELSA-N 2 0 242.367 0.266 20 30 BCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000303977057 644862354 /nfs/dbraw/zinc/86/23/54/644862354.db2.gz KUHKERTXXQPZPP-NSHDSACASA-N 2 0 242.367 0.410 20 30 BCEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303984548 644862666 /nfs/dbraw/zinc/86/26/66/644862666.db2.gz SERFTEXRWCTMII-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP CNC(NCC[N@H+](C)C1CCCC1)=[NH+]C ZINC000303990988 644863139 /nfs/dbraw/zinc/86/31/39/644863139.db2.gz LNAQCVJGJZGCGT-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000304064704 644867836 /nfs/dbraw/zinc/86/78/36/644867836.db2.gz SMQGKKVITRSSMU-LLVKDONJSA-N 2 0 242.367 0.412 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304746066 644927870 /nfs/dbraw/zinc/92/78/70/644927870.db2.gz FNLILGGYGVMUCF-VIFPVBQESA-N 2 0 230.356 0.314 20 30 BCEDRP CN(C)C(=[NH+]CC[NH2+]C(C)(C)C)N(C)C ZINC000304745514 644928029 /nfs/dbraw/zinc/92/80/29/644928029.db2.gz FEGVGQKQXWKRMG-UHFFFAOYSA-N 2 0 214.357 0.854 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304754204 644931422 /nfs/dbraw/zinc/93/14/22/644931422.db2.gz LSQYWGUYZJLRRX-QWRGUYRKSA-N 2 0 242.367 0.267 20 30 BCEDRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609056 646357595 /nfs/dbraw/zinc/35/75/95/646357595.db2.gz OAMXPHSHOKNOGO-LBPRGKRZSA-N 2 0 236.363 0.704 20 30 BCEDRP CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390600 /nfs/dbraw/zinc/39/06/00/646390600.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 2 0 239.363 0.923 20 30 BCEDRP C=C(C)C[C@@H](CO)[NH2+][C@@H](CCC[NH3+])COC ZINC000925771106 646470855 /nfs/dbraw/zinc/47/08/55/646470855.db2.gz MPDJSYONKLKUML-RYUDHWBXSA-N 2 0 230.352 0.657 20 30 BCEDRP CC[NH+](CC)CCCNC1=[NH+]CCN1C ZINC000393729796 711676803 /nfs/dbraw/zinc/67/68/03/711676803.db2.gz MYKKBNUYMXEJFT-UHFFFAOYSA-N 2 0 212.341 0.609 20 30 BCEDRP CNC(NC[C@@H]1CCCC[N@H+](C)C1)=[NH+]C ZINC000700814009 712006397 /nfs/dbraw/zinc/00/63/97/712006397.db2.gz SSNXLVFYMAWEIP-JTQLQIEISA-N 2 0 212.341 0.513 20 30 BCEDRP C=CCNC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710749142 712255601 /nfs/dbraw/zinc/25/56/01/712255601.db2.gz GQVZGAZNTZOICJ-UHFFFAOYSA-N 2 0 227.352 0.740 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 ZINC000876795369 712629544 /nfs/dbraw/zinc/62/95/44/712629544.db2.gz OCFGHZGDJVTQHB-MRVPVSSYSA-N 2 0 231.727 0.454 20 30 BCEDRP CC(C)[N@H+](C)CCCNC1=[NH+]CCN1C ZINC000379921515 712627422 /nfs/dbraw/zinc/62/74/22/712627422.db2.gz RWBMHLHKLJGDQQ-UHFFFAOYSA-N 2 0 212.341 0.608 20 30 BCEDRP C#CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000717841876 712691955 /nfs/dbraw/zinc/69/19/55/712691955.db2.gz XGDWIUYPPZRWIR-WODVXLOZSA-N 2 0 222.332 0.585 20 30 BCEDRP C#CCN(C)CCC[NH2+]Cc1ccnn1C ZINC000392778029 711151719 /nfs/dbraw/zinc/15/17/19/711151719.db2.gz OBLXVHVZRFSXBF-UHFFFAOYSA-N 2 0 220.320 0.465 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCC(C)CC1 ZINC000170912005 711837871 /nfs/dbraw/zinc/83/78/71/711837871.db2.gz IGBOOFBQVVQOKY-LLVKDONJSA-N 2 0 226.368 0.983 20 30 BCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033705401 712014423 /nfs/dbraw/zinc/01/44/23/712014423.db2.gz GRVXINWHQKHBPY-LBPRGKRZSA-N 2 0 248.330 0.602 20 30 BCEDRP C=CC[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000715003922 712503855 /nfs/dbraw/zinc/50/38/55/712503855.db2.gz XYXSUNXCNZNLKD-LLVKDONJSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000715058410 712505218 /nfs/dbraw/zinc/50/52/18/712505218.db2.gz POLDBPVZQPCGDE-LBPRGKRZSA-N 2 0 211.353 0.788 20 30 BCEDRP C#CC[C@@H](CO)[NH2+]CC1CC[NH+](C)CC1 ZINC000717794709 712678200 /nfs/dbraw/zinc/67/82/00/712678200.db2.gz PPOBYVHEIYZSEW-LBPRGKRZSA-N 2 0 210.321 0.302 20 30 BCEDRP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](C)C ZINC000602099780 349440571 /nfs/dbraw/zinc/44/05/71/349440571.db2.gz ZQUAQQJVQFEAHR-SNVBAGLBSA-N 2 0 238.335 0.041 20 30 BCEDRP C=CC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638927017 398204811 /nfs/dbraw/zinc/20/48/11/398204811.db2.gz QXHZHBKWBPKWSU-MBNYWOFBSA-N 2 0 249.358 0.648 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@H](C[NH2+]C)C1 ZINC000040601394 136222411 /nfs/dbraw/zinc/22/24/11/136222411.db2.gz NKYNCBNACWRRLN-VXGBXAGGSA-N 2 0 239.363 0.609 20 30 BCEDRP C[C@H](CCC#N)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000602555760 349597142 /nfs/dbraw/zinc/59/71/42/349597142.db2.gz OWEWJQTUWXGOKX-GFCCVEGCSA-N 2 0 239.363 0.973 20 30 BCEDRP CN1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721263 344363045 /nfs/dbraw/zinc/36/30/45/344363045.db2.gz KPKPKZGJUHISJS-VXGBXAGGSA-N 2 0 237.347 0.725 20 30 BCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729272 344364086 /nfs/dbraw/zinc/36/40/86/344364086.db2.gz XDQADCHSBMDWJD-RYUDHWBXSA-N 2 0 239.363 0.971 20 30 BCEDRP C=CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383878388 349927499 /nfs/dbraw/zinc/92/74/99/349927499.db2.gz QZUSPWBXXUHAFY-TXEJJXNPSA-N 2 0 237.347 0.220 20 30 BCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000070188109 349965342 /nfs/dbraw/zinc/96/53/42/349965342.db2.gz BCNSBUOIXJYYKS-LLVKDONJSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336760259 347260359 /nfs/dbraw/zinc/26/03/59/347260359.db2.gz MCJQESIHSLUBKM-SRVKXCTJSA-N 2 0 212.337 0.711 20 30 BCEDRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427964 348044707 /nfs/dbraw/zinc/04/47/07/348044707.db2.gz YPDHJUKVNVFYKZ-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP CC(C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426645 348053199 /nfs/dbraw/zinc/05/31/99/348053199.db2.gz QGDZYIOSBBOSPD-SECBINFHSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438227 348054209 /nfs/dbraw/zinc/05/42/09/348054209.db2.gz HWVKUVIAZXZURE-ZJUUUORDSA-N 2 0 226.324 0.109 20 30 BCEDRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444412 348055503 /nfs/dbraw/zinc/05/55/03/348055503.db2.gz RMPJDKISRZYBLZ-UWVGGRQHSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000595936347 348408809 /nfs/dbraw/zinc/40/88/09/348408809.db2.gz BHCHNDYZIUUCEP-WDEREUQCSA-N 2 0 240.351 0.464 20 30 BCEDRP CN(CC[NH3+])CCc1ccc(C#N)cc1 ZINC000595890527 348390230 /nfs/dbraw/zinc/39/02/30/348390230.db2.gz DTAXUVKYRZYLER-UHFFFAOYSA-N 2 0 203.289 0.991 20 30 BCEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@@H](O)C[NH3+] ZINC000595892662 348391004 /nfs/dbraw/zinc/39/10/04/348391004.db2.gz OAGIHNBUSVSREO-ZDUSSCGKSA-N 2 0 233.315 0.352 20 30 BCEDRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])CCCC#N ZINC000595934227 348394025 /nfs/dbraw/zinc/39/40/25/348394025.db2.gz LGWKYRYICZIBOT-SECBINFHSA-N 2 0 226.324 0.203 20 30 BCEDRP C=CCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531360470 348423564 /nfs/dbraw/zinc/42/35/64/348423564.db2.gz LAZJVQQIZRHFTL-UHFFFAOYSA-N 2 0 241.379 0.904 20 30 BCEDRP N#CCSCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308910649 349058660 /nfs/dbraw/zinc/05/86/60/349058660.db2.gz VEXUSVJFPWDZQF-GHMZBOCLSA-N 2 0 225.361 0.784 20 30 BCEDRP Cc1nccn1CCCNC1=[NH+]C[C@@H](C)N1 ZINC000284921467 352010543 /nfs/dbraw/zinc/01/05/43/352010543.db2.gz BYMPJHROBRVGLB-SECBINFHSA-N 2 0 221.308 0.519 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070190020 353255292 /nfs/dbraw/zinc/25/52/92/353255292.db2.gz VZVPVNBGTMSMLI-UHFFFAOYSA-N 2 0 239.363 0.610 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192111201 353542440 /nfs/dbraw/zinc/54/24/40/353542440.db2.gz DYGFJEVTXSWUFO-MNOVXSKESA-N 2 0 239.363 0.736 20 30 BCEDRP C=CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040613 354106197 /nfs/dbraw/zinc/10/61/97/354106197.db2.gz VQRBAKNSWXXBRB-UHFFFAOYSA-N 2 0 213.369 0.988 20 30 BCEDRP C=C(C)[C@H](CO)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767409 356696584 /nfs/dbraw/zinc/69/65/84/356696584.db2.gz QYZDYHGDUWILIG-STQMWFEESA-N 2 0 242.363 0.312 20 30 BCEDRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000580443123 359551636 /nfs/dbraw/zinc/55/16/36/359551636.db2.gz JJJWMJUNAANKRS-LLVKDONJSA-N 2 0 240.351 0.512 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000424079660 200857531 /nfs/dbraw/zinc/85/75/31/200857531.db2.gz RMKJWYLNJDAHNR-OUAUKWLOSA-N 2 0 238.335 0.251 20 30 BCEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059610 201309357 /nfs/dbraw/zinc/30/93/57/201309357.db2.gz BOSUIQUJNBXNHK-GFCCVEGCSA-N 2 0 239.363 0.882 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC(C)C ZINC000382027050 367480002 /nfs/dbraw/zinc/48/00/02/367480002.db2.gz SIYFFAKSJQQMNC-UHFFFAOYSA-N 2 0 224.352 0.711 20 30 BCEDRP C#CC[NH+](C)CCCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000382047694 367481455 /nfs/dbraw/zinc/48/14/55/367481455.db2.gz CKEBEVRSELNVCA-CHWSQXEVSA-N 2 0 223.364 0.481 20 30 BCEDRP C#CCNC(NC[C@@H]1CCC[N@@H+]1CC)=[NH+]CC ZINC000073675569 368813265 /nfs/dbraw/zinc/81/32/65/368813265.db2.gz WCTNVJHFZVUZSC-LBPRGKRZSA-N 2 0 236.363 0.659 20 30 BCEDRP CN1CCN(Cc2ccc(C#N)o2)[C@@H](C[NH3+])C1 ZINC000600769886 369563972 /nfs/dbraw/zinc/56/39/72/369563972.db2.gz UIKUGSMBEJLLRA-JTQLQIEISA-N 2 0 234.303 0.226 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000424200937 206034842 /nfs/dbraw/zinc/03/48/42/206034842.db2.gz RPISUZUPXZWIMV-QWRGUYRKSA-N 2 0 238.335 0.203 20 30 BCEDRP C#CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000267425496 532999605 /nfs/dbraw/zinc/99/96/05/532999605.db2.gz LIKCGXKLTXFAEF-LLVKDONJSA-N 2 0 222.336 0.398 20 30 BCEDRP C[NH+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170905078 385454198 /nfs/dbraw/zinc/45/41/98/385454198.db2.gz UVUNNOOUQXSPFW-UHFFFAOYSA-N 2 0 221.308 0.760 20 30 BCEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CNCCN1C ZINC000414978570 386033487 /nfs/dbraw/zinc/03/34/87/386033487.db2.gz RYJZWIBROMKPMC-RYUDHWBXSA-N 2 0 211.353 0.834 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414891262 386138625 /nfs/dbraw/zinc/13/86/25/386138625.db2.gz WJMHMWPAJNFHTJ-GFCCVEGCSA-N 2 0 211.353 0.836 20 30 BCEDRP C[NH+](C)C[C@@](C)(O)CNCc1ccc(C#N)cc1 ZINC000228724272 386606109 /nfs/dbraw/zinc/60/61/09/386606109.db2.gz ULEUNSFZKCTLJH-AWEZNQCLSA-N 2 0 247.342 0.960 20 30 BCEDRP C=C(CC)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000313487466 387389442 /nfs/dbraw/zinc/38/94/42/387389442.db2.gz DQIAOYRNVROEPF-GFCCVEGCSA-N 2 0 212.337 0.999 20 30 BCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424080064 387479719 /nfs/dbraw/zinc/47/97/19/387479719.db2.gz SCOVIZCVHBYEIZ-ZYHUDNBSSA-N 2 0 240.351 0.497 20 30 BCEDRP C[C@@](C[NH3+])(NC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424086037 387486299 /nfs/dbraw/zinc/48/62/99/387486299.db2.gz ZWDQNCYJGKFWHN-JQWIXIFHSA-N 2 0 238.335 0.251 20 30 BCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143804 387748141 /nfs/dbraw/zinc/74/81/41/387748141.db2.gz GGNJUXNBDODNBN-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424152572 387799485 /nfs/dbraw/zinc/79/94/85/387799485.db2.gz INKWNXIAJGKYOV-QWRGUYRKSA-N 2 0 240.351 0.464 20 30 BCEDRP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193631785 387859772 /nfs/dbraw/zinc/85/97/72/387859772.db2.gz HWGZLOJENOTKDB-FRRDWIJNSA-N 2 0 224.348 0.807 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424154230 387815998 /nfs/dbraw/zinc/81/59/98/387815998.db2.gz JHILJWKEXQULAP-GMTAPVOTSA-N 2 0 238.335 0.122 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCC=C ZINC000491651852 388308005 /nfs/dbraw/zinc/30/80/05/388308005.db2.gz JPSMUMFYOWFFIE-UHFFFAOYSA-N 2 0 208.309 0.241 20 30 BCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491676600 388310130 /nfs/dbraw/zinc/31/01/30/388310130.db2.gz OTIXKDOHEAQWCW-GFCCVEGCSA-N 2 0 249.358 0.200 20 30 BCEDRP C#C[C@@H](CC)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262546614 533236154 /nfs/dbraw/zinc/23/61/54/533236154.db2.gz STOTUXZIRRWNMM-NWDGAFQWSA-N 2 0 236.363 0.787 20 30 BCEDRP CC#CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262027750 135114566 /nfs/dbraw/zinc/11/45/66/135114566.db2.gz NSIXKSKLMDPWJK-LLVKDONJSA-N 2 0 222.336 0.398 20 30 BCEDRP C[NH+]=C(NCCn1ccnc1)NCC1CC1 ZINC000262838176 135122950 /nfs/dbraw/zinc/12/29/50/135122950.db2.gz RVGQIMSKNMEIBD-UHFFFAOYSA-N 2 0 221.308 0.458 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1 ZINC000261531940 135161500 /nfs/dbraw/zinc/16/15/00/135161500.db2.gz ILMBLVQBNNXDPT-SECBINFHSA-N 2 0 212.341 0.512 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[N@H+](C)C2CCCC2)N1 ZINC000261581396 135222350 /nfs/dbraw/zinc/22/23/50/135222350.db2.gz NOFIEKSRNFRTDY-JTQLQIEISA-N 2 0 224.352 0.798 20 30 BCEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@@H+](C3CC3)C2)N1 ZINC000261593925 135234505 /nfs/dbraw/zinc/23/45/05/135234505.db2.gz XDGHPEANWSXKFL-UWVGGRQHSA-N 2 0 222.336 0.408 20 30 BCEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000261968066 135266751 /nfs/dbraw/zinc/26/67/51/135266751.db2.gz BZXRAJVPKKJRPU-NSHDSACASA-N 2 0 238.379 0.950 20 30 BCEDRP CN(C)C(=[NH+]CCN1CCSCC1)N(C)C ZINC000262513784 135303476 /nfs/dbraw/zinc/30/34/76/135303476.db2.gz FICWFFOYXZMLOL-UHFFFAOYSA-N 2 0 244.408 0.514 20 30 BCEDRP CN1CC[NH+]=C1NCC(C)(C)C[NH+]1CCCC1 ZINC000262636442 135309962 /nfs/dbraw/zinc/30/99/62/135309962.db2.gz GYYHVBZFYVRVEJ-UHFFFAOYSA-N 2 0 238.379 0.999 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCCNc2cc[nH+]cc2)N1 ZINC000262637368 135310193 /nfs/dbraw/zinc/31/01/93/135310193.db2.gz HBOPNDPSSDSAPP-SECBINFHSA-N 2 0 219.292 0.431 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCC[C@@H](C)C2)N1 ZINC000262646797 135311489 /nfs/dbraw/zinc/31/14/89/135311489.db2.gz JJYXLNXFMYDCHL-GHMZBOCLSA-N 2 0 224.352 0.656 20 30 BCEDRP CCC[N@@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262679067 135312946 /nfs/dbraw/zinc/31/29/46/135312946.db2.gz VHLDOZLDOAWPHF-NSHDSACASA-N 2 0 224.352 0.609 20 30 BCEDRP CCC[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676442 135313154 /nfs/dbraw/zinc/31/31/54/135313154.db2.gz UBIDUZKDUJTUPI-QWRGUYRKSA-N 2 0 224.352 0.656 20 30 BCEDRP C[NH+]=C(NCC1([NH+](C)C)CCC1)NC1CC1 ZINC000262811040 135318719 /nfs/dbraw/zinc/31/87/19/135318719.db2.gz ULLWZXRLDZHQAK-UHFFFAOYSA-N 2 0 224.352 0.798 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC000491508167 398045465 /nfs/dbraw/zinc/04/54/65/398045465.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 2 0 237.347 0.152 20 30 BCEDRP C#CC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000491766076 398066194 /nfs/dbraw/zinc/06/61/94/398066194.db2.gz DVSFLWBLOORLIT-UHFFFAOYSA-N 2 0 223.364 0.625 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CCC[NH2+]1 ZINC000662423928 409709751 /nfs/dbraw/zinc/70/97/51/409709751.db2.gz PXCDHASGMPEBRL-DGCLKSJQSA-N 2 0 239.363 0.784 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CCC([NH3+])CC1 ZINC000036754052 166382814 /nfs/dbraw/zinc/38/28/14/166382814.db2.gz OEPFUSAOSXRKGO-SECBINFHSA-N 2 0 211.309 0.100 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400940777 411165618 /nfs/dbraw/zinc/16/56/18/411165618.db2.gz SLHRRPBFKPKABS-YVECIDJPSA-N 2 0 224.348 0.901 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC[NH2+]1 ZINC000662763454 412293766 /nfs/dbraw/zinc/29/37/66/412293766.db2.gz CAVIQTKFAWOZGV-DGCLKSJQSA-N 2 0 237.347 0.538 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@H](C)CC[NH3+])CCC[NH2+]1 ZINC000662763780 412294122 /nfs/dbraw/zinc/29/41/22/412294122.db2.gz JHCVVULXKRQNOH-ZYHUDNBSSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662773658 412298396 /nfs/dbraw/zinc/29/83/96/412298396.db2.gz JCYCKSTVLQKFAJ-ONGXEEELSA-N 2 0 211.309 0.148 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CCC[NH2+]1 ZINC000662776915 412298970 /nfs/dbraw/zinc/29/89/70/412298970.db2.gz ASEMWVRWEUURDP-GMXVVIOVSA-N 2 0 237.347 0.633 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H](CC)[NH+]1CCCC1 ZINC000066245278 534520651 /nfs/dbraw/zinc/52/06/51/534520651.db2.gz WYXXOBQJXCWWIF-NSHDSACASA-N 2 0 224.352 0.951 20 30 BCEDRP CC[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262666613 535476156 /nfs/dbraw/zinc/47/61/56/535476156.db2.gz PAWWDHAYRYBBGQ-LLVKDONJSA-N 2 0 224.352 0.752 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000261531921 535543377 /nfs/dbraw/zinc/54/33/77/535543377.db2.gz IKINYZBCOZMAIR-NXEZZACHSA-N 2 0 210.325 0.408 20 30 BCEDRP C[NH+](C)Cc1ccc(CNC(N)=[NH2+])cc1F ZINC000305689470 536002081 /nfs/dbraw/zinc/00/20/81/536002081.db2.gz PUAOSEAIKOKRHQ-UHFFFAOYSA-N 2 0 224.283 0.661 20 30 BCEDRP CN1CC[NH+]=C1NCC1([NH+](C)C)CCC1 ZINC000261535168 536110820 /nfs/dbraw/zinc/11/08/20/536110820.db2.gz NYNATITYTBBKOC-UHFFFAOYSA-N 2 0 210.325 0.362 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000854723703 588802276 /nfs/dbraw/zinc/80/22/76/588802276.db2.gz FRBMBJIQVUHQCV-UHFFFAOYSA-N 2 0 225.336 0.124 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855360035 588829226 /nfs/dbraw/zinc/82/92/26/588829226.db2.gz GRZJFKNMCUOQHT-GFCCVEGCSA-N 2 0 239.363 0.657 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000855415656 588831969 /nfs/dbraw/zinc/83/19/69/588831969.db2.gz LMKAGDFNICKIRL-NSHDSACASA-N 2 0 227.352 0.561 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073573 588859685 /nfs/dbraw/zinc/85/96/85/588859685.db2.gz SPQMCGSIPDDMAZ-LBPRGKRZSA-N 2 0 239.363 0.705 20 30 BCEDRP C[C@H]1C[N@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000751515865 583913267 /nfs/dbraw/zinc/91/32/67/583913267.db2.gz ACUUCIRNEAGXIS-JTQLQIEISA-N 2 0 245.330 0.977 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000900366553 584296895 /nfs/dbraw/zinc/29/68/95/584296895.db2.gz CEOXBVJRYSTDTC-UHFFFAOYSA-N 2 0 239.363 0.705 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC000900597948 584330447 /nfs/dbraw/zinc/33/04/47/584330447.db2.gz CVZLRPSALQIYSQ-UHFFFAOYSA-N 2 0 248.330 0.719 20 30 BCEDRP C#C[C@H]1COCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930078 584824161 /nfs/dbraw/zinc/82/41/61/584824161.db2.gz RLBXPLGXHIVPTD-GSPSYOTPSA-N 2 0 234.343 0.851 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000877105782 584890049 /nfs/dbraw/zinc/89/00/49/584890049.db2.gz NBCLDGOSPKENBO-CMPLNLGQSA-N 2 0 225.336 0.490 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000763897321 585456376 /nfs/dbraw/zinc/45/63/76/585456376.db2.gz YPWYYCGRTKGSIO-UHFFFAOYSA-N 2 0 239.363 0.657 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+](C)C ZINC000763898587 585456474 /nfs/dbraw/zinc/45/64/74/585456474.db2.gz DZCIVCZQKNSUOC-UHFFFAOYSA-N 2 0 213.325 0.172 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000798276846 586142164 /nfs/dbraw/zinc/14/21/64/586142164.db2.gz JNLBYDSCDHTFEW-UHFFFAOYSA-N 2 0 241.379 0.808 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804381520 586394579 /nfs/dbraw/zinc/39/45/79/586394579.db2.gz PLPFBASDSROKKP-LBPRGKRZSA-N 2 0 239.363 0.657 20 30 BCEDRP C[NH+](C)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809571777 586507198 /nfs/dbraw/zinc/50/71/98/586507198.db2.gz BRKXMUPFEJTYFN-GFCCVEGCSA-N 2 0 225.336 0.535 20 30 BCEDRP C[C@@H]1C[N@@H+](C2CC2)CC1N=NC1=NCCN1 ZINC000841661502 587969989 /nfs/dbraw/zinc/96/99/89/587969989.db2.gz PWFAUKFPCWLHEG-MRVPVSSYSA-N 2 0 221.308 0.005 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000848021304 588348558 /nfs/dbraw/zinc/34/85/58/588348558.db2.gz XBQHEWBJIJOESE-UHFFFAOYSA-N 2 0 237.347 0.482 20 30 BCEDRP C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848721146 588408403 /nfs/dbraw/zinc/40/84/03/588408403.db2.gz BPCUMJZEMNDHIB-MNOVXSKESA-N 2 0 246.376 0.447 20 30 BCEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CC1 ZINC000848992498 588427654 /nfs/dbraw/zinc/42/76/54/588427654.db2.gz DRFJEUDFCKUSQY-SNVBAGLBSA-N 2 0 236.363 0.798 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000848992555 588427692 /nfs/dbraw/zinc/42/76/92/588427692.db2.gz JEKLNEFOWTYTEP-JTQLQIEISA-N 2 0 210.325 0.628 20 30 BCEDRP CCNC(NCC[N@@H+]1CC[C@@H](C)C1)=[NH+]CC ZINC000849004166 588431779 /nfs/dbraw/zinc/43/17/79/588431779.db2.gz DGIWVUPCCDFVAX-LLVKDONJSA-N 2 0 226.368 0.903 20 30 BCEDRP CNC(NCC[N@@H+]1CCCC(C)(C)C1)=[NH+]C ZINC000849023222 588439562 /nfs/dbraw/zinc/43/95/62/588439562.db2.gz ZOJGIDJECZMGDM-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP CNC(NCCC[N@H+](C)CC(C)C)=[NH+]C ZINC000849046434 588450346 /nfs/dbraw/zinc/45/03/46/588450346.db2.gz GPDUIDDXQJRCNW-UHFFFAOYSA-N 2 0 214.357 0.759 20 30 BCEDRP CNC(NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050158 588451818 /nfs/dbraw/zinc/45/18/18/588451818.db2.gz YLPXXKZOSRMTEK-MXWKQRLJSA-N 2 0 242.367 0.279 20 30 BCEDRP [NH3+]CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852790925 588702959 /nfs/dbraw/zinc/70/29/59/588702959.db2.gz CDYCMTHMHNAQKB-UHFFFAOYSA-N 2 0 249.358 0.187 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]C1 ZINC000852793830 588703129 /nfs/dbraw/zinc/70/31/29/588703129.db2.gz GZTYPCXWMAATMQ-ZDUSSCGKSA-N 2 0 249.358 0.105 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@H]1CC[NH2+]C1 ZINC000852796179 588703436 /nfs/dbraw/zinc/70/34/36/588703436.db2.gz QLNRMNKNIAEOHX-CYBMUJFWSA-N 2 0 249.358 0.105 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCCC1 ZINC000852854968 588708430 /nfs/dbraw/zinc/70/84/30/588708430.db2.gz CWUIBYZRMZVPRJ-UHFFFAOYSA-N 2 0 249.358 0.201 20 30 BCEDRP CC[NH2+][C@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852877403 588710463 /nfs/dbraw/zinc/71/04/63/588710463.db2.gz HAWKRRCZROYCAN-LLVKDONJSA-N 2 0 237.347 0.104 20 30 BCEDRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852878378 588710804 /nfs/dbraw/zinc/71/08/04/588710804.db2.gz JLHXVNRGZUTKIA-AAEUAGOBSA-N 2 0 249.358 0.104 20 30 BCEDRP CNC(NC[C@@H]1c2ccccc2CN1C)=[NH+]C ZINC000864358094 589355378 /nfs/dbraw/zinc/35/53/78/589355378.db2.gz ISCVGXMQVGLOKN-GFCCVEGCSA-N 2 0 232.331 0.968 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508096 590205190 /nfs/dbraw/zinc/20/51/90/590205190.db2.gz IIWCSRALKPQOML-DTWKUNHWSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876513254 590206162 /nfs/dbraw/zinc/20/61/62/590206162.db2.gz JFLKXDMRSAJDMR-UWVGGRQHSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514925 590206618 /nfs/dbraw/zinc/20/66/18/590206618.db2.gz VMPDNNHPNRGOHN-NXEZZACHSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000876517934 590206829 /nfs/dbraw/zinc/20/68/29/590206829.db2.gz HHAFOEOWXMOYQT-UWVGGRQHSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000876517936 590207149 /nfs/dbraw/zinc/20/71/49/590207149.db2.gz HHAFOEOWXMOYQT-ZJUUUORDSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000876529466 590209846 /nfs/dbraw/zinc/20/98/46/590209846.db2.gz DJDQOYCALNVHAM-VIFPVBQESA-N 2 0 245.754 0.844 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000876532447 590210208 /nfs/dbraw/zinc/21/02/08/590210208.db2.gz HEUYEXGVWMGLKC-NXEZZACHSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827082 590246924 /nfs/dbraw/zinc/24/69/24/590246924.db2.gz LJZADJRUANDJJS-SECBINFHSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000876860664 590250498 /nfs/dbraw/zinc/25/04/98/590250498.db2.gz GWVAVGMGYASXJO-FXQIFTODSA-N 2 0 219.716 0.308 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916676 590256826 /nfs/dbraw/zinc/25/68/26/590256826.db2.gz XXJOUUYVUCMGRX-BDAKNGLRSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957770 590260792 /nfs/dbraw/zinc/26/07/92/590260792.db2.gz GJOQSCULAPBQFQ-MRVPVSSYSA-N 2 0 233.743 0.652 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967064 590262511 /nfs/dbraw/zinc/26/25/11/590262511.db2.gz BGMYCPBDUAMZLT-YUCVTWSNSA-N 2 0 243.738 0.406 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980523 590264766 /nfs/dbraw/zinc/26/47/66/590264766.db2.gz IGQAYKLBSONWSV-WPRPVWTQSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244929 590303002 /nfs/dbraw/zinc/30/30/02/590303002.db2.gz VRQZEPACWOXXHV-CIUDSAMLSA-N 2 0 231.727 0.310 20 30 BCEDRP COCC#CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880137766 590940738 /nfs/dbraw/zinc/94/07/38/590940738.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 0 222.332 0.805 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364289 591916557 /nfs/dbraw/zinc/91/65/57/591916557.db2.gz PQBYLVQDORPZAM-XHNCKOQMSA-N 2 0 245.754 0.698 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364288 591916589 /nfs/dbraw/zinc/91/65/89/591916589.db2.gz PQBYLVQDORPZAM-DJLDLDEBSA-N 2 0 245.754 0.698 20 30 BCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314883 635649040 /nfs/dbraw/zinc/64/90/40/635649040.db2.gz FIDKUSQFTZWQMM-QWHCGFSZSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447193 635674618 /nfs/dbraw/zinc/67/46/18/635674618.db2.gz NLWKSMIHOSNHAD-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973360 632089065 /nfs/dbraw/zinc/08/90/65/632089065.db2.gz IEQXNUZUTPUAOX-UPJWGTAASA-N 2 0 249.358 0.198 20 30 BCEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000066245421 632861535 /nfs/dbraw/zinc/86/15/35/632861535.db2.gz XVYKVFNGKMWYEM-UHFFFAOYSA-N 2 0 212.341 0.783 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001019033349 633152499 /nfs/dbraw/zinc/15/24/99/633152499.db2.gz KLBARDGRUSLNQU-NWDGAFQWSA-N 2 0 237.347 0.150 20 30 BCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170910531 633176957 /nfs/dbraw/zinc/17/69/57/633176957.db2.gz RWVONTPADVYYRL-JTQLQIEISA-N 2 0 212.341 0.595 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907897 633177443 /nfs/dbraw/zinc/17/74/43/633177443.db2.gz MYCHNNYWMZUJII-SNVBAGLBSA-N 2 0 228.340 0.021 20 30 BCEDRP C=CCNC(=[NH2+])NCCC[NH2+]C(C)(C)C ZINC000309549991 633196358 /nfs/dbraw/zinc/19/63/58/633196358.db2.gz FPBKSPVTGPSXHS-UHFFFAOYSA-N 2 0 212.341 0.855 20 30 BCEDRP C#CCN(C)CCC[NH2+]Cc1cc(C)nn1C ZINC000328170300 633740076 /nfs/dbraw/zinc/74/00/76/633740076.db2.gz KJKNHRRGXXNTKB-UHFFFAOYSA-N 2 0 234.347 0.773 20 30 BCEDRP CCC[N@H+](CC)CCNC(NC)=[NH+]C ZINC000081781386 634131110 /nfs/dbraw/zinc/13/11/10/634131110.db2.gz YKBTVNVSHQMCIR-UHFFFAOYSA-N 2 0 200.330 0.513 20 30 BCEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000194684466 634329601 /nfs/dbraw/zinc/32/96/01/634329601.db2.gz XASJPWGERLNUKX-UWVGGRQHSA-N 2 0 212.341 0.641 20 30 BCEDRP C=CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904477360 637427309 /nfs/dbraw/zinc/42/73/09/637427309.db2.gz USSSHSFVRAFRSA-NSHDSACASA-N 2 0 239.363 0.738 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905453035 637810081 /nfs/dbraw/zinc/81/00/81/637810081.db2.gz QEDDRIMSUFYITG-CHWSQXEVSA-N 2 0 242.363 0.360 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911672010 639700359 /nfs/dbraw/zinc/70/03/59/639700359.db2.gz INUJMNZCKACKRB-GFCCVEGCSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656437 639712740 /nfs/dbraw/zinc/71/27/40/639712740.db2.gz NKICNIIQLBIMMJ-MNOVXSKESA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C ZINC000911723502 639747764 /nfs/dbraw/zinc/74/77/64/639747764.db2.gz FAKGXDZTUHIEBJ-GHMZBOCLSA-N 2 0 225.336 0.490 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708069 639759761 /nfs/dbraw/zinc/75/97/61/639759761.db2.gz TZYGKYHJUCOISO-RYUDHWBXSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752144 639780090 /nfs/dbraw/zinc/78/00/90/639780090.db2.gz LRHOECAPYHKXDZ-NSHDSACASA-N 2 0 225.336 0.538 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000911761752 639801776 /nfs/dbraw/zinc/80/17/76/639801776.db2.gz GSNDKFMOJBOFSC-VIFPVBQESA-N 2 0 213.325 0.524 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911811405 639832426 /nfs/dbraw/zinc/83/24/26/639832426.db2.gz ACRSGJBIAGDUGX-VHSXEESVSA-N 2 0 213.325 0.476 20 30 BCEDRP C#CC[NH2+]CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911832999 639843419 /nfs/dbraw/zinc/84/34/19/639843419.db2.gz XTBDGINIPIFZHS-LBPRGKRZSA-N 2 0 225.336 0.089 20 30 BCEDRP C#CCOCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442073 640207479 /nfs/dbraw/zinc/20/74/79/640207479.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 2 0 222.332 0.520 20 30 BCEDRP C=C(C)[C@H](CO)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439812 640207924 /nfs/dbraw/zinc/20/79/24/640207924.db2.gz OLKYEYQWVKFZEF-AGIUHOORSA-N 2 0 224.348 0.807 20 30 BCEDRP CN(C)C(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000170905383 640936282 /nfs/dbraw/zinc/93/62/82/640936282.db2.gz QADRFNQLSHPUSB-UHFFFAOYSA-N 2 0 200.330 0.451 20 30 BCEDRP CN(C)C(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908573 640937274 /nfs/dbraw/zinc/93/72/74/640937274.db2.gz SFAJIDJFILLVAV-UHFFFAOYSA-N 2 0 212.341 0.739 20 30 BCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585151 642337843 /nfs/dbraw/zinc/33/78/43/642337843.db2.gz QSYJASZJXLSVJV-CYBMUJFWSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554983 642730107 /nfs/dbraw/zinc/73/01/07/642730107.db2.gz LCRVUGOVTAUOIL-IMRBUKKESA-N 2 0 249.358 0.315 20 30 BCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962560776 642731071 /nfs/dbraw/zinc/73/10/71/642731071.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 2 0 249.358 0.171 20 30 BCEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370606 642861741 /nfs/dbraw/zinc/86/17/41/642861741.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 2 0 237.347 0.457 20 30 BCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251550 642950466 /nfs/dbraw/zinc/95/04/66/642950466.db2.gz VSQCMSQMPHZFKE-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016256949 642955367 /nfs/dbraw/zinc/95/53/67/642955367.db2.gz TXAPAFJHEVLHCO-NWDGAFQWSA-N 2 0 237.347 0.315 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001018962459 643015982 /nfs/dbraw/zinc/01/59/82/643015982.db2.gz CUDGRNDPEQDYDU-LBPRGKRZSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001018971549 643016163 /nfs/dbraw/zinc/01/61/63/643016163.db2.gz GLKIESVYIXJYFL-LBPRGKRZSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018965302 643016474 /nfs/dbraw/zinc/01/64/74/643016474.db2.gz ZNJDGROTHRHMBY-QWHCGFSZSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019380850 643029702 /nfs/dbraw/zinc/02/97/02/643029702.db2.gz OJRGJZGOMAXWDB-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019380849 643029837 /nfs/dbraw/zinc/02/98/37/643029837.db2.gz OJRGJZGOMAXWDB-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193311871 644232631 /nfs/dbraw/zinc/23/26/31/644232631.db2.gz YCLLXFRHXQFLDC-LLVKDONJSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923291800 644328402 /nfs/dbraw/zinc/32/84/02/644328402.db2.gz UONHXDFCHAHXDA-SDDRHHMPSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923291803 644329143 /nfs/dbraw/zinc/32/91/43/644329143.db2.gz UONHXDFCHAHXDA-SRVKXCTJSA-N 2 0 212.337 0.983 20 30 BCEDRP C=CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923313537 644340355 /nfs/dbraw/zinc/34/03/55/644340355.db2.gz VBVCWSJTZYNRSC-SRVKXCTJSA-N 2 0 210.321 0.735 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358651 644368302 /nfs/dbraw/zinc/36/83/02/644368302.db2.gz JKNZSSGQBGKFEB-FRRDWIJNSA-N 2 0 224.348 0.997 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499127 644473298 /nfs/dbraw/zinc/47/32/98/644473298.db2.gz KCRVIUVPJWKTPH-SRVKXCTJSA-N 2 0 239.363 0.594 20 30 BCEDRP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504004 644475120 /nfs/dbraw/zinc/47/51/20/644475120.db2.gz NTBAHZDDHCHMQL-WDEREUQCSA-N 2 0 225.336 0.205 20 30 BCEDRP C=CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000786447763 644775863 /nfs/dbraw/zinc/77/58/63/644775863.db2.gz YMIZVQIYXNOLOT-GFCCVEGCSA-N 2 0 212.337 0.951 20 30 BCEDRP CCNC(NC[C@H]1CC[N@H+](C)C1)=[NH+]CC ZINC000303253531 644811978 /nfs/dbraw/zinc/81/19/78/644811978.db2.gz CYMMTBFXGWBRBC-SNVBAGLBSA-N 2 0 212.341 0.513 20 30 BCEDRP CNC(NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000303261226 644813208 /nfs/dbraw/zinc/81/32/08/644813208.db2.gz ODNRUCRYHQNWBJ-MNOVXSKESA-N 2 0 226.368 0.902 20 30 BCEDRP C[NH+]=C(NCC[NH+]1CCCCC1)NC1CC1 ZINC000303395962 644820327 /nfs/dbraw/zinc/82/03/27/644820327.db2.gz HOIKTYSYLKPISB-UHFFFAOYSA-N 2 0 224.352 0.800 20 30 BCEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000303895830 644855992 /nfs/dbraw/zinc/85/59/92/644855992.db2.gz PQOYWGYTOPFMML-RYUDHWBXSA-N 2 0 238.379 0.985 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303903462 644856328 /nfs/dbraw/zinc/85/63/28/644856328.db2.gz YKICHCBDDDVWMX-UHFFFAOYSA-N 2 0 224.352 0.809 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303969061 644860583 /nfs/dbraw/zinc/86/05/83/644860583.db2.gz BJHRUBWNUBRXFE-MNOVXSKESA-N 2 0 244.383 0.656 20 30 BCEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000304745927 644929309 /nfs/dbraw/zinc/92/93/09/644929309.db2.gz FJMRKNJGWYYGNQ-LLVKDONJSA-N 2 0 226.368 0.807 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000876806216 645786897 /nfs/dbraw/zinc/78/68/97/645786897.db2.gz LOGFSNGOHHTEOM-JTQLQIEISA-N 2 0 245.754 0.620 20 30 BCEDRP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390310 /nfs/dbraw/zinc/39/03/10/646390310.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 2 0 239.363 0.923 20 30 BCEDRP CN1CC[NH+]=C1NCCC[NH2+]C(C)(C)C ZINC000390750099 712427302 /nfs/dbraw/zinc/42/73/02/712427302.db2.gz CDKFKYPARFYSCF-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046190827 710855473 /nfs/dbraw/zinc/85/54/73/710855473.db2.gz XIGXZEIFDIKNKO-TZMCWYRMSA-N 2 0 249.358 0.294 20 30 BCEDRP CNC(NCCC[NH+]1CCCCC1)=[NH+]C ZINC000195522006 712730782 /nfs/dbraw/zinc/73/07/82/712730782.db2.gz HXMPEKLSJBWOST-UHFFFAOYSA-N 2 0 212.341 0.657 20 30 BCEDRP C=CCNC(=O)CN1CCC[C@H](C[NH2+]C)C1 ZINC000040601077 136222354 /nfs/dbraw/zinc/22/23/54/136222354.db2.gz WVYVCTIZRAGFMM-LLVKDONJSA-N 2 0 225.336 0.220 20 30 BCEDRP C[C@@H](C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530642112 343145423 /nfs/dbraw/zinc/14/54/23/343145423.db2.gz NZIKLQMFSFALSF-NSHDSACASA-N 2 0 240.351 0.098 20 30 BCEDRP CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712352 346994016 /nfs/dbraw/zinc/99/40/16/346994016.db2.gz HEKXMXGLVNVHJA-UHFFFAOYSA-N 2 0 247.346 0.832 20 30 BCEDRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000600712536 344361782 /nfs/dbraw/zinc/36/17/82/344361782.db2.gz XYAKUKBMCOANDT-RYUDHWBXSA-N 2 0 225.336 0.894 20 30 BCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729270 344364228 /nfs/dbraw/zinc/36/42/28/344364228.db2.gz XDQADCHSBMDWJD-NEPJUHHUSA-N 2 0 239.363 0.971 20 30 BCEDRP C=CCNC(=O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641807708 362766260 /nfs/dbraw/zinc/76/62/60/362766260.db2.gz JEXYNSRZTSOUFE-SRVKXCTJSA-N 2 0 239.363 0.736 20 30 BCEDRP C[C@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424296 348051436 /nfs/dbraw/zinc/05/14/36/348051436.db2.gz AFKQHPIEWFESCQ-NXEZZACHSA-N 2 0 226.324 0.203 20 30 BCEDRP C[NH+](C)CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445372 348055477 /nfs/dbraw/zinc/05/54/77/348055477.db2.gz DQNNVKOUWKZPMR-NSHDSACASA-N 2 0 240.351 0.466 20 30 BCEDRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594449963 348057544 /nfs/dbraw/zinc/05/75/44/348057544.db2.gz QAPLOCCGVQEPRU-LLVKDONJSA-N 2 0 240.351 0.466 20 30 BCEDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594450224 348057587 /nfs/dbraw/zinc/05/75/87/348057587.db2.gz VBBZRRRIFUJJCT-DCAQKATOSA-N 2 0 238.335 0.346 20 30 BCEDRP CC(C)(CC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594450211 348057603 /nfs/dbraw/zinc/05/76/03/348057603.db2.gz UJGDYNQZIGHMEP-JTQLQIEISA-N 2 0 240.351 0.641 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400940771 490129741 /nfs/dbraw/zinc/12/97/41/490129741.db2.gz SLHRRPBFKPKABS-UMSGYPCISA-N 2 0 224.348 0.901 20 30 BCEDRP C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000595936343 348409028 /nfs/dbraw/zinc/40/90/28/348409028.db2.gz BHCHNDYZIUUCEP-GHMZBOCLSA-N 2 0 240.351 0.464 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000291806580 352289993 /nfs/dbraw/zinc/28/99/93/352289993.db2.gz BCDSQAQHEWXWJR-JTQLQIEISA-N 2 0 212.341 0.665 20 30 BCEDRP C#CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378314679 134245813 /nfs/dbraw/zinc/24/58/13/134245813.db2.gz HWBMJWOAMJNPEA-GJZGRUSLSA-N 2 0 249.402 0.968 20 30 BCEDRP CN(C)C(=[NH+]CC[NH+]1CCCC1)N(C)C ZINC000170907823 134255101 /nfs/dbraw/zinc/25/51/01/134255101.db2.gz KHRGPGHIEXQYNL-UHFFFAOYSA-N 2 0 212.341 0.561 20 30 BCEDRP C=CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371766 358438890 /nfs/dbraw/zinc/43/88/90/358438890.db2.gz NIYZBZSRANLQGL-CYBMUJFWSA-N 2 0 223.364 0.884 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942839 491140847 /nfs/dbraw/zinc/14/08/47/491140847.db2.gz QYWYOSKQPSBOHG-GRYCIOLGSA-N 2 0 210.321 0.465 20 30 BCEDRP C=CCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630589413 364294747 /nfs/dbraw/zinc/29/47/47/364294747.db2.gz YVEQPWRCRWCLGZ-UHFFFAOYSA-N 2 0 235.335 0.430 20 30 BCEDRP C=C[C@@H](C(=O)OC)N(C)CCCn1ccnc1 ZINC000619719775 369550139 /nfs/dbraw/zinc/55/01/39/369550139.db2.gz CBFOUECENQPANM-NSHDSACASA-N 2 0 237.303 0.933 20 30 BCEDRP C[NH+](C)CC[C@H](N)C(=O)Nc1cccc(C#N)c1 ZINC000602605043 369826269 /nfs/dbraw/zinc/82/62/69/369826269.db2.gz RUWKMIYMXQNFOM-LBPRGKRZSA-N 2 0 246.314 0.776 20 30 BCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1CC1 ZINC000424200941 206034991 /nfs/dbraw/zinc/03/49/91/206034991.db2.gz RPISUZUPXZWIMV-WDEREUQCSA-N 2 0 238.335 0.203 20 30 BCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424192475 206035190 /nfs/dbraw/zinc/03/51/90/206035190.db2.gz IXWYVGGYXJDAKW-VHSXEESVSA-N 2 0 240.351 0.497 20 30 BCEDRP C#CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000267425497 532998649 /nfs/dbraw/zinc/99/86/49/532998649.db2.gz LIKCGXKLTXFAEF-NSHDSACASA-N 2 0 222.336 0.398 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236659704 384546186 /nfs/dbraw/zinc/54/61/86/384546186.db2.gz JONJOIWQQMXWLO-LLVKDONJSA-N 2 0 237.347 0.363 20 30 BCEDRP CC[C@@H](CC#N)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000564465332 384870014 /nfs/dbraw/zinc/87/00/14/384870014.db2.gz LDNUUHTZBGSLTM-JQWIXIFHSA-N 2 0 225.336 0.723 20 30 BCEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309835868 384866256 /nfs/dbraw/zinc/86/62/56/384866256.db2.gz BAHBQTHHGRYCII-VXGBXAGGSA-N 2 0 225.336 0.846 20 30 BCEDRP C=CCC[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000309018385 385372634 /nfs/dbraw/zinc/37/26/34/385372634.db2.gz VPNYXYQGTLYLGZ-NWDGAFQWSA-N 2 0 212.337 0.997 20 30 BCEDRP C=CCC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000320613231 385409614 /nfs/dbraw/zinc/40/96/14/385409614.db2.gz HAYYIQFLONCWEG-STQMWFEESA-N 2 0 242.363 0.360 20 30 BCEDRP CN1CCO[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913300 385456431 /nfs/dbraw/zinc/45/64/31/385456431.db2.gz UFAPPHRTIOOQGQ-JTQLQIEISA-N 2 0 249.318 0.139 20 30 BCEDRP C#CCNC(NCC1([NH+](C)C)CCCC1)=[NH+]C ZINC000262636171 533140902 /nfs/dbraw/zinc/14/09/02/533140902.db2.gz ZSWNSZIYTIBMFA-UHFFFAOYSA-N 2 0 236.363 0.659 20 30 BCEDRP C#CCNC(NC[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262629093 533141631 /nfs/dbraw/zinc/14/16/31/533141631.db2.gz VGMLITHCRSQBFI-LLVKDONJSA-N 2 0 234.347 0.269 20 30 BCEDRP C#CCNC(NCC[N@H+](C)C1CCCC1)=[NH+]C ZINC000262766596 533142073 /nfs/dbraw/zinc/14/20/73/533142073.db2.gz GGMSCIIKYKBKQX-UHFFFAOYSA-N 2 0 236.363 0.659 20 30 BCEDRP C#CCNC(NC[C@@H]1CC[N@H+](CC)C1)=[NH+]CC ZINC000262602200 533142182 /nfs/dbraw/zinc/14/21/82/533142182.db2.gz DQZYRYONFDYAEG-LBPRGKRZSA-N 2 0 236.363 0.517 20 30 BCEDRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424078833 387481148 /nfs/dbraw/zinc/48/11/48/387481148.db2.gz QICJNZQPRORYPO-MNOVXSKESA-N 2 0 238.335 0.218 20 30 BCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143806 387754652 /nfs/dbraw/zinc/75/46/52/387754652.db2.gz GGNJUXNBDODNBN-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424152128 387799473 /nfs/dbraw/zinc/79/94/73/387799473.db2.gz IKQYJYQOQMCXGH-NXEZZACHSA-N 2 0 226.324 0.074 20 30 BCEDRP C#C[C@@H](C)[NH+](C)CCOCC[N@@H+](C)[C@H](C)C#C ZINC000491673341 388309734 /nfs/dbraw/zinc/30/97/34/388309734.db2.gz UMQXYVNRHULNAG-ZIAGYGMSSA-N 2 0 236.359 0.910 20 30 BCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000491693128 388311363 /nfs/dbraw/zinc/31/13/63/388311363.db2.gz IKOMSHVKNFEQFM-GFCCVEGCSA-N 2 0 237.347 0.009 20 30 BCEDRP C#CCNC(=O)CC[NH2+]CCC[NH+](CC)CC ZINC000491804258 388321737 /nfs/dbraw/zinc/32/17/37/388321737.db2.gz LKLGMNRWUKNPTO-UHFFFAOYSA-N 2 0 239.363 0.447 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000572723691 388368435 /nfs/dbraw/zinc/36/84/35/388368435.db2.gz VLQGEORZQWTXBP-LLVKDONJSA-N 2 0 238.335 0.266 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000519607222 256652947 /nfs/dbraw/zinc/65/29/47/256652947.db2.gz PMDBYYQOTWCZET-TUAOUCFPSA-N 2 0 237.347 0.442 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368917793 134220763 /nfs/dbraw/zinc/22/07/63/134220763.db2.gz SJDWFSHZOIVOBE-QWRGUYRKSA-N 2 0 238.335 0.150 20 30 BCEDRP C#CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375900418 134241147 /nfs/dbraw/zinc/24/11/47/134241147.db2.gz GRCMVWDNFOJXJZ-AWEZNQCLSA-N 2 0 235.375 0.720 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261898248 135112279 /nfs/dbraw/zinc/11/22/79/135112279.db2.gz VKQKSNACKMBHIW-SNVBAGLBSA-N 2 0 222.336 0.561 20 30 BCEDRP C=CCNC(NC[C@H]1CCC[N@@H+]1C)=[NH+]C ZINC000262949357 135123701 /nfs/dbraw/zinc/12/37/01/135123701.db2.gz BMQDYUWXKYUZPR-SNVBAGLBSA-N 2 0 210.325 0.432 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H](C)[NH+](CC)CC ZINC000264089807 135132440 /nfs/dbraw/zinc/13/24/40/135132440.db2.gz KOFKYZHUQGKYMN-SNVBAGLBSA-N 2 0 212.341 0.807 20 30 BCEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000264133281 135134990 /nfs/dbraw/zinc/13/49/90/135134990.db2.gz USRNAUKWTAPZQA-UHFFFAOYSA-N 2 0 212.341 0.807 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000261534322 135166971 /nfs/dbraw/zinc/16/69/71/135166971.db2.gz MALDPCGPYMGPGY-NXEZZACHSA-N 2 0 210.325 0.266 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000261534896 135168463 /nfs/dbraw/zinc/16/84/63/135168463.db2.gz NIDYJKBJAAZZQZ-JTQLQIEISA-N 2 0 210.325 0.362 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[NH+]2CCCCC2)N1 ZINC000261537331 135173917 /nfs/dbraw/zinc/17/39/17/135173917.db2.gz VHQJKYRABOKERG-JTQLQIEISA-N 2 0 210.325 0.410 20 30 BCEDRP CC[N@@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000261538286 135175761 /nfs/dbraw/zinc/17/57/61/135175761.db2.gz XQUBUQMIGQJHGW-SNVBAGLBSA-N 2 0 210.325 0.219 20 30 BCEDRP CN1CC[NH+]=C1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261571723 135213611 /nfs/dbraw/zinc/21/36/11/135213611.db2.gz HTVGFQKWIRHEAT-SNVBAGLBSA-N 2 0 222.336 0.362 20 30 BCEDRP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000261968065 135266850 /nfs/dbraw/zinc/26/68/50/135266850.db2.gz BZXRAJVPKKJRPU-LLVKDONJSA-N 2 0 238.379 0.950 20 30 BCEDRP C[NH+]=C(NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261994374 135270332 /nfs/dbraw/zinc/27/03/32/135270332.db2.gz SBNJRNOFHSCAGH-JOYOIKCWSA-N 2 0 236.363 0.797 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261998724 135271259 /nfs/dbraw/zinc/27/12/59/135271259.db2.gz OOJXCQVUZWTLKF-SNVBAGLBSA-N 2 0 242.392 0.302 20 30 BCEDRP CN(C(=[NH2+])NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000262245108 135287559 /nfs/dbraw/zinc/28/75/59/135287559.db2.gz OOVJBUIENHRLBU-LLVKDONJSA-N 2 0 224.352 0.736 20 30 BCEDRP CN/C(=[NH+]/C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262435529 135297052 /nfs/dbraw/zinc/29/70/52/135297052.db2.gz GFZKIBUFNXBLCI-LLVKDONJSA-N 2 0 224.352 0.752 20 30 BCEDRP C[C@@H]1CN(C(=[NH2+])NCC[NH2+]C(C)(C)C)CCO1 ZINC000262469259 135301015 /nfs/dbraw/zinc/30/10/15/135301015.db2.gz OKFXGHBSUSMFAD-SNVBAGLBSA-N 2 0 242.367 0.410 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCCC[C@H]2C)N1 ZINC000262478437 135302111 /nfs/dbraw/zinc/30/21/11/135302111.db2.gz CNQLPGFVKAGWAJ-GHMZBOCLSA-N 2 0 224.352 0.798 20 30 BCEDRP CN1CC[NH+]=C1NC[C@H](C1CC1)[NH+](C)C ZINC000262630213 135309528 /nfs/dbraw/zinc/30/95/28/135309528.db2.gz FMLWJSWRWRSQIP-SNVBAGLBSA-N 2 0 210.325 0.218 20 30 BCEDRP CN1CC[NH+]=C1NC1CC([NH+]2CCCCC2)C1 ZINC000262638578 135310059 /nfs/dbraw/zinc/31/00/59/135310059.db2.gz HHBNPMDNQBLIDO-UHFFFAOYSA-N 2 0 236.363 0.894 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262639553 135310225 /nfs/dbraw/zinc/31/02/25/135310225.db2.gz HKUPQSKOSOKYDM-MNOVXSKESA-N 2 0 224.352 0.798 20 30 BCEDRP COCC[N@@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262681249 135313292 /nfs/dbraw/zinc/31/32/92/135313292.db2.gz WFGYJLFMAUIDOG-WDEREUQCSA-N 2 0 240.351 0.035 20 30 BCEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CC1 ZINC000262786428 135318374 /nfs/dbraw/zinc/31/83/74/135318374.db2.gz MTWLGOPEPZCMNZ-UHFFFAOYSA-N 2 0 236.363 0.928 20 30 BCEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CC1)N(C)C ZINC000263191123 135338858 /nfs/dbraw/zinc/33/88/58/135338858.db2.gz VSCWFWDKFXTJPG-UHFFFAOYSA-N 2 0 212.341 0.560 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491674944 398059793 /nfs/dbraw/zinc/05/97/93/398059793.db2.gz STSJQYNQWMGPBW-NWDGAFQWSA-N 2 0 237.347 0.198 20 30 BCEDRP C#CCN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000491763374 398065164 /nfs/dbraw/zinc/06/51/64/398065164.db2.gz ACPNFIAMZGFJGA-ZDUSSCGKSA-N 2 0 222.332 0.539 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662783554 409913818 /nfs/dbraw/zinc/91/38/18/409913818.db2.gz QNNHNOWUGWXUIS-JBLDHEPKSA-N 2 0 225.336 0.537 20 30 BCEDRP CC#CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000125686661 411374725 /nfs/dbraw/zinc/37/47/25/411374725.db2.gz YGDXYXQHDGLKGV-LBPRGKRZSA-N 2 0 210.321 0.446 20 30 BCEDRP C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)COC ZINC000662299835 412086984 /nfs/dbraw/zinc/08/69/84/412086984.db2.gz YFGRQQSSUXNZQQ-CYBMUJFWSA-N 2 0 241.379 0.415 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662393166 412143514 /nfs/dbraw/zinc/14/35/14/412143514.db2.gz BZMXXMLYOLSJKS-ZYHUDNBSSA-N 2 0 223.320 0.244 20 30 BCEDRP C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665263385 412205656 /nfs/dbraw/zinc/20/56/56/412205656.db2.gz LNNCUTXUNDVYTC-RWMBFGLXSA-N 2 0 242.363 0.921 20 30 BCEDRP C=CC[C@]1(C(=O)NCCC[NH3+])CCC[NH2+]1 ZINC000662394087 412144411 /nfs/dbraw/zinc/14/44/11/412144411.db2.gz OWZVDLSGWVRFRZ-LLVKDONJSA-N 2 0 211.309 0.150 20 30 BCEDRP C=CC[C@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000662410524 412154350 /nfs/dbraw/zinc/15/43/50/412154350.db2.gz AFSROJTZKXRZTE-CYBMUJFWSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000662411994 412155249 /nfs/dbraw/zinc/15/52/49/412155249.db2.gz NYPARUMCFRXYEP-DGCLKSJQSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NCC2([NH3+])CCC2)CCC[NH2+]1 ZINC000662764994 412294551 /nfs/dbraw/zinc/29/45/51/412294551.db2.gz PSFMEIQCRWYJMC-CYBMUJFWSA-N 2 0 237.347 0.682 20 30 BCEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000563528311 323129134 /nfs/dbraw/zinc/12/91/34/323129134.db2.gz XDAFOOJRHKKANI-VXGBXAGGSA-N 2 0 239.363 0.609 20 30 BCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571315502 323141264 /nfs/dbraw/zinc/14/12/64/323141264.db2.gz IGEOBBBWKTZCEM-CYBMUJFWSA-N 2 0 241.379 0.151 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)N2CC([NH+](C)C)C2)CC1 ZINC000134995857 325387353 /nfs/dbraw/zinc/38/73/53/325387353.db2.gz WQLJXEGWMIUNAX-UHFFFAOYSA-N 2 0 249.358 0.104 20 30 BCEDRP N#CCCC1CC[NH+](CCOCC[NH3+])CC1 ZINC000567895408 326278455 /nfs/dbraw/zinc/27/84/55/326278455.db2.gz HJIIXIFOSXBIJJ-UHFFFAOYSA-N 2 0 225.336 0.977 20 30 BCEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)NC1CC1 ZINC000262138691 536304678 /nfs/dbraw/zinc/30/46/78/536304678.db2.gz PHJOYYRYAKAWHK-LLVKDONJSA-N 2 0 224.352 0.654 20 30 BCEDRP C[NH+]=C(NCC1=CC[N@H+](C)CC1)NC1CC1 ZINC000263192245 536304592 /nfs/dbraw/zinc/30/45/92/536304592.db2.gz ZAAUBCDHOSFLJG-UHFFFAOYSA-N 2 0 222.336 0.576 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000066244974 534519344 /nfs/dbraw/zinc/51/93/44/534519344.db2.gz BKDLORPQHWCVHF-SNVBAGLBSA-N 2 0 210.325 0.561 20 30 BCEDRP C=CCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000261887225 534844893 /nfs/dbraw/zinc/84/48/93/534844893.db2.gz SEVWYOIMXOODLD-UHFFFAOYSA-N 2 0 224.352 0.951 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000491668985 526820307 /nfs/dbraw/zinc/82/03/07/526820307.db2.gz UECHDLBNKQHXKV-GFCCVEGCSA-N 2 0 239.363 0.398 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC000491668986 526823612 /nfs/dbraw/zinc/82/36/12/526823612.db2.gz UECHDLBNKQHXKV-LBPRGKRZSA-N 2 0 239.363 0.398 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000262501243 535597938 /nfs/dbraw/zinc/59/79/38/535597938.db2.gz ZDQVFMLGMIGYJG-QMMMGPOBSA-N 2 0 234.294 0.640 20 30 BCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000262768668 536111709 /nfs/dbraw/zinc/11/17/09/536111709.db2.gz IDENXPVMJLHRCJ-UHFFFAOYSA-N 2 0 240.351 0.118 20 30 BCEDRP COCC[NH+](C)CC#CC[N@@H+](C)CCOC ZINC000341835213 536773258 /nfs/dbraw/zinc/77/32/58/536773258.db2.gz NGWFRCOBJWTSLQ-UHFFFAOYSA-N 2 0 228.336 0.146 20 30 BCEDRP CNC(NCC1CC[NH+](CC2CC2)CC1)=[NH+]C ZINC000853013169 583023484 /nfs/dbraw/zinc/02/34/84/583023484.db2.gz NYLDVPAXWWXJFL-UHFFFAOYSA-N 2 0 238.379 0.903 20 30 BCEDRP C[C@@H]1C[NH+]=C(NN=Cc2cnc3n2CCC3)N1 ZINC000853330203 588733572 /nfs/dbraw/zinc/73/35/72/588733572.db2.gz KOBOLSNQVRWGQI-MRVPVSSYSA-N 2 0 232.291 0.101 20 30 BCEDRP CCCC[N@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000112495740 588800494 /nfs/dbraw/zinc/80/04/94/588800494.db2.gz ZYCFKEVOCGHOJW-UHFFFAOYSA-N 2 0 212.341 0.785 20 30 BCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862114 583021052 /nfs/dbraw/zinc/02/10/52/583021052.db2.gz TUPXCXIKGZSFEP-ZDUSSCGKSA-N 2 0 249.358 0.200 20 30 BCEDRP C[N@H+](C[C@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454055 584772549 /nfs/dbraw/zinc/77/25/49/584772549.db2.gz STTAMVXYWIVHGF-HTAVTVPLSA-N 2 0 225.336 0.568 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000764478677 585466309 /nfs/dbraw/zinc/46/63/09/585466309.db2.gz IRFHTVCSRVGFAM-LLVKDONJSA-N 2 0 239.363 0.703 20 30 BCEDRP C[C@H]1CNC(NN=C2CC[N@@H+]3CCC[C@H]23)=[NH+]1 ZINC000779792204 585763745 /nfs/dbraw/zinc/76/37/45/585763745.db2.gz QAFVCJHFEOQNBY-WCBMZHEXSA-N 2 0 221.308 0.148 20 30 BCEDRP C[C@H]1CNC(NN=C2CC[N@H+](C)[C@H](C)C2)=[NH+]1 ZINC000779794148 585764364 /nfs/dbraw/zinc/76/43/64/585764364.db2.gz CZKCKTARZOCARL-DTWKUNHWSA-N 2 0 223.324 0.394 20 30 BCEDRP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@@H](C)C2)=[NH+]1 ZINC000779794146 585764448 /nfs/dbraw/zinc/76/44/48/585764448.db2.gz CZKCKTARZOCARL-BDAKNGLRSA-N 2 0 223.324 0.394 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000816832007 586766981 /nfs/dbraw/zinc/76/69/81/586766981.db2.gz MPVSDEYVCLLRCP-SNVBAGLBSA-N 2 0 227.352 0.418 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816950399 586773440 /nfs/dbraw/zinc/77/34/40/586773440.db2.gz RHGICVHKELZZJK-NEPJUHHUSA-N 2 0 237.347 0.267 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCCC1 ZINC000822236735 587158837 /nfs/dbraw/zinc/15/88/37/587158837.db2.gz NSDLVGVMTCBBKZ-UHFFFAOYSA-N 2 0 225.336 0.316 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCCC1 ZINC000822230037 587159118 /nfs/dbraw/zinc/15/91/18/587159118.db2.gz QFQLGIQLETVSRU-UHFFFAOYSA-N 2 0 239.363 0.706 20 30 BCEDRP C[C@@H]1CC(N=NC2=NCCN2)C[N@@H+]1C1CC1 ZINC000841661305 587970520 /nfs/dbraw/zinc/97/05/20/587970520.db2.gz NYIFTOJQCMFHOK-MRVPVSSYSA-N 2 0 221.308 0.148 20 30 BCEDRP C[C@H]1CNC(NN=C2CCC[N@@H+]3CCCC[C@H]23)=[NH+]1 ZINC000848408201 588379045 /nfs/dbraw/zinc/37/90/45/588379045.db2.gz GUUOYFFOXCAZJO-CMPLNLGQSA-N 2 0 249.362 0.928 20 30 BCEDRP CCCC[N@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000849005376 588432174 /nfs/dbraw/zinc/43/21/74/588432174.db2.gz AZSUKRCXJSATCU-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP C#CCOCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000851781873 588627791 /nfs/dbraw/zinc/62/77/91/588627791.db2.gz HIEZDZWGOZJXHA-ZDUSSCGKSA-N 2 0 224.348 0.910 20 30 BCEDRP N#Cc1ccc(CCN(CC[NH3+])CCO)cc1 ZINC000852746330 588699204 /nfs/dbraw/zinc/69/92/04/588699204.db2.gz ISRUUBYTJVHBON-UHFFFAOYSA-N 2 0 233.315 0.354 20 30 BCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000852793829 588703190 /nfs/dbraw/zinc/70/31/90/588703190.db2.gz GZTYPCXWMAATMQ-CYBMUJFWSA-N 2 0 249.358 0.105 20 30 BCEDRP C[C@](C[NH3+])(NC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852797257 588703812 /nfs/dbraw/zinc/70/38/12/588703812.db2.gz NFOCZYNXMMKMRP-CQSZACIVSA-N 2 0 249.358 0.233 20 30 BCEDRP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000852874136 588709902 /nfs/dbraw/zinc/70/99/02/588709902.db2.gz HZEPDKBSTSYMPP-RYUDHWBXSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874135 588709946 /nfs/dbraw/zinc/70/99/46/588709946.db2.gz HZEPDKBSTSYMPP-NWDGAFQWSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852878107 588710373 /nfs/dbraw/zinc/71/03/73/588710373.db2.gz IASQJYBNGYWRLM-DGCLKSJQSA-N 2 0 249.358 0.246 20 30 BCEDRP C[C@@]1(C[NH3+])CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852877410 588710400 /nfs/dbraw/zinc/71/04/00/588710400.db2.gz HBCVCPSDJGHKNC-AWEZNQCLSA-N 2 0 249.358 0.187 20 30 BCEDRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852882940 588711337 /nfs/dbraw/zinc/71/13/37/588711337.db2.gz SXYVUYIYPJCIPL-QWHCGFSZSA-N 2 0 249.358 0.233 20 30 BCEDRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852892979 588711767 /nfs/dbraw/zinc/71/17/67/588711767.db2.gz KNLCTTLYTSGEDK-MNOVXSKESA-N 2 0 237.347 0.231 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864465765 589371109 /nfs/dbraw/zinc/37/11/09/589371109.db2.gz BUPUEVYVXJFCID-MNOVXSKESA-N 2 0 222.336 0.464 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000876506701 590204528 /nfs/dbraw/zinc/20/45/28/590204528.db2.gz YHDUYHYPJGGURE-VIFPVBQESA-N 2 0 231.727 0.278 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000876507822 590205124 /nfs/dbraw/zinc/20/51/24/590205124.db2.gz ONGDJCXRPFPMLO-MRVPVSSYSA-N 2 0 219.716 0.182 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515817 590206340 /nfs/dbraw/zinc/20/63/40/590206340.db2.gz XZGIMEHQPJGCRH-VHSXEESVSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516536 590206422 /nfs/dbraw/zinc/20/64/22/590206422.db2.gz BMPSTSQQTYVENG-YUMQZZPRSA-N 2 0 217.700 0.016 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515819 590206515 /nfs/dbraw/zinc/20/65/15/590206515.db2.gz XZGIMEHQPJGCRH-ZJUUUORDSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514927 590206744 /nfs/dbraw/zinc/20/67/44/590206744.db2.gz VMPDNNHPNRGOHN-VHSXEESVSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525659 590208472 /nfs/dbraw/zinc/20/84/72/590208472.db2.gz MSGFNULSZXRXBH-UWVGGRQHSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534097 590210663 /nfs/dbraw/zinc/21/06/63/590210663.db2.gz OEXBRLHHUPIMIL-RKDXNWHRSA-N 2 0 233.743 0.556 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000876534353 590210721 /nfs/dbraw/zinc/21/07/21/590210721.db2.gz AYZWWTHSXGAUDQ-MWLCHTKSSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000876748814 590236940 /nfs/dbraw/zinc/23/69/40/590236940.db2.gz HUALSJMUZMNSBF-SNVBAGLBSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000876813859 590245472 /nfs/dbraw/zinc/24/54/72/590245472.db2.gz XVKGFAIMJKMISF-UJNFCWOMSA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840866 590248383 /nfs/dbraw/zinc/24/83/83/590248383.db2.gz YSGCYTZOGWMENA-GXSJLCMTSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840868 590248574 /nfs/dbraw/zinc/24/85/74/590248574.db2.gz YSGCYTZOGWMENA-MWLCHTKSSA-N 2 0 245.754 0.654 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000876848493 590249505 /nfs/dbraw/zinc/24/95/05/590249505.db2.gz SMIAJOPUPHEOET-MRVPVSSYSA-N 2 0 219.716 0.134 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856395 590250062 /nfs/dbraw/zinc/25/00/62/590250062.db2.gz NSLRLUINHBIRCG-CIUDSAMLSA-N 2 0 249.717 0.273 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000876869349 590251601 /nfs/dbraw/zinc/25/16/01/590251601.db2.gz DTUBAEAYBJLOLJ-AEJSXWLSSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000876913751 590256373 /nfs/dbraw/zinc/25/63/73/590256373.db2.gz KNYQQOVGRVLONP-NXEZZACHSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000876913754 590256379 /nfs/dbraw/zinc/25/63/79/590256379.db2.gz KNYQQOVGRVLONP-ZJUUUORDSA-N 2 0 245.754 0.652 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC000876949172 590259783 /nfs/dbraw/zinc/25/97/83/590259783.db2.gz ZUMRURHAQXPXMV-SECBINFHSA-N 2 0 245.754 0.702 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000876953122 590259973 /nfs/dbraw/zinc/25/99/73/590259973.db2.gz YQSIRJQGJCERED-GUBZILKMSA-N 2 0 245.754 0.795 20 30 BCEDRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000877104202 590284224 /nfs/dbraw/zinc/28/42/24/590284224.db2.gz FBFMGBQXXHFVLJ-ZJUUUORDSA-N 2 0 226.324 0.203 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000877173011 590293882 /nfs/dbraw/zinc/29/38/82/590293882.db2.gz WWEBCZOYUBFTMS-VGMNWLOBSA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000877173010 590294199 /nfs/dbraw/zinc/29/41/99/590294199.db2.gz WWEBCZOYUBFTMS-HLTSFMKQSA-N 2 0 231.727 0.404 20 30 BCEDRP C#CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123346 590698883 /nfs/dbraw/zinc/69/88/83/590698883.db2.gz DYNFVBKCBNFWEE-UHFFFAOYSA-N 2 0 224.348 0.910 20 30 BCEDRP COCC#CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880137767 590939555 /nfs/dbraw/zinc/93/95/55/590939555.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 0 222.332 0.805 20 30 BCEDRP N#CC1(C[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000885960572 592115592 /nfs/dbraw/zinc/11/55/92/592115592.db2.gz NDZIRYNKMVCKJQ-UPJWGTAASA-N 2 0 249.358 0.582 20 30 BCEDRP C#CCN1CCC[C@H](NC(NCC)=[NH+]CC)C1 ZINC000887324204 592480744 /nfs/dbraw/zinc/48/07/44/592480744.db2.gz VIVQGAHOPVYBLP-LBPRGKRZSA-N 2 0 236.363 0.659 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000104172356 592603335 /nfs/dbraw/zinc/60/33/35/592603335.db2.gz FGERWWSBPMLTBC-LLVKDONJSA-N 2 0 226.368 0.985 20 30 BCEDRP CCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304755390 635947420 /nfs/dbraw/zinc/94/74/20/635947420.db2.gz MRQSFRQEZOYTJQ-UHFFFAOYSA-N 2 0 242.367 0.412 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928561990 636109006 /nfs/dbraw/zinc/10/90/06/636109006.db2.gz BSXJGODEBXWBPD-ZDUSSCGKSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771472 633788999 /nfs/dbraw/zinc/78/89/99/633788999.db2.gz OZVKKBSHMTWXQF-NEPJUHHUSA-N 2 0 237.347 0.315 20 30 BCEDRP CCC[N@@H+]1CC[C@H](CNC(NC)=[NH+]C)C1 ZINC000303258223 636305313 /nfs/dbraw/zinc/30/53/13/636305313.db2.gz KNRVZCJYLXMQKB-SNVBAGLBSA-N 2 0 212.341 0.513 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987518667 636650276 /nfs/dbraw/zinc/65/02/76/636650276.db2.gz MRGLRWUBMXLZOM-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987518668 636651705 /nfs/dbraw/zinc/65/17/05/636651705.db2.gz MRGLRWUBMXLZOM-STQMWFEESA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797521 636881332 /nfs/dbraw/zinc/88/13/32/636881332.db2.gz YIXIUPZOENZGIU-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000908534164 639005002 /nfs/dbraw/zinc/00/50/02/639005002.db2.gz VLGIRXQZHUOZFI-UHFFFAOYSA-N 2 0 239.363 0.514 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624264 639685619 /nfs/dbraw/zinc/68/56/19/639685619.db2.gz QTCQALHFONCUNK-MNOVXSKESA-N 2 0 225.336 0.620 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708068 639760392 /nfs/dbraw/zinc/76/03/92/639760392.db2.gz TZYGKYHJUCOISO-NWDGAFQWSA-N 2 0 239.363 0.867 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CC1 ZINC000911752143 639780035 /nfs/dbraw/zinc/78/00/35/639780035.db2.gz LRHOECAPYHKXDZ-LLVKDONJSA-N 2 0 225.336 0.538 20 30 BCEDRP C#CCNCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911761335 639802576 /nfs/dbraw/zinc/80/25/76/639802576.db2.gz PAPAACDZRFUDNZ-UHFFFAOYSA-N 2 0 247.298 0.185 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802354 639824691 /nfs/dbraw/zinc/82/46/91/639824691.db2.gz JECCBAGPXGJFPX-WCQYABFASA-N 2 0 239.363 0.914 20 30 BCEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911861025 639849897 /nfs/dbraw/zinc/84/98/97/639849897.db2.gz ASYLJKNXWTUGTC-UHFFFAOYSA-N 2 0 237.347 0.057 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851437 639857889 /nfs/dbraw/zinc/85/78/89/639857889.db2.gz JCADCQQBIMTMOR-GHMZBOCLSA-N 2 0 225.336 0.620 20 30 BCEDRP C[C@H](CNC(=[NH2+])N(C)C)C[NH+]1CCCC1 ZINC000170906936 640936146 /nfs/dbraw/zinc/93/61/46/640936146.db2.gz JTVSPNJSQSRUGY-SNVBAGLBSA-N 2 0 212.341 0.595 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C)C[NH+]1CCCCC1 ZINC000170908876 640937373 /nfs/dbraw/zinc/93/73/73/640937373.db2.gz IHPYVTYALAQPMA-NSHDSACASA-N 2 0 226.368 0.985 20 30 BCEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N(C)C)C1 ZINC000170913351 640937980 /nfs/dbraw/zinc/93/79/80/640937980.db2.gz PGGQFRUUUDSFAA-JTQLQIEISA-N 2 0 212.341 0.595 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913633300 641444474 /nfs/dbraw/zinc/44/44/74/641444474.db2.gz CGOZZQDWGYELCM-UHFFFAOYSA-N 2 0 223.320 0.069 20 30 BCEDRP C#CCCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030961202 641527233 /nfs/dbraw/zinc/52/72/33/641527233.db2.gz RUQKZIIDFXJSMV-AAEUAGOBSA-N 2 0 249.358 0.008 20 30 BCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577701 642331612 /nfs/dbraw/zinc/33/16/12/642331612.db2.gz OJFZFUBJRCTVHH-LBPRGKRZSA-N 2 0 237.347 0.315 20 30 BCEDRP CN(C(=[NH2+])NCC1CC[NH+](C)CC1)C1CC1 ZINC000305815648 642701075 /nfs/dbraw/zinc/70/10/75/642701075.db2.gz MDBQXQRQJICLSZ-UHFFFAOYSA-N 2 0 224.352 0.737 20 30 BCEDRP C#CC[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000939208148 642859057 /nfs/dbraw/zinc/85/90/57/642859057.db2.gz BMQJGXCNAXZFGX-PWSUYJOCSA-N 2 0 246.314 0.022 20 30 BCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939755478 642890748 /nfs/dbraw/zinc/89/07/48/642890748.db2.gz QBGZNRCLCKLBHQ-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002153 642949657 /nfs/dbraw/zinc/94/96/57/642949657.db2.gz PUTQYOIVICXTQC-GFCCVEGCSA-N 2 0 249.358 0.459 20 30 BCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248625 642950890 /nfs/dbraw/zinc/95/08/90/642950890.db2.gz CGUAALGCDRLMSR-STQMWFEESA-N 2 0 249.358 0.152 20 30 BCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251551 642954439 /nfs/dbraw/zinc/95/44/39/642954439.db2.gz VSQCMSQMPHZFKE-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020301345 643066250 /nfs/dbraw/zinc/06/62/50/643066250.db2.gz YLZVOZKSKGDYEJ-JHJVBQTASA-N 2 0 249.358 0.341 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020925152 643338198 /nfs/dbraw/zinc/33/81/98/643338198.db2.gz IEQXNUZUTPUAOX-AVGNSLFASA-N 2 0 249.358 0.198 20 30 BCEDRP CC(C)NC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304736975 643591566 /nfs/dbraw/zinc/59/15/66/643591566.db2.gz AIZSUKMFZQOWPO-UHFFFAOYSA-N 2 0 200.330 0.687 20 30 BCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997296743 643608409 /nfs/dbraw/zinc/60/84/09/643608409.db2.gz BRGQFGYIQUWKEX-LBPRGKRZSA-N 2 0 249.358 0.152 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922156160 643874853 /nfs/dbraw/zinc/87/48/53/643874853.db2.gz LCNONTCGELYSQT-LBPRGKRZSA-N 2 0 239.363 0.705 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000922157117 643876542 /nfs/dbraw/zinc/87/65/42/643876542.db2.gz BBLCSGTVSYPXQP-LLVKDONJSA-N 2 0 225.336 0.315 20 30 BCEDRP C[NH+]=C(NCC1CC1)NC[C@@H]1CC[N@H+](C)C1 ZINC000080520517 644273600 /nfs/dbraw/zinc/27/36/00/644273600.db2.gz IFFROZMGVMQVCN-NSHDSACASA-N 2 0 224.352 0.513 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358652 644367871 /nfs/dbraw/zinc/36/78/71/644367871.db2.gz JKNZSSGQBGKFEB-RWMBFGLXSA-N 2 0 224.348 0.997 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411753 644413498 /nfs/dbraw/zinc/41/34/98/644413498.db2.gz RKAGFGQXRHSQMV-WOPDTQHZSA-N 2 0 212.337 0.840 20 30 BCEDRP N#Cc1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460894 644446846 /nfs/dbraw/zinc/44/68/46/644446846.db2.gz SYKMBDHUAVFJFP-UHFFFAOYSA-N 2 0 244.342 0.553 20 30 BCEDRP C=C(Cl)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460712 644447570 /nfs/dbraw/zinc/44/75/70/644447570.db2.gz PNYYIXVDMQIMAI-UHFFFAOYSA-N 2 0 203.717 0.234 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478508 644456556 /nfs/dbraw/zinc/45/65/56/644456556.db2.gz DAPUJSKDIBTKQF-RYUDHWBXSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958378895 644792699 /nfs/dbraw/zinc/79/26/99/644792699.db2.gz RKHKSSNRAKQYSD-QNWHQSFQSA-N 2 0 249.358 0.313 20 30 BCEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000303895824 644855801 /nfs/dbraw/zinc/85/58/01/644855801.db2.gz PQOYWGYTOPFMML-NEPJUHHUSA-N 2 0 238.379 0.985 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303901190 644856163 /nfs/dbraw/zinc/85/61/63/644856163.db2.gz SNPQVHOCWYVUCE-SNVBAGLBSA-N 2 0 212.341 0.595 20 30 BCEDRP CC[N@H+](CCNC(=[NH2+])N[C@H](C)COC)C1CC1 ZINC000303969843 644860509 /nfs/dbraw/zinc/86/05/09/644860509.db2.gz CFVDGCZXZSGUNW-SNVBAGLBSA-N 2 0 242.367 0.410 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000303977068 644861311 /nfs/dbraw/zinc/86/13/11/644861311.db2.gz KVFUTAVFRHPZNY-NSHDSACASA-N 2 0 242.367 0.364 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303969060 644861346 /nfs/dbraw/zinc/86/13/46/644861346.db2.gz BJHRUBWNUBRXFE-GHMZBOCLSA-N 2 0 244.383 0.656 20 30 BCEDRP CCO[C@H](CC[NH+](C)C)CNC(NC)=[NH+]C ZINC000304825749 644934890 /nfs/dbraw/zinc/93/48/90/644934890.db2.gz GQBGDYWKRASNDS-SNVBAGLBSA-N 2 0 230.356 0.138 20 30 BCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC1CC1 ZINC000304824753 644935083 /nfs/dbraw/zinc/93/50/83/644935083.db2.gz FZWZIDNTLADHLA-LLVKDONJSA-N 2 0 242.367 0.410 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877048817 645788752 /nfs/dbraw/zinc/78/87/52/645788752.db2.gz AHUQXFRJGKJDAV-BBBLOLIVSA-N 2 0 245.754 0.713 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925630540 646376479 /nfs/dbraw/zinc/37/64/79/646376479.db2.gz PPGWCXOWBXMYFX-VZKILSJISA-N 2 0 236.359 0.757 20 30 BCEDRP N#Cc1ccc(NCC[NH2+]C2CC[NH2+]CC2)nc1 ZINC000925892832 646534550 /nfs/dbraw/zinc/53/45/50/646534550.db2.gz GBZDRDWAUYNZLQ-UHFFFAOYSA-N 2 0 245.330 0.707 20 30 BCEDRP C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C1C[NH2+]C1 ZINC000925894310 646534606 /nfs/dbraw/zinc/53/46/06/646534606.db2.gz WXAMNEKMEPAAKC-SNVBAGLBSA-N 2 0 245.330 0.563 20 30 BCEDRP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000717840517 712691347 /nfs/dbraw/zinc/69/13/47/712691347.db2.gz IALSKDMUIUYDHR-XQQFMLRXSA-N 2 0 222.332 0.587 20 30 BCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661915 712011991 /nfs/dbraw/zinc/01/19/91/712011991.db2.gz NKEALMLVNZETBP-STQMWFEESA-N 2 0 249.358 0.104 20 30 BCEDRP C#CC1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000708099962 712181192 /nfs/dbraw/zinc/18/11/92/712181192.db2.gz AKQOHBDPOJTJCB-CYBMUJFWSA-N 2 0 236.359 0.931 20 30 BCEDRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[NH2+]1 ZINC000602554715 349596054 /nfs/dbraw/zinc/59/60/54/349596054.db2.gz OEKSKGXCTZAHRB-VWYCJHECSA-N 2 0 238.335 0.264 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000264095975 136281329 /nfs/dbraw/zinc/28/13/29/136281329.db2.gz MQHHHMQWDNEVRI-LLVKDONJSA-N 2 0 224.352 0.809 20 30 BCEDRP C=CCNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584113961 343759535 /nfs/dbraw/zinc/75/95/35/343759535.db2.gz TVZIYICJMCZVIW-CYBMUJFWSA-N 2 0 237.347 0.364 20 30 BCEDRP C=CCN1CC[C@H](N2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683890 323067037 /nfs/dbraw/zinc/06/70/37/323067037.db2.gz IKQVUMFYFOJHNX-SRVKXCTJSA-N 2 0 237.347 0.442 20 30 BCEDRP C=CCN1CC[C@H](N2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683893 323067143 /nfs/dbraw/zinc/06/71/43/323067143.db2.gz IKQVUMFYFOJHNX-WOPDTQHZSA-N 2 0 237.347 0.442 20 30 BCEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000600737489 344365484 /nfs/dbraw/zinc/36/54/84/344365484.db2.gz BCMAPVSPUMNYHB-YNEHKIRRSA-N 2 0 237.347 0.725 20 30 BCEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1 ZINC000580649699 365845225 /nfs/dbraw/zinc/84/52/25/365845225.db2.gz RMYOFAUCAMOKNM-ZDUSSCGKSA-N 2 0 231.299 0.636 20 30 BCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677581 347685295 /nfs/dbraw/zinc/68/52/95/347685295.db2.gz NWSDGECRGAEONP-GHMZBOCLSA-N 2 0 238.335 0.266 20 30 BCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426943 348043826 /nfs/dbraw/zinc/04/38/26/348043826.db2.gz RXMZYWYWTAUQNB-MNOVXSKESA-N 2 0 240.351 0.497 20 30 BCEDRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427011 348043848 /nfs/dbraw/zinc/04/38/48/348043848.db2.gz SEFTXICIPXWRBB-JTQLQIEISA-N 2 0 226.324 0.205 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000594426125 348051882 /nfs/dbraw/zinc/05/18/82/348051882.db2.gz NMGBUTZJMAGFFD-GHMZBOCLSA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594425600 348052293 /nfs/dbraw/zinc/05/22/93/348052293.db2.gz LNDVCALYBPQQFL-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000594425722 348052352 /nfs/dbraw/zinc/05/23/52/348052352.db2.gz MNRXBJQTZKBNCY-QWRGUYRKSA-N 2 0 238.335 0.251 20 30 BCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000594426652 348053100 /nfs/dbraw/zinc/05/31/00/348053100.db2.gz QMCXMFKZERSYEJ-WDEREUQCSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438084 348053906 /nfs/dbraw/zinc/05/39/06/348053906.db2.gz GCMYDHQXDYABDQ-ZJUUUORDSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@@H](C[NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438225 348054266 /nfs/dbraw/zinc/05/42/66/348054266.db2.gz HWVKUVIAZXZURE-VHSXEESVSA-N 2 0 226.324 0.109 20 30 BCEDRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594442734 348054948 /nfs/dbraw/zinc/05/49/48/348054948.db2.gz UBBBDLXNINLVBH-GHMZBOCLSA-N 2 0 240.351 0.512 20 30 BCEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@H](O)C[NH3+] ZINC000595892660 348390933 /nfs/dbraw/zinc/39/09/33/348390933.db2.gz OAGIHNBUSVSREO-CYBMUJFWSA-N 2 0 233.315 0.352 20 30 BCEDRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000595951995 348403612 /nfs/dbraw/zinc/40/36/12/348403612.db2.gz VHLNABUEKGTKHU-MNOVXSKESA-N 2 0 240.351 0.497 20 30 BCEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599085279 349089992 /nfs/dbraw/zinc/08/99/92/349089992.db2.gz OIPFYQZLTIEGGD-IJLUTSLNSA-N 2 0 223.320 0.335 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262679376 535127346 /nfs/dbraw/zinc/12/73/46/535127346.db2.gz VLFMTWFCIQXAJU-NEPJUHHUSA-N 2 0 238.379 0.902 20 30 BCEDRP C#CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958553 350872080 /nfs/dbraw/zinc/87/20/80/350872080.db2.gz QFCZXAXQDMTAAI-UHFFFAOYSA-N 2 0 222.332 0.664 20 30 BCEDRP CCCCNC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000271824762 351439278 /nfs/dbraw/zinc/43/92/78/351439278.db2.gz PQXLFOJRUZZDBA-UHFFFAOYSA-N 2 0 224.352 0.953 20 30 BCEDRP C=CC[C@]1(C(=O)N(CC)CC[NH3+])CCC[NH2+]1 ZINC000638513839 352338930 /nfs/dbraw/zinc/33/89/30/352338930.db2.gz WGYZJXPQWLHQMA-GFCCVEGCSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000638792646 352754322 /nfs/dbraw/zinc/75/43/22/352754322.db2.gz PUOQDCIDPDPMTR-ZYHUDNBSSA-N 2 0 223.320 0.163 20 30 BCEDRP C#CCC[NH+]1CCN(CCn2ccnc2)CC1 ZINC000162486210 353322432 /nfs/dbraw/zinc/32/24/32/353322432.db2.gz PLZVMYDPYKEZJM-UHFFFAOYSA-N 2 0 232.331 0.524 20 30 BCEDRP C#CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367117784 355956969 /nfs/dbraw/zinc/95/69/69/355956969.db2.gz SWCZMQSYNVBYOY-AWEZNQCLSA-N 2 0 235.375 0.579 20 30 BCEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000104172212 134159311 /nfs/dbraw/zinc/15/93/11/134159311.db2.gz UIJMQIMGPRTZGZ-LLVKDONJSA-N 2 0 224.352 0.643 20 30 BCEDRP C=C(C)[C@@H](CO)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767407 356696599 /nfs/dbraw/zinc/69/65/99/356696599.db2.gz QYZDYHGDUWILIG-OLZOCXBDSA-N 2 0 242.363 0.312 20 30 BCEDRP C=CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371769 358439021 /nfs/dbraw/zinc/43/90/21/358439021.db2.gz NIYZBZSRANLQGL-ZDUSSCGKSA-N 2 0 223.364 0.884 20 30 BCEDRP C#CCNC(N[C@H]1CCN(C2CC2)C1)=[NH+]C ZINC000083100554 359785646 /nfs/dbraw/zinc/78/56/46/359785646.db2.gz XSSGFBQEYWUSJA-JTQLQIEISA-N 2 0 220.320 0.021 20 30 BCEDRP C#CCNC(NC[C@H]1CCC[N@@H+]1CC)=[NH+]CC ZINC000073675574 368813426 /nfs/dbraw/zinc/81/34/26/368813426.db2.gz WCTNVJHFZVUZSC-GFCCVEGCSA-N 2 0 236.363 0.659 20 30 BCEDRP N#Cc1ccc(CN[C@@H](C[NH3+])C2CC2)o1 ZINC000600769766 369563924 /nfs/dbraw/zinc/56/39/24/369563924.db2.gz QVEPLXPYPARPPM-NSHDSACASA-N 2 0 205.261 0.978 20 30 BCEDRP C=CCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000414891263 205779762 /nfs/dbraw/zinc/77/97/62/205779762.db2.gz WJMHMWPAJNFHTJ-LBPRGKRZSA-N 2 0 211.353 0.836 20 30 BCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424192477 206035286 /nfs/dbraw/zinc/03/52/86/206035286.db2.gz IXWYVGGYXJDAKW-ZJUUUORDSA-N 2 0 240.351 0.497 20 30 BCEDRP C#CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000491497718 385045510 /nfs/dbraw/zinc/04/55/10/385045510.db2.gz ZNWYBTKCSSUEKI-UHFFFAOYSA-N 2 0 211.353 0.435 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000171801561 385518735 /nfs/dbraw/zinc/51/87/35/385518735.db2.gz TWAGQSRTCUPUGE-NSHDSACASA-N 2 0 224.352 0.951 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(NCC)=[NH+]CC ZINC000395549425 387016854 /nfs/dbraw/zinc/01/68/54/387016854.db2.gz BMBANHQLYKCXCC-UHFFFAOYSA-N 2 0 224.352 0.517 20 30 BCEDRP C[NH+](C)CCOCC[NH2+]C[C@H](C#N)CCC#N ZINC000515234361 387351916 /nfs/dbraw/zinc/35/19/16/387351916.db2.gz ILDKSWOWAAGZJO-LBPRGKRZSA-N 2 0 238.335 0.598 20 30 BCEDRP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424075949 387478664 /nfs/dbraw/zinc/47/86/64/387478664.db2.gz KOFPPAFGGQVFKQ-WDEREUQCSA-N 2 0 240.351 0.641 20 30 BCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424078821 387479987 /nfs/dbraw/zinc/47/99/87/387479987.db2.gz QGOOXPYOIBDAGL-ZJUUUORDSA-N 2 0 226.324 0.107 20 30 BCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424078819 387480886 /nfs/dbraw/zinc/48/08/86/387480886.db2.gz QGOOXPYOIBDAGL-UWVGGRQHSA-N 2 0 226.324 0.107 20 30 BCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424152131 387799385 /nfs/dbraw/zinc/79/93/85/387799385.db2.gz IKQYJYQOQMCXGH-ZJUUUORDSA-N 2 0 226.324 0.074 20 30 BCEDRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424152140 387800183 /nfs/dbraw/zinc/80/01/83/387800183.db2.gz INKWNXIAJGKYOV-MNOVXSKESA-N 2 0 240.351 0.464 20 30 BCEDRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424157462 387827181 /nfs/dbraw/zinc/82/71/81/387827181.db2.gz RFRJAHQZZZYEFD-SNVBAGLBSA-N 2 0 226.324 0.123 20 30 BCEDRP CCC[NH2+]CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424157461 387827381 /nfs/dbraw/zinc/82/73/81/387827381.db2.gz RFRJAHQZZZYEFD-JTQLQIEISA-N 2 0 226.324 0.123 20 30 BCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424164599 387847884 /nfs/dbraw/zinc/84/78/84/387847884.db2.gz XFBMCKSYJXTPLK-AXFHLTTASA-N 2 0 238.335 0.264 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCC(=C)C ZINC000491454444 388295767 /nfs/dbraw/zinc/29/57/67/388295767.db2.gz YWVNISYPHKSTLJ-UHFFFAOYSA-N 2 0 222.336 0.632 20 30 BCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491676601 388310188 /nfs/dbraw/zinc/31/01/88/388310188.db2.gz OTIXKDOHEAQWCW-LBPRGKRZSA-N 2 0 249.358 0.200 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000491776690 388319937 /nfs/dbraw/zinc/31/99/37/388319937.db2.gz FAIVIZTYRDVBPV-NSHDSACASA-N 2 0 240.351 0.090 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)COC ZINC000491776687 388320016 /nfs/dbraw/zinc/32/00/16/388320016.db2.gz FAIVIZTYRDVBPV-LLVKDONJSA-N 2 0 240.351 0.090 20 30 BCEDRP C#C[C@H](C)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)C#C ZINC000491121368 388270988 /nfs/dbraw/zinc/27/09/88/388270988.db2.gz QKKSHFFTNDXOSP-KBPBESRZSA-N 2 0 216.328 0.897 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000083907659 135460346 /nfs/dbraw/zinc/46/03/46/135460346.db2.gz KTBRDZNCGJGWGZ-VIFPVBQESA-N 2 0 211.309 0.100 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000291806581 133573120 /nfs/dbraw/zinc/57/31/20/133573120.db2.gz BCDSQAQHEWXWJR-SNVBAGLBSA-N 2 0 212.341 0.665 20 30 BCEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000104172216 134159123 /nfs/dbraw/zinc/15/91/23/134159123.db2.gz UIJMQIMGPRTZGZ-NSHDSACASA-N 2 0 224.352 0.643 20 30 BCEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000104172210 134159227 /nfs/dbraw/zinc/15/92/27/134159227.db2.gz QEEISLAIWXTDDW-JTQLQIEISA-N 2 0 212.341 0.417 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000264323739 135138359 /nfs/dbraw/zinc/13/83/59/135138359.db2.gz YDRIOENITKTIBG-SECBINFHSA-N 2 0 210.325 0.559 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CCC2)N1 ZINC000261536949 135173441 /nfs/dbraw/zinc/17/34/41/135173441.db2.gz UHWOHDKVANKJIQ-SECBINFHSA-N 2 0 210.325 0.408 20 30 BCEDRP CN1CC[NH+]=C1NCC[NH+]1CCCCC1 ZINC000261537196 135174147 /nfs/dbraw/zinc/17/41/47/135174147.db2.gz VEDWYSSCZFELLA-UHFFFAOYSA-N 2 0 210.325 0.363 20 30 BCEDRP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@H+](C)C1CC1 ZINC000261538354 135175844 /nfs/dbraw/zinc/17/58/44/135175844.db2.gz XVBYDHJRKHJZES-BDAKNGLRSA-N 2 0 210.325 0.406 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC[NH+]2CCC(C)CC2)N1 ZINC000261582075 135221966 /nfs/dbraw/zinc/22/19/66/135221966.db2.gz OBYJNFDPBFYRQH-NSHDSACASA-N 2 0 224.352 0.656 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122353056 135227287 /nfs/dbraw/zinc/22/72/87/135227287.db2.gz VFVASVZQLOTKPM-GARJFASQSA-N 2 0 225.336 0.346 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000262524934 135304225 /nfs/dbraw/zinc/30/42/25/135304225.db2.gz KLBYYAMUJMDQJQ-LLVKDONJSA-N 2 0 224.352 0.928 20 30 BCEDRP CN1CC[NH+]=C1NCC1CC[NH+](C2CC2)CC1 ZINC000262660256 135311934 /nfs/dbraw/zinc/31/19/34/135311934.db2.gz MTCHAJUBVFWROH-UHFFFAOYSA-N 2 0 236.363 0.752 20 30 BCEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263097657 135332429 /nfs/dbraw/zinc/33/24/29/135332429.db2.gz JNYNGRHNLYGUDO-NSHDSACASA-N 2 0 224.352 0.881 20 30 BCEDRP C#C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000491671003 398058451 /nfs/dbraw/zinc/05/84/51/398058451.db2.gz WBOSCDDDURRINQ-YNEHKIRRSA-N 2 0 222.332 0.709 20 30 BCEDRP C#C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000491670999 398058549 /nfs/dbraw/zinc/05/85/49/398058549.db2.gz WBOSCDDDURRINQ-RWMBFGLXSA-N 2 0 222.332 0.709 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CCC[NH2+]1 ZINC000662821600 409935063 /nfs/dbraw/zinc/93/50/63/409935063.db2.gz NHWSOBSFDFPVPU-GMXVVIOVSA-N 2 0 239.363 0.927 20 30 BCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000424388794 411249410 /nfs/dbraw/zinc/24/94/10/411249410.db2.gz ZQGKLJVVWQKQJO-NHCYSSNCSA-N 2 0 210.321 0.775 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000662389231 412139720 /nfs/dbraw/zinc/13/97/20/412139720.db2.gz UEWLMCNQXLQPMB-YPMHNXCESA-N 2 0 237.347 0.634 20 30 BCEDRP C=CC[C@@]1(C(=O)NC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662389821 412141766 /nfs/dbraw/zinc/14/17/66/412141766.db2.gz FSFUJOIRODDWHT-ZDUSSCGKSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665263383 412206001 /nfs/dbraw/zinc/20/60/01/412206001.db2.gz LNNCUTXUNDVYTC-FRRDWIJNSA-N 2 0 242.363 0.921 20 30 BCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662406709 412151669 /nfs/dbraw/zinc/15/16/69/412151669.db2.gz IVGCPKHCVRBRFX-WCQYABFASA-N 2 0 237.347 0.492 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662406707 412151791 /nfs/dbraw/zinc/15/17/91/412151791.db2.gz IVGCPKHCVRBRFX-AAEUAGOBSA-N 2 0 237.347 0.492 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[NH2+]CC)CCC[NH2+]1 ZINC000662410312 412154998 /nfs/dbraw/zinc/15/49/98/412154998.db2.gz XZYYDDFCQBUCHO-LBPRGKRZSA-N 2 0 225.336 0.410 20 30 BCEDRP C=CC[C@]1(C(=O)N(C)CCC[NH3+])CCC[NH2+]1 ZINC000662420138 412161868 /nfs/dbraw/zinc/16/18/68/412161868.db2.gz CUNYGODYJZDGEV-GFCCVEGCSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H](C)C[NH3+])CCC[NH2+]1 ZINC000662758072 412293003 /nfs/dbraw/zinc/29/30/03/412293003.db2.gz QQGALMVUHPVVJB-PWSUYJOCSA-N 2 0 225.336 0.396 20 30 BCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[NH2+]CC)CCC[NH2+]1 ZINC000662772666 412298346 /nfs/dbraw/zinc/29/83/46/412298346.db2.gz CRPWFNOHHNKSNI-DGCLKSJQSA-N 2 0 239.363 0.799 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]([NH3+])CC)CCC[NH2+]1 ZINC000662781820 412300975 /nfs/dbraw/zinc/30/09/75/412300975.db2.gz HCMNLAKCRRFPEU-PWSUYJOCSA-N 2 0 225.336 0.538 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000876857316 590250266 /nfs/dbraw/zinc/25/02/66/590250266.db2.gz AYAWPXRAIQMQOX-RKDXNWHRSA-N 2 0 233.743 0.700 20 30 BCEDRP N#CCCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600720436 487928113 /nfs/dbraw/zinc/92/81/13/487928113.db2.gz HCXAWTLXSCSKDF-GFCCVEGCSA-N 2 0 225.336 0.727 20 30 BCEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000395732906 323239830 /nfs/dbraw/zinc/23/98/30/323239830.db2.gz OZFUEJCGBOFJES-LBPRGKRZSA-N 2 0 237.347 0.009 20 30 BCEDRP CCC[N@@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262679066 534949187 /nfs/dbraw/zinc/94/91/87/534949187.db2.gz VHLDOZLDOAWPHF-LLVKDONJSA-N 2 0 224.352 0.609 20 30 BCEDRP CC[NH+]=C(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)N(C)C ZINC000261958604 535265012 /nfs/dbraw/zinc/26/50/12/535265012.db2.gz JNGOAQBPUWECGC-CMPLNLGQSA-N 2 0 238.379 0.996 20 30 BCEDRP CC1CC[NH+](CCNC2=[NH+]CCN2C)CC1 ZINC000261598406 535275019 /nfs/dbraw/zinc/27/50/19/535275019.db2.gz ZMRBRFFRFVUWHO-UHFFFAOYSA-N 2 0 224.352 0.609 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCF ZINC000262787082 535549622 /nfs/dbraw/zinc/54/96/22/535549622.db2.gz JVMKGDHGOAOEDV-SECBINFHSA-N 2 0 216.304 0.345 20 30 BCEDRP C[NH+](C)Cc1cc(CNC(N)=[NH2+])ccc1F ZINC000304227805 535987855 /nfs/dbraw/zinc/98/78/55/535987855.db2.gz LVIQYADPSHBSHS-UHFFFAOYSA-N 2 0 224.283 0.661 20 30 BCEDRP C[C@H]1C[NH+]=C(NN=Cc2cnc3n2CCC3)N1 ZINC000853330205 588733780 /nfs/dbraw/zinc/73/37/80/588733780.db2.gz KOBOLSNQVRWGQI-QMMMGPOBSA-N 2 0 232.291 0.101 20 30 BCEDRP C=CCNC(=[NH2+])NCC[N@@H+](C)CCCC ZINC000112495737 588800539 /nfs/dbraw/zinc/80/05/39/588800539.db2.gz JUABVVUAAHKLBD-UHFFFAOYSA-N 2 0 212.341 0.809 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855415655 588832096 /nfs/dbraw/zinc/83/20/96/588832096.db2.gz LMKAGDFNICKIRL-LLVKDONJSA-N 2 0 227.352 0.561 20 30 BCEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892313375 582837286 /nfs/dbraw/zinc/83/72/86/582837286.db2.gz DOPQLQDJHQHMCA-UHFFFAOYSA-N 2 0 245.326 0.719 20 30 BCEDRP CCNC(NC[C@@H](C[NH+](C)C)OCC)=[NH+]CC ZINC000899261822 584190014 /nfs/dbraw/zinc/19/00/14/584190014.db2.gz AWODGSGAAYAYRB-NSHDSACASA-N 2 0 244.383 0.528 20 30 BCEDRP C[N@H+](C[C@@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454056 584772843 /nfs/dbraw/zinc/77/28/43/584772843.db2.gz STTAMVXYWIVHGF-MCIGGMRASA-N 2 0 225.336 0.568 20 30 BCEDRP N#Cc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904396114 584875439 /nfs/dbraw/zinc/87/54/39/584875439.db2.gz LKTNNJKWQZXISF-UHFFFAOYSA-N 2 0 244.342 0.553 20 30 BCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754795143 585291036 /nfs/dbraw/zinc/29/10/36/585291036.db2.gz LQQLCEMVWYVXTB-QWHCGFSZSA-N 2 0 249.358 0.342 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NCC[NH+](CC)CC ZINC000763874265 585455792 /nfs/dbraw/zinc/45/57/92/585455792.db2.gz HATLFXWLLDQFTH-UHFFFAOYSA-N 2 0 227.352 0.562 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000764478678 585466248 /nfs/dbraw/zinc/46/62/48/585466248.db2.gz IRFHTVCSRVGFAM-NSHDSACASA-N 2 0 239.363 0.703 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000774095662 585650286 /nfs/dbraw/zinc/65/02/86/585650286.db2.gz LIZWJDXZNHGKML-UHFFFAOYSA-N 2 0 237.347 0.411 20 30 BCEDRP C#CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778951017 585742709 /nfs/dbraw/zinc/74/27/09/585742709.db2.gz PWEDGNMRDJYZEH-UHFFFAOYSA-N 2 0 223.364 0.579 20 30 BCEDRP Cc1nn(-c2cc[nH+]cc2)cc1C=NNC(N)=[NH2+] ZINC000783824325 585844293 /nfs/dbraw/zinc/84/42/93/585844293.db2.gz QGJYDEFKYHOITK-UHFFFAOYSA-N 2 0 243.274 0.393 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817676014 586817776 /nfs/dbraw/zinc/81/77/76/586817776.db2.gz BKWRHMQGANECCK-LBPRGKRZSA-N 2 0 239.363 0.657 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000836849775 587839810 /nfs/dbraw/zinc/83/98/10/587839810.db2.gz SLZMKEGIQZTFEV-NWDGAFQWSA-N 2 0 237.347 0.267 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]CC)CC1 ZINC000844183389 588172112 /nfs/dbraw/zinc/17/21/12/588172112.db2.gz YQESMZIQUFDUSB-UHFFFAOYSA-N 2 0 225.336 0.363 20 30 BCEDRP C[C@@H]1CNC(NN=C2CCC[N@@H+]3CCCC[C@@H]23)=[NH+]1 ZINC000848408210 588379234 /nfs/dbraw/zinc/37/92/34/588379234.db2.gz GUUOYFFOXCAZJO-PWSUYJOCSA-N 2 0 249.362 0.928 20 30 BCEDRP C[NH+]=C(NCC(C)(C)C[NH+](C)C)NC1CC1 ZINC000848981023 588423742 /nfs/dbraw/zinc/42/37/42/588423742.db2.gz WTZQQIDCPSOWRH-UHFFFAOYSA-N 2 0 226.368 0.902 20 30 BCEDRP C[NH+]=C(NCCCC[NH+](C)C)NC1CC1 ZINC000848990051 588426696 /nfs/dbraw/zinc/42/66/96/588426696.db2.gz VJAPVHRWURBBKG-UHFFFAOYSA-N 2 0 212.341 0.656 20 30 BCEDRP COCC[N@H+](C)CCCNC1=[NH+]CCCN1C ZINC000848993307 588427801 /nfs/dbraw/zinc/42/78/01/588427801.db2.gz XXGVIHSBFUJCGC-UHFFFAOYSA-N 2 0 242.367 0.236 20 30 BCEDRP CNC(NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000849050157 588451937 /nfs/dbraw/zinc/45/19/37/588451937.db2.gz YLPXXKZOSRMTEK-GARJFASQSA-N 2 0 242.367 0.279 20 30 BCEDRP C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852861776 588709309 /nfs/dbraw/zinc/70/93/09/588709309.db2.gz JJLKWVXUEOQBBB-ZDUSSCGKSA-N 2 0 249.358 0.200 20 30 BCEDRP [NH3+][C@H]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852878371 588710590 /nfs/dbraw/zinc/71/05/90/588710590.db2.gz JHEWDLANPPUQIX-STQMWFEESA-N 2 0 249.358 0.376 20 30 BCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852882286 588711196 /nfs/dbraw/zinc/71/11/96/588711196.db2.gz BTHVKCPJMUYPCK-LBPRGKRZSA-N 2 0 249.358 0.246 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864466927 589371192 /nfs/dbraw/zinc/37/11/92/589371192.db2.gz NYARBUIGGGELHP-UHFFFAOYSA-N 2 0 236.363 0.856 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000876514655 590206638 /nfs/dbraw/zinc/20/66/38/590206638.db2.gz GOZFCSSFZPBLIK-IUCAKERBSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH2+]CC1 ZINC000876502723 590201029 /nfs/dbraw/zinc/20/10/29/590201029.db2.gz LLUOQQKSYIMCAD-SECBINFHSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876504648 590203922 /nfs/dbraw/zinc/20/39/22/590203922.db2.gz RQXNCGWVGKMNNK-RKDXNWHRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000876506700 590204483 /nfs/dbraw/zinc/20/44/83/590204483.db2.gz YHDUYHYPJGGURE-SECBINFHSA-N 2 0 231.727 0.278 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876513256 590206012 /nfs/dbraw/zinc/20/60/12/590206012.db2.gz JFLKXDMRSAJDMR-VHSXEESVSA-N 2 0 245.754 0.572 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515815 590206612 /nfs/dbraw/zinc/20/66/12/590206612.db2.gz XZGIMEHQPJGCRH-NXEZZACHSA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000876517935 590207098 /nfs/dbraw/zinc/20/70/98/590207098.db2.gz HHAFOEOWXMOYQT-VHSXEESVSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH2+]C(C)C ZINC000876524964 590208372 /nfs/dbraw/zinc/20/83/72/590208372.db2.gz YCRINEYETRSBKG-JTQLQIEISA-N 2 0 247.770 0.961 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528062 590208875 /nfs/dbraw/zinc/20/88/75/590208875.db2.gz JTXJFHIJEAPARH-RKDXNWHRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000876534356 590210687 /nfs/dbraw/zinc/21/06/87/590210687.db2.gz AYZWWTHSXGAUDQ-ONGXEEELSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CC[NH+](C)C ZINC000876738532 590232971 /nfs/dbraw/zinc/23/29/71/590232971.db2.gz GFCZOEXBMDGNSR-ZJUUUORDSA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000876789934 590241517 /nfs/dbraw/zinc/24/15/17/590241517.db2.gz NNAUBWXEIDYGDT-VIFPVBQESA-N 2 0 231.727 0.230 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC000876810625 590245550 /nfs/dbraw/zinc/24/55/50/590245550.db2.gz XDPJLRXGEGTBAJ-SNVBAGLBSA-N 2 0 243.738 0.492 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827083 590246086 /nfs/dbraw/zinc/24/60/86/590246086.db2.gz LJZADJRUANDJJS-VIFPVBQESA-N 2 0 245.754 0.796 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000876835524 590246607 /nfs/dbraw/zinc/24/66/07/590246607.db2.gz XJTVHLSAOIVEOJ-GUBZILKMSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])CC ZINC000876863554 590251135 /nfs/dbraw/zinc/25/11/35/590251135.db2.gz GRNRALZQSVQBIA-SFYZADRCSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000876869352 590251631 /nfs/dbraw/zinc/25/16/31/590251631.db2.gz DTUBAEAYBJLOLJ-GUBZILKMSA-N 2 0 245.754 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000876977246 590263916 /nfs/dbraw/zinc/26/39/16/590263916.db2.gz SVLORGRYDQIIHR-ZJUUUORDSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980518 590264389 /nfs/dbraw/zinc/26/43/89/590264389.db2.gz IGQAYKLBSONWSV-PSASIEDQSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109140 590286953 /nfs/dbraw/zinc/28/69/53/590286953.db2.gz AFFVXNYXTQZOOO-DJLDLDEBSA-N 2 0 231.727 0.323 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171588 590293294 /nfs/dbraw/zinc/29/32/94/590293294.db2.gz CCPNEAWZPUTYDJ-KXUCPTDWSA-N 2 0 243.738 0.419 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000134119812 591888669 /nfs/dbraw/zinc/88/86/69/591888669.db2.gz QEEAWBFMDMTKCC-LLVKDONJSA-N 2 0 226.368 0.841 20 30 BCEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000884362012 591915277 /nfs/dbraw/zinc/91/52/77/591915277.db2.gz CYFNMNZJUIFKMM-RYUDHWBXSA-N 2 0 249.358 0.231 20 30 BCEDRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000884362013 591915684 /nfs/dbraw/zinc/91/56/84/591915684.db2.gz CYFNMNZJUIFKMM-VXGBXAGGSA-N 2 0 249.358 0.231 20 30 BCEDRP C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)CC)C1 ZINC000886365672 592219331 /nfs/dbraw/zinc/21/93/31/592219331.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 2 0 224.348 0.644 20 30 BCEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000104172361 592603409 /nfs/dbraw/zinc/60/34/09/592603409.db2.gz FGERWWSBPMLTBC-NSHDSACASA-N 2 0 226.368 0.985 20 30 BCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+](C)C1CC1 ZINC000104192935 592604841 /nfs/dbraw/zinc/60/48/41/592604841.db2.gz SOYAKQDPLFKRLH-SNVBAGLBSA-N 2 0 240.351 0.116 20 30 BCEDRP CCOCCCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000178566600 635511498 /nfs/dbraw/zinc/51/14/98/635511498.db2.gz MFKJSFXIOKKAFZ-UHFFFAOYSA-N 2 0 244.383 0.705 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001022710932 631804917 /nfs/dbraw/zinc/80/49/17/631804917.db2.gz PQBJXZFCUSSRID-RWMBFGLXSA-N 2 0 249.358 0.341 20 30 BCEDRP CNC(NCC[C@@H]1CCC[N@H+](C)C1)=[NH+]C ZINC000849041151 632035088 /nfs/dbraw/zinc/03/50/88/632035088.db2.gz LVGWPDRKNMELSO-JTQLQIEISA-N 2 0 212.341 0.513 20 30 BCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170910529 633177349 /nfs/dbraw/zinc/17/73/49/633177349.db2.gz RWVONTPADVYYRL-SNVBAGLBSA-N 2 0 212.341 0.595 20 30 BCEDRP N#CCN1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925608598 634144248 /nfs/dbraw/zinc/14/42/48/634144248.db2.gz FZHMGWMIKNSOKC-CHWSQXEVSA-N 2 0 248.374 0.834 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407154 635219496 /nfs/dbraw/zinc/21/94/96/635219496.db2.gz WEWBSBTZMYRJGD-CYBMUJFWSA-N 2 0 249.358 0.248 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797523 636881905 /nfs/dbraw/zinc/88/19/05/636881905.db2.gz YIXIUPZOENZGIU-OLZOCXBDSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651897 639706470 /nfs/dbraw/zinc/70/64/70/639706470.db2.gz GVYFGTUFURIYRI-NXEZZACHSA-N 2 0 211.309 0.230 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000911656833 639712472 /nfs/dbraw/zinc/71/24/72/639712472.db2.gz WCQIAMCOCMAEQW-LLVKDONJSA-N 2 0 225.336 0.492 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736704 639762837 /nfs/dbraw/zinc/76/28/37/639762837.db2.gz MQKUXZGTGICXHG-VXGBXAGGSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736603 639762870 /nfs/dbraw/zinc/76/28/70/639762870.db2.gz MQKUXZGTGICXHG-RYUDHWBXSA-N 2 0 239.363 0.880 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738136 639764488 /nfs/dbraw/zinc/76/44/88/639764488.db2.gz GVYFGTUFURIYRI-VHSXEESVSA-N 2 0 211.309 0.230 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751405 639777636 /nfs/dbraw/zinc/77/76/36/639777636.db2.gz JTRZRILEEXZKJI-GHMZBOCLSA-N 2 0 225.336 0.538 20 30 BCEDRP C#CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911764941 639790499 /nfs/dbraw/zinc/79/04/99/639790499.db2.gz QDJALLXHUGWDCS-GFCCVEGCSA-N 2 0 231.299 0.025 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911812730 639834085 /nfs/dbraw/zinc/83/40/85/639834085.db2.gz VEJIICFWWHQQLZ-WDEREUQCSA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH2+]CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911871074 639852636 /nfs/dbraw/zinc/85/26/36/639852636.db2.gz RDOFDYMSYSTRQT-NSHDSACASA-N 2 0 225.336 0.041 20 30 BCEDRP C#CC[NH2+]CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911871072 639853351 /nfs/dbraw/zinc/85/33/51/639853351.db2.gz RDOFDYMSYSTRQT-LLVKDONJSA-N 2 0 225.336 0.041 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000911850071 639858567 /nfs/dbraw/zinc/85/85/67/639858567.db2.gz YOSMBFHLDWHZKK-LBPRGKRZSA-N 2 0 241.379 0.807 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000912394636 640050436 /nfs/dbraw/zinc/05/04/36/640050436.db2.gz UWHXCXVQWHJVCK-GFCCVEGCSA-N 2 0 241.379 0.951 20 30 BCEDRP C#CCNC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933733176 640756410 /nfs/dbraw/zinc/75/64/10/640756410.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 2 0 249.358 0.009 20 30 BCEDRP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000170913295 640938518 /nfs/dbraw/zinc/93/85/18/640938518.db2.gz VOOLKOGVMWIIME-QWRGUYRKSA-N 2 0 226.368 0.983 20 30 BCEDRP CCNC(NCC[NH+]1CCCC1)=[NH+]CC ZINC000171145383 640959168 /nfs/dbraw/zinc/95/91/68/640959168.db2.gz AIIFTANWZKKXCQ-UHFFFAOYSA-N 2 0 212.341 0.657 20 30 BCEDRP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCC1 ZINC000933296946 642506156 /nfs/dbraw/zinc/50/61/56/642506156.db2.gz SOEGUJPQLLUWEJ-GFCCVEGCSA-N 2 0 224.348 0.835 20 30 BCEDRP CNC(NC[C@H]1CC[N@H+](CC(C)C)C1)=[NH+]C ZINC000305045908 642635206 /nfs/dbraw/zinc/63/52/06/642635206.db2.gz XXKIQPMHUDBZMH-LLVKDONJSA-N 2 0 226.368 0.759 20 30 BCEDRP CN(C(=[NH2+])NC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000305832367 642704449 /nfs/dbraw/zinc/70/44/49/642704449.db2.gz VAVLNHAXJHSANK-SNVBAGLBSA-N 2 0 224.352 0.737 20 30 BCEDRP CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305836264 642704508 /nfs/dbraw/zinc/70/45/08/642704508.db2.gz WWAHYPYRXHOQPY-JTQLQIEISA-N 2 0 212.341 0.785 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912991 642822004 /nfs/dbraw/zinc/82/20/04/642822004.db2.gz ZNJDGROTHRHMBY-CHWSQXEVSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000939208146 642858580 /nfs/dbraw/zinc/85/85/80/642858580.db2.gz BMQJGXCNAXZFGX-CMPLNLGQSA-N 2 0 246.314 0.022 20 30 BCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010381847 642863861 /nfs/dbraw/zinc/86/38/61/642863861.db2.gz DFDURQWITNOMDZ-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002154 642949630 /nfs/dbraw/zinc/94/96/30/642949630.db2.gz PUTQYOIVICXTQC-LBPRGKRZSA-N 2 0 249.358 0.459 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018629019 643003093 /nfs/dbraw/zinc/00/30/93/643003093.db2.gz XLYFVHINFPCGFV-NWDGAFQWSA-N 2 0 237.347 0.457 20 30 BCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020588453 643220949 /nfs/dbraw/zinc/22/09/49/643220949.db2.gz BDUVJMJHQDGDBY-JHJVBQTASA-N 2 0 249.358 0.198 20 30 BCEDRP CNC(NCC[NH+](C(C)C)C(C)C)=[NH+]C ZINC000303265513 643580530 /nfs/dbraw/zinc/58/05/30/643580530.db2.gz UQFIBDUQFJUQJP-UHFFFAOYSA-N 2 0 214.357 0.900 20 30 BCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921154 643799480 /nfs/dbraw/zinc/79/94/80/643799480.db2.gz XHLHZDFVVFZLTN-CHWSQXEVSA-N 2 0 249.358 0.152 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923332313 644355244 /nfs/dbraw/zinc/35/52/44/644355244.db2.gz KXVDLGHCKBKGAY-ZDEQEGDKSA-N 2 0 224.348 0.983 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331772 644361240 /nfs/dbraw/zinc/36/12/40/644361240.db2.gz ICOQCNZZCFCRBG-STQMWFEESA-N 2 0 224.348 0.999 20 30 BCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358649 644367031 /nfs/dbraw/zinc/36/70/31/644367031.db2.gz JKNZSSGQBGKFEB-AGIUHOORSA-N 2 0 224.348 0.997 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355539 644373204 /nfs/dbraw/zinc/37/32/04/644373204.db2.gz NJGDIQXRUZEMFH-NEPJUHHUSA-N 2 0 212.337 0.984 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCOC ZINC000303267140 644813814 /nfs/dbraw/zinc/81/38/14/644813814.db2.gz WUXMLVIFLZLYNC-SNVBAGLBSA-N 2 0 230.356 0.267 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303863955 644851727 /nfs/dbraw/zinc/85/17/27/644851727.db2.gz ASXMEXACNNPJFL-SNVBAGLBSA-N 2 0 242.367 0.267 20 30 BCEDRP C[NH+](C)CCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000252453130 644852369 /nfs/dbraw/zinc/85/23/69/644852369.db2.gz BFBIESRWXBCPDK-UHFFFAOYSA-N 2 0 249.318 0.444 20 30 BCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303884748 644854042 /nfs/dbraw/zinc/85/40/42/644854042.db2.gz MVQYUTGSVBXQFU-NSHDSACASA-N 2 0 224.352 0.807 20 30 BCEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000303890796 644854915 /nfs/dbraw/zinc/85/49/15/644854915.db2.gz MQWKIUKWJWSVRB-LLVKDONJSA-N 2 0 226.368 0.889 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@H](C)COC ZINC000303902854 644855832 /nfs/dbraw/zinc/85/58/32/644855832.db2.gz UFYONTVSVPMRIH-GHMZBOCLSA-N 2 0 244.383 0.656 20 30 BCEDRP CC[N@H+](CCNC(=[NH2+])N1CCOCC1)C(C)C ZINC000303980249 644861860 /nfs/dbraw/zinc/86/18/60/644861860.db2.gz NYWKABPRBOWYAF-UHFFFAOYSA-N 2 0 242.367 0.364 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000928653201 645852047 /nfs/dbraw/zinc/85/20/47/645852047.db2.gz CZWMPNRBKMQEFI-LBPRGKRZSA-N 2 0 249.358 0.152 20 30 BCEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925773117 646473307 /nfs/dbraw/zinc/47/33/07/646473307.db2.gz WWYUTZTZDIJOCK-IJLUTSLNSA-N 2 0 212.337 0.901 20 30 BCEDRP C#CC1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000708099965 712181055 /nfs/dbraw/zinc/18/10/55/712181055.db2.gz AKQOHBDPOJTJCB-ZDUSSCGKSA-N 2 0 236.359 0.931 20 30 BCEDRP CCNC(NCC[NH2+]C(C)(C)C)=[NH+]CC ZINC000304282733 711489729 /nfs/dbraw/zinc/48/97/29/711489729.db2.gz HPOIMIYGJWSSAH-UHFFFAOYSA-N 2 0 214.357 0.950 20 30 BCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712144 711535690 /nfs/dbraw/zinc/53/56/90/711535690.db2.gz NCIFSAPQVMSETE-WDEREUQCSA-N 2 0 225.336 0.348 20 30 BCEDRP C=CC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[NH2+]1 ZINC000638927018 398204671 /nfs/dbraw/zinc/20/46/71/398204671.db2.gz QXHZHBKWBPKWSU-SCRDCRAPSA-N 2 0 249.358 0.648 20 30 BCEDRP C[C@H](CCC#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000602524009 349576917 /nfs/dbraw/zinc/57/69/17/349576917.db2.gz JRBTZOQFAJFHEM-CHWSQXEVSA-N 2 0 239.363 0.973 20 30 BCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000602543482 349587732 /nfs/dbraw/zinc/58/77/32/349587732.db2.gz KNFSGCWMAMVHRZ-OUAUKWLOSA-N 2 0 238.335 0.264 20 30 BCEDRP C[C@@H](CNC1=[NH+]CCN1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000262669765 136374709 /nfs/dbraw/zinc/37/47/09/136374709.db2.gz QMOLGNMNJQKYHQ-NEPJUHHUSA-N 2 0 238.379 0.998 20 30 BCEDRP C[C@@H](CNC1=[NH+]CCN1C)[N@@H+]1CCC[C@H](C)C1 ZINC000262669767 136374794 /nfs/dbraw/zinc/37/47/94/136374794.db2.gz QMOLGNMNJQKYHQ-RYUDHWBXSA-N 2 0 238.379 0.998 20 30 BCEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000600737487 344365826 /nfs/dbraw/zinc/36/58/26/344365826.db2.gz BCMAPVSPUMNYHB-XQQFMLRXSA-N 2 0 237.347 0.725 20 30 BCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476271 345349747 /nfs/dbraw/zinc/34/97/47/345349747.db2.gz XSKLPUUQZRCLDO-QJPTWQEYSA-N 2 0 237.347 0.348 20 30 BCEDRP N#C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867409 345688153 /nfs/dbraw/zinc/68/81/53/345688153.db2.gz FCWQDBXPCUQQPR-RHYQMDGZSA-N 2 0 205.305 0.830 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677583 347685458 /nfs/dbraw/zinc/68/54/58/347685458.db2.gz NWSDGECRGAEONP-QWRGUYRKSA-N 2 0 238.335 0.266 20 30 BCEDRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592047393 347724103 /nfs/dbraw/zinc/72/41/03/347724103.db2.gz KZASWERCKAZXNC-QWRGUYRKSA-N 2 0 238.335 0.218 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000577370192 365936425 /nfs/dbraw/zinc/93/64/25/365936425.db2.gz YRZGRXNCVYXPCE-UHFFFAOYSA-N 2 0 239.363 0.882 20 30 BCEDRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424297 348051197 /nfs/dbraw/zinc/05/11/97/348051197.db2.gz AFKQHPIEWFESCQ-UWVGGRQHSA-N 2 0 226.324 0.203 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594425621 348052003 /nfs/dbraw/zinc/05/20/03/348052003.db2.gz LPFVYJVULBIMNH-GHMZBOCLSA-N 2 0 238.335 0.218 20 30 BCEDRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444597 348055510 /nfs/dbraw/zinc/05/55/10/348055510.db2.gz VESBZRCGOLMHTE-JTQLQIEISA-N 2 0 226.324 0.075 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC([NH3+])C1 ZINC000594444757 348055524 /nfs/dbraw/zinc/05/55/24/348055524.db2.gz XHAGLNSFULMSKU-VQXHTEKXSA-N 2 0 238.335 0.346 20 30 BCEDRP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444413 348055830 /nfs/dbraw/zinc/05/58/30/348055830.db2.gz RMPJDKISRZYBLZ-VHSXEESVSA-N 2 0 226.324 0.251 20 30 BCEDRP C[C@]1(NC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]C1 ZINC000595987760 348419878 /nfs/dbraw/zinc/41/98/78/348419878.db2.gz WUYVJLXPDAYJNZ-PWSUYJOCSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@]1(NC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]C1 ZINC000595987759 348419967 /nfs/dbraw/zinc/41/99/67/348419967.db2.gz WUYVJLXPDAYJNZ-JQWIXIFHSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@@]1(NC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]C1 ZINC000595987758 348420133 /nfs/dbraw/zinc/42/01/33/348420133.db2.gz WUYVJLXPDAYJNZ-CMPLNLGQSA-N 2 0 238.335 0.266 20 30 BCEDRP C[C@]1(C#N)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904981 348396098 /nfs/dbraw/zinc/39/60/98/348396098.db2.gz NLWVMYLXCYYZKJ-VXGBXAGGSA-N 2 0 235.331 0.743 20 30 BCEDRP N#C[C@H]1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599085280 349089755 /nfs/dbraw/zinc/08/97/55/349089755.db2.gz OIPFYQZLTIEGGD-QJPTWQEYSA-N 2 0 223.320 0.335 20 30 BCEDRP C=CCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000577503544 365971908 /nfs/dbraw/zinc/97/19/08/365971908.db2.gz TUALEBGGRLKHBW-ZDUSSCGKSA-N 2 0 241.379 0.151 20 30 BCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000063663308 353606512 /nfs/dbraw/zinc/60/65/12/353606512.db2.gz SDNWIVUMBMLABD-UHFFFAOYSA-N 2 0 237.347 0.009 20 30 BCEDRP C#CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367117785 355957204 /nfs/dbraw/zinc/95/72/04/355957204.db2.gz SWCZMQSYNVBYOY-CQSZACIVSA-N 2 0 235.375 0.579 20 30 BCEDRP CCC[N@H+](CC)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261534079 535297959 /nfs/dbraw/zinc/29/79/59/535297959.db2.gz LSLMRYRRTCUIFF-SNVBAGLBSA-N 2 0 212.341 0.656 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420309969 192211543 /nfs/dbraw/zinc/21/15/43/192211543.db2.gz PFGZGZHMRMANRS-CYDGBPFRSA-N 2 0 249.358 0.442 20 30 BCEDRP CN(C)C(=[NH2+])NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000134507907 358793760 /nfs/dbraw/zinc/79/37/60/358793760.db2.gz AOZJBOFKZXGGLJ-MNOVXSKESA-N 2 0 240.351 0.116 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000424079654 200856916 /nfs/dbraw/zinc/85/69/16/200856916.db2.gz RMKJWYLNJDAHNR-DCAQKATOSA-N 2 0 238.335 0.251 20 30 BCEDRP C[NH2+]CCOCCN(C)Cc1ccncc1C#N ZINC000600727293 369560610 /nfs/dbraw/zinc/56/06/10/369560610.db2.gz KQNYIISUZWZPKM-UHFFFAOYSA-N 2 0 248.330 0.621 20 30 BCEDRP CN1CCN(Cc2ccc(C#N)o2)[C@H](C[NH3+])C1 ZINC000600769890 369563814 /nfs/dbraw/zinc/56/38/14/369563814.db2.gz UIKUGSMBEJLLRA-SNVBAGLBSA-N 2 0 234.303 0.226 20 30 BCEDRP C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(C#N)c1 ZINC000602605042 369826086 /nfs/dbraw/zinc/82/60/86/369826086.db2.gz RUWKMIYMXQNFOM-GFCCVEGCSA-N 2 0 246.314 0.776 20 30 BCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252879286 370138542 /nfs/dbraw/zinc/13/85/42/370138542.db2.gz XSKLPUUQZRCLDO-SRVKXCTJSA-N 2 0 237.347 0.348 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]CCN1CC[C@H](O)C1 ZINC000624337852 371486486 /nfs/dbraw/zinc/48/64/86/371486486.db2.gz PZSBAPPLAXFPCD-NEPJUHHUSA-N 2 0 212.337 0.997 20 30 BCEDRP CC#CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177384789 206006964 /nfs/dbraw/zinc/00/69/64/206006964.db2.gz ZXCNHKRCHSTAJR-UHFFFAOYSA-N 2 0 237.391 0.968 20 30 BCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424192474 206034648 /nfs/dbraw/zinc/03/46/48/206034648.db2.gz IXWYVGGYXJDAKW-UWVGGRQHSA-N 2 0 240.351 0.497 20 30 BCEDRP C#CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262270310 532989127 /nfs/dbraw/zinc/98/91/27/532989127.db2.gz KIVFNYWAOJMASK-JTQLQIEISA-N 2 0 208.309 0.008 20 30 BCEDRP C=CCNC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000161505944 384497670 /nfs/dbraw/zinc/49/76/70/384497670.db2.gz DHPNHWWZEVLZFZ-UHFFFAOYSA-N 2 0 224.352 0.809 20 30 BCEDRP Cn1cc(C[NH2+]CCn2ccnc2)cc1C#N ZINC000189590277 385213962 /nfs/dbraw/zinc/21/39/62/385213962.db2.gz MKYPIJQCPXJCPD-UHFFFAOYSA-N 2 0 229.287 0.883 20 30 BCEDRP C=CC[C@@H](CO)C[NH2+]C1CCN(C)CC1 ZINC000308910601 385284503 /nfs/dbraw/zinc/28/45/03/385284503.db2.gz DPWUBBICKMYCKZ-LLVKDONJSA-N 2 0 212.337 0.855 20 30 BCEDRP C#CCN(CC)Cc1cnc(N(C)C)n1C ZINC000491672641 385440308 /nfs/dbraw/zinc/44/03/08/385440308.db2.gz HMGMZDBMEGNWSS-UHFFFAOYSA-N 2 0 220.320 0.941 20 30 BCEDRP C=CCNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000171146069 385470070 /nfs/dbraw/zinc/47/00/70/385470070.db2.gz PJTILVOPUOZPQE-UHFFFAOYSA-N 2 0 240.351 0.188 20 30 BCEDRP C=CCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000308832697 385884216 /nfs/dbraw/zinc/88/42/16/385884216.db2.gz UVZQDTIAZAVUCF-LBPRGKRZSA-N 2 0 212.337 0.999 20 30 BCEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CNCCN1C ZINC000414978572 386034436 /nfs/dbraw/zinc/03/44/36/386034436.db2.gz RYJZWIBROMKPMC-VXGBXAGGSA-N 2 0 211.353 0.834 20 30 BCEDRP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424075948 387478351 /nfs/dbraw/zinc/47/83/51/387478351.db2.gz KOFPPAFGGQVFKQ-QWRGUYRKSA-N 2 0 240.351 0.641 20 30 BCEDRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424075996 387478360 /nfs/dbraw/zinc/47/83/60/387478360.db2.gz KTCKXGRSBXAADA-JTQLQIEISA-N 2 0 240.351 0.641 20 30 BCEDRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424078835 387480807 /nfs/dbraw/zinc/48/08/07/387480807.db2.gz QICJNZQPRORYPO-WDEREUQCSA-N 2 0 238.335 0.218 20 30 BCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424080692 387482984 /nfs/dbraw/zinc/48/29/84/387482984.db2.gz TYHPVDLZOIGTLL-QWRGUYRKSA-N 2 0 240.351 0.497 20 30 BCEDRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424141565 387710267 /nfs/dbraw/zinc/71/02/67/387710267.db2.gz UIBKACAUTXJQRS-LLVKDONJSA-N 2 0 240.351 0.466 20 30 BCEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000442763621 387834704 /nfs/dbraw/zinc/83/47/04/387834704.db2.gz BCMAPVSPUMNYHB-UPJWGTAASA-N 2 0 237.347 0.725 20 30 BCEDRP C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423014358 387835976 /nfs/dbraw/zinc/83/59/76/387835976.db2.gz ICYYMQSFTJOKMV-GRYCIOLGSA-N 2 0 212.337 0.901 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193636121 387859354 /nfs/dbraw/zinc/85/93/54/387859354.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 0 237.347 0.171 20 30 BCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)C1(C[NH3+])CCC1 ZINC000424171015 387863511 /nfs/dbraw/zinc/86/35/11/387863511.db2.gz BRGZRKAPJAEACL-SNVBAGLBSA-N 2 0 238.335 0.347 20 30 BCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424154233 387815669 /nfs/dbraw/zinc/81/56/69/387815669.db2.gz JHILJWKEXQULAP-MXWKQRLJSA-N 2 0 238.335 0.122 20 30 BCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000424383388 388000983 /nfs/dbraw/zinc/00/09/83/388000983.db2.gz TXVFCXRTNDWWQP-AVGNSLFASA-N 2 0 242.363 0.921 20 30 BCEDRP C=CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102477 388143170 /nfs/dbraw/zinc/14/31/70/388143170.db2.gz KKTKQLAWNDANJC-UHFFFAOYSA-N 2 0 210.321 0.969 20 30 BCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000491515616 388300107 /nfs/dbraw/zinc/30/01/07/388300107.db2.gz OOKUHYIDZIADDB-UHFFFAOYSA-N 2 0 245.330 0.973 20 30 BCEDRP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000491693129 388311335 /nfs/dbraw/zinc/31/13/35/388311335.db2.gz IKOMSHVKNFEQFM-LBPRGKRZSA-N 2 0 237.347 0.009 20 30 BCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000572723692 388368498 /nfs/dbraw/zinc/36/84/98/388368498.db2.gz VLQGEORZQWTXBP-NSHDSACASA-N 2 0 238.335 0.266 20 30 BCEDRP C=CC1CC[NH+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000573258018 388436399 /nfs/dbraw/zinc/43/63/99/388436399.db2.gz QBEQGCYUEVVQAM-GFCCVEGCSA-N 2 0 212.337 0.855 20 30 BCEDRP CC[C@H](CC#N)NC[C@@H](O)C[N@H+](C)CC ZINC000521063743 388560603 /nfs/dbraw/zinc/56/06/03/388560603.db2.gz YVOUOBZCDBZFPQ-GHMZBOCLSA-N 2 0 213.325 0.581 20 30 BCEDRP CC[C@@H](CC#N)NC[C@H](O)C[N@H+](C)CC ZINC000521063746 388560884 /nfs/dbraw/zinc/56/08/84/388560884.db2.gz YVOUOBZCDBZFPQ-QWRGUYRKSA-N 2 0 213.325 0.581 20 30 BCEDRP CN(C)C(=[NH+]CC[NH+]1CCCCC1)N(C)C ZINC000104158207 134159220 /nfs/dbraw/zinc/15/92/20/134159220.db2.gz KKDUEBSIHHVFAY-UHFFFAOYSA-N 2 0 226.368 0.952 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368917791 134220516 /nfs/dbraw/zinc/22/05/16/134220516.db2.gz SJDWFSHZOIVOBE-GHMZBOCLSA-N 2 0 238.335 0.150 20 30 BCEDRP C#CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378314678 134245724 /nfs/dbraw/zinc/24/57/24/134245724.db2.gz HWBMJWOAMJNPEA-CABCVRRESA-N 2 0 249.402 0.968 20 30 BCEDRP CCN(C)CCNC(NCc1ccco1)=[NH+]C ZINC000264083732 135131760 /nfs/dbraw/zinc/13/17/60/135131760.db2.gz VBNVJLIVBIOAMY-UHFFFAOYSA-N 2 0 238.335 0.896 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]CCN1C ZINC000261530925 135158653 /nfs/dbraw/zinc/15/86/53/135158653.db2.gz DNKLPAKNXHHQAQ-JTQLQIEISA-N 2 0 212.341 0.608 20 30 BCEDRP CC[C@H](C)[N@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000261532663 135163613 /nfs/dbraw/zinc/16/36/13/135163613.db2.gz KCOWHRUILUGUFU-UWVGGRQHSA-N 2 0 212.341 0.654 20 30 BCEDRP CN1CC[NH+]=C1NCC(C)(C)C[NH+](C)C ZINC000261534640 135168158 /nfs/dbraw/zinc/16/81/58/135168158.db2.gz MWCUKNLDGPHDIV-UHFFFAOYSA-N 2 0 212.341 0.465 20 30 BCEDRP C[C@H](CNC1=[NH+]C[C@H](C)N1)[N@H+](C)C1CC1 ZINC000261538355 135175657 /nfs/dbraw/zinc/17/56/57/135175657.db2.gz XVBYDHJRKHJZES-DTWKUNHWSA-N 2 0 210.325 0.406 20 30 BCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261559715 135200609 /nfs/dbraw/zinc/20/06/09/135200609.db2.gz TZIUQACDXBXONG-YPMHNXCESA-N 2 0 237.347 0.363 20 30 BCEDRP C=CCNC(=O)[C@H](C)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163838166 135209049 /nfs/dbraw/zinc/20/90/49/135209049.db2.gz YQXARWAGKVBMHP-SRVKXCTJSA-N 2 0 239.363 0.594 20 30 BCEDRP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CCCC2)N1 ZINC000261583542 135223932 /nfs/dbraw/zinc/22/39/32/135223932.db2.gz PCSACWAPHGOSSM-JTQLQIEISA-N 2 0 224.352 0.798 20 30 BCEDRP CN1CC[NH+]=C1NCC[NH+]1CCCCCC1 ZINC000261588876 135229093 /nfs/dbraw/zinc/22/90/93/135229093.db2.gz SSBBQWDBZDSXBD-UHFFFAOYSA-N 2 0 224.352 0.753 20 30 BCEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C3CC3)C2)N1 ZINC000261593922 135234208 /nfs/dbraw/zinc/23/42/08/135234208.db2.gz XDGHPEANWSXKFL-NXEZZACHSA-N 2 0 222.336 0.408 20 30 BCEDRP CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261653247 135242764 /nfs/dbraw/zinc/24/27/64/135242764.db2.gz AFHFAXXWHGFNQG-WCBMZHEXSA-N 2 0 210.325 0.264 20 30 BCEDRP CN(C(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000262245110 135287449 /nfs/dbraw/zinc/28/74/49/135287449.db2.gz OOVJBUIENHRLBU-NSHDSACASA-N 2 0 224.352 0.736 20 30 BCEDRP CN1CC[NH+]=C1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000262419820 135296158 /nfs/dbraw/zinc/29/61/58/135296158.db2.gz BBCXWUJCZJFCRJ-GFCCVEGCSA-N 2 0 236.363 0.894 20 30 BCEDRP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CCCC[C@@H]2C)N1 ZINC000262478439 135302139 /nfs/dbraw/zinc/30/21/39/135302139.db2.gz CNQLPGFVKAGWAJ-MNOVXSKESA-N 2 0 224.352 0.798 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=C)C[NH+](C)C ZINC000491667679 398057260 /nfs/dbraw/zinc/05/72/60/398057260.db2.gz RXIWTKCXYQBPBB-UHFFFAOYSA-N 2 0 237.347 0.176 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662394968 409697177 /nfs/dbraw/zinc/69/71/77/409697177.db2.gz AAZCZXIHBYVAJT-YPMHNXCESA-N 2 0 237.347 0.505 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000662448064 409723015 /nfs/dbraw/zinc/72/30/15/409723015.db2.gz GNJLLZPJLDELER-UHFFFAOYSA-N 2 0 239.363 0.751 20 30 BCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC)CC1 ZINC000178769042 166352300 /nfs/dbraw/zinc/35/23/00/166352300.db2.gz SRXSQEVJCDVTIH-NSHDSACASA-N 2 0 225.336 0.490 20 30 BCEDRP C=CC[N@@H+](CCOCC[NH3+])[C@H](C)COC ZINC000662299822 412085749 /nfs/dbraw/zinc/08/57/49/412085749.db2.gz XTEJTFCVADRTGQ-LLVKDONJSA-N 2 0 216.325 0.485 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662392462 412143360 /nfs/dbraw/zinc/14/33/60/412143360.db2.gz CZJQCGCIEYZACI-LBPRGKRZSA-N 2 0 223.320 0.117 20 30 BCEDRP C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665263386 412205400 /nfs/dbraw/zinc/20/54/00/412205400.db2.gz LNNCUTXUNDVYTC-YNEHKIRRSA-N 2 0 242.363 0.921 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC[NH2+]C2CC2)CCC[NH2+]1 ZINC000662410525 412154338 /nfs/dbraw/zinc/15/43/38/412154338.db2.gz AFSROJTZKXRZTE-ZDUSSCGKSA-N 2 0 237.347 0.553 20 30 BCEDRP C=CC[C@@]1(C(=O)N(C)CCC[NH2+]C)CCC[NH2+]1 ZINC000662818001 412309968 /nfs/dbraw/zinc/30/99/68/412309968.db2.gz ZOWBDPLHKXGUHR-ZDUSSCGKSA-N 2 0 239.363 0.753 20 30 BCEDRP C=CC[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCC[NH2+]1 ZINC000662874901 412332127 /nfs/dbraw/zinc/33/21/27/412332127.db2.gz BYFLJJFSAQINPY-UBHUBRDASA-N 2 0 249.358 0.634 20 30 BCEDRP C=CC[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)CCC[NH2+]1 ZINC000662917828 412344385 /nfs/dbraw/zinc/34/43/85/412344385.db2.gz AEQZIZYCHHGQAR-UBHUBRDASA-N 2 0 249.358 0.553 20 30 BCEDRP C=CC[C@]1(C(=O)NCC2C[NH2+]C2)CCC[NH2+]1 ZINC000662762827 412293790 /nfs/dbraw/zinc/29/37/90/412293790.db2.gz FGUWCQIWKQDOSZ-GFCCVEGCSA-N 2 0 223.320 0.020 20 30 BCEDRP C=CC[C@]1(C(=O)N[C@@H](C)CC[NH3+])CCC[NH2+]1 ZINC000662763775 412294046 /nfs/dbraw/zinc/29/40/46/412294046.db2.gz JHCVVULXKRQNOH-CMPLNLGQSA-N 2 0 225.336 0.538 20 30 BCEDRP C=CC[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000248516751 323023974 /nfs/dbraw/zinc/02/39/74/323023974.db2.gz OYTPEVKRVUOEEK-IJLUTSLNSA-N 2 0 212.337 0.996 20 30 BCEDRP C=CCCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566571955 326065935 /nfs/dbraw/zinc/06/59/35/326065935.db2.gz IBSVDTFWBNFYAL-GHMZBOCLSA-N 2 0 223.320 0.196 20 30 BCEDRP C=CCNC(=[NH2+])NC[C@@H](CC)[NH+]1CCCC1 ZINC000066245279 534520580 /nfs/dbraw/zinc/52/05/80/534520580.db2.gz WYXXOBQJXCWWIF-LLVKDONJSA-N 2 0 224.352 0.951 20 30 BCEDRP C=CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397084 534853530 /nfs/dbraw/zinc/85/35/30/534853530.db2.gz UUVACXPWTAYSQX-LLVKDONJSA-N 2 0 210.321 0.860 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC1=[NH+]C[C@H](C)N1 ZINC000262690295 535667149 /nfs/dbraw/zinc/66/71/49/535667149.db2.gz ZZVNJHRCUVIDKD-VHSXEESVSA-N 2 0 212.341 0.654 20 30 BCEDRP C[NH+](C)CCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000264063459 535904329 /nfs/dbraw/zinc/90/43/29/535904329.db2.gz DHUBDFMBGKKPOT-UHFFFAOYSA-N 2 0 236.319 0.400 20 30 BCEDRP C=CCNC(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000113655970 588848030 /nfs/dbraw/zinc/84/80/30/588848030.db2.gz XDCOPXGZXOPQCC-UHFFFAOYSA-N 2 0 239.363 0.610 20 30 BCEDRP CCOCCCNC(=[NH2+])NCC[NH+](CC)CC ZINC000104152107 582792021 /nfs/dbraw/zinc/79/20/21/582792021.db2.gz DSWZLUGHOIPVBZ-UHFFFAOYSA-N 2 0 244.383 0.659 20 30 BCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000203308233 583967282 /nfs/dbraw/zinc/96/72/82/583967282.db2.gz XFDYYVSENXSVCP-JTQLQIEISA-N 2 0 224.352 0.783 20 30 BCEDRP CC[N@@H+]1CCC(=[NH+]n2cnnc2)[C@H](C)C1 ZINC000741451951 584925227 /nfs/dbraw/zinc/92/52/27/584925227.db2.gz ZCMUTOHISAJANM-SECBINFHSA-N 2 0 207.281 0.844 20 30 BCEDRP CC[N@@H+]1CCC(=[NH+]n2cnnc2)[C@@H](C)C1 ZINC000741451956 584925273 /nfs/dbraw/zinc/92/52/73/584925273.db2.gz ZCMUTOHISAJANM-VIFPVBQESA-N 2 0 207.281 0.844 20 30 BCEDRP CC(=NNC1=[NH+][C@@H](C)CN1)C1CC[NH+](C)CC1 ZINC000814897556 585021473 /nfs/dbraw/zinc/02/14/73/585021473.db2.gz LJABQIREBQCLIL-VIFPVBQESA-N 2 0 237.351 0.641 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000764504418 585466973 /nfs/dbraw/zinc/46/69/73/585466973.db2.gz BXCSSNJMFIUNGP-NSHDSACASA-N 2 0 227.352 0.561 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000764507113 585467187 /nfs/dbraw/zinc/46/71/87/585467187.db2.gz NPIXHEWDTULIMK-UHFFFAOYSA-N 2 0 239.363 0.657 20 30 BCEDRP C[C@@H]1CNC(NN=C2CCC[C@@H]([NH+](C)C)C2)=[NH+]1 ZINC000788438009 585740601 /nfs/dbraw/zinc/74/06/01/585740601.db2.gz FMNGXSNBPVIXGJ-MWLCHTKSSA-N 2 0 237.351 0.784 20 30 BCEDRP C#CC(C)(C)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000794579275 586044954 /nfs/dbraw/zinc/04/49/54/586044954.db2.gz YMFAKBYGNIVVPF-GFCCVEGCSA-N 2 0 224.348 0.787 20 30 BCEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCOCC2)N1 ZINC000848989145 588426861 /nfs/dbraw/zinc/42/68/61/588426861.db2.gz AURNNTGIYUZFOL-NSHDSACASA-N 2 0 240.351 0.036 20 30 BCEDRP C[NH+]=C(NCCNc1cc[nH+]cc1)NC1CC1 ZINC000848995251 588428504 /nfs/dbraw/zinc/42/85/04/588428504.db2.gz MCXLTFQQLMCOIQ-UHFFFAOYSA-N 2 0 233.319 0.243 20 30 BCEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)C1)NC1CC1 ZINC000849005595 588432754 /nfs/dbraw/zinc/43/27/54/588432754.db2.gz ZQIBXWWHDQMCQT-JTQLQIEISA-N 2 0 224.352 0.656 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC#N ZINC000849017498 588437414 /nfs/dbraw/zinc/43/74/14/588437414.db2.gz KMTGTLARNDYJDP-NSHDSACASA-N 2 0 237.351 0.888 20 30 BCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC#N ZINC000849017497 588437461 /nfs/dbraw/zinc/43/74/61/588437461.db2.gz KMTGTLARNDYJDP-LLVKDONJSA-N 2 0 237.351 0.888 20 30 BCEDRP CNC(NCC1(O)CC[NH+](C(C)C)CC1)=[NH+]C ZINC000849214836 588461805 /nfs/dbraw/zinc/46/18/05/588461805.db2.gz VMZFNEQXMBKHON-UHFFFAOYSA-N 2 0 242.367 0.017 20 30 BCEDRP CNC(NCCCC[N@@H+]1CCC[C@H]1CO)=[NH+]C ZINC000849214588 588461816 /nfs/dbraw/zinc/46/18/16/588461816.db2.gz SUCJXGIWFZFCNX-NSHDSACASA-N 2 0 242.367 0.018 20 30 BCEDRP C[NH2+][C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852794386 588703247 /nfs/dbraw/zinc/70/32/47/588703247.db2.gz QFDVYMHGYZHOLK-CYBMUJFWSA-N 2 0 249.358 0.200 20 30 BCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000852796873 588703476 /nfs/dbraw/zinc/70/34/76/588703476.db2.gz ILGQGECCERYGHV-TXEJJXNPSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874029 588709740 /nfs/dbraw/zinc/70/97/40/588709740.db2.gz JKFFGKMFPQZIAG-AAEUAGOBSA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852875212 588710220 /nfs/dbraw/zinc/71/02/20/588710220.db2.gz SYPWVODDUXXURW-AAEUAGOBSA-N 2 0 249.358 0.185 20 30 BCEDRP C[C@H]1[NH2+]CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1C ZINC000852878052 588710343 /nfs/dbraw/zinc/71/03/43/588710343.db2.gz GJHJEONJCUOALV-VXGBXAGGSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H]1[NH2+]CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C ZINC000852878051 588710563 /nfs/dbraw/zinc/71/05/63/588710563.db2.gz GJHJEONJCUOALV-RYUDHWBXSA-N 2 0 249.358 0.198 20 30 BCEDRP C[C@@H](CCC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880682 588710947 /nfs/dbraw/zinc/71/09/47/588710947.db2.gz DCRNADBFYBFQTJ-NSHDSACASA-N 2 0 237.347 0.233 20 30 BCEDRP [NH3+]C[C@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852882941 588711264 /nfs/dbraw/zinc/71/12/64/588711264.db2.gz SXYVUYIYPJCIPL-STQMWFEESA-N 2 0 249.358 0.233 20 30 BCEDRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852898212 588712237 /nfs/dbraw/zinc/71/22/37/588712237.db2.gz XFSCTJFEXRBVAR-AAEUAGOBSA-N 2 0 249.358 0.328 20 30 BCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N(C)CCOC ZINC000871605392 589775306 /nfs/dbraw/zinc/77/53/06/589775306.db2.gz DLOSYZDBUJJVLA-UHFFFAOYSA-N 2 0 240.351 0.044 20 30 BCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153430 589884968 /nfs/dbraw/zinc/88/49/68/589884968.db2.gz ABNKNENJHSDVED-SGMGOOAPSA-N 2 0 249.358 0.315 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876504646 590204192 /nfs/dbraw/zinc/20/41/92/590204192.db2.gz RQXNCGWVGKMNNK-DTWKUNHWSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000876516175 590206601 /nfs/dbraw/zinc/20/66/01/590206601.db2.gz MIKPKFCZNOHYTP-RTBKNWGFSA-N 2 0 245.754 0.842 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C ZINC000876514654 590206719 /nfs/dbraw/zinc/20/67/19/590206719.db2.gz GOZFCSSFZPBLIK-DTWKUNHWSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876521938 590207400 /nfs/dbraw/zinc/20/74/00/590207400.db2.gz BZUWEYSGRPTNFY-DTWKUNHWSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876521940 590207418 /nfs/dbraw/zinc/20/74/18/590207418.db2.gz BZUWEYSGRPTNFY-RKDXNWHRSA-N 2 0 231.727 0.325 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000876521172 590207530 /nfs/dbraw/zinc/20/75/30/590207530.db2.gz IQLFAMVXSWEJJJ-QMMMGPOBSA-N 2 0 219.716 0.182 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] ZINC000876524400 590208075 /nfs/dbraw/zinc/20/80/75/590208075.db2.gz PJCUKGDNKLSOBC-ZETCQYMHSA-N 2 0 219.716 0.310 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000876529320 590209650 /nfs/dbraw/zinc/20/96/50/590209650.db2.gz GCEUFISJHRKPER-BDAKNGLRSA-N 2 0 231.727 0.277 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000876534348 590210648 /nfs/dbraw/zinc/21/06/48/590210648.db2.gz AYZWWTHSXGAUDQ-GXSJLCMTSA-N 2 0 247.770 0.946 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876536406 590211097 /nfs/dbraw/zinc/21/10/97/590211097.db2.gz BZEPCVWGKWXEJZ-IUCAKERBSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C)CC1 ZINC000876711414 590232726 /nfs/dbraw/zinc/23/27/26/590232726.db2.gz YIGWDSPDFASZNH-SNVBAGLBSA-N 2 0 245.754 0.667 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000876748811 590237262 /nfs/dbraw/zinc/23/72/62/590237262.db2.gz HUALSJMUZMNSBF-JTQLQIEISA-N 2 0 247.770 0.913 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792257 590241952 /nfs/dbraw/zinc/24/19/52/590241952.db2.gz VAHVVYCWPMLJEL-RKDXNWHRSA-N 2 0 231.727 0.310 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826002 590246319 /nfs/dbraw/zinc/24/63/19/590246319.db2.gz AXFZYWYUJAWOBR-NXEZZACHSA-N 2 0 245.754 0.715 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000876831402 590247718 /nfs/dbraw/zinc/24/77/18/590247718.db2.gz ZJDKKUZQYJQXKL-JEZHCXPESA-N 2 0 245.754 0.571 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000876832347 590247741 /nfs/dbraw/zinc/24/77/41/590247741.db2.gz OINKMIBNFBGLJR-GUBZILKMSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH3+] ZINC000876857313 590249923 /nfs/dbraw/zinc/24/99/23/590249923.db2.gz AYAWPXRAIQMQOX-BDAKNGLRSA-N 2 0 233.743 0.700 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000876860666 590250470 /nfs/dbraw/zinc/25/04/70/590250470.db2.gz GWVAVGMGYASXJO-RNJXMRFFSA-N 2 0 219.716 0.308 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CC([NH3+])C1 ZINC000876861538 590251215 /nfs/dbraw/zinc/25/12/15/590251215.db2.gz BOKAIMWRHPSKJQ-HACHORDNSA-N 2 0 231.727 0.404 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000876935339 590258082 /nfs/dbraw/zinc/25/80/82/590258082.db2.gz RQOMSRFOLCVFFH-CIUDSAMLSA-N 2 0 233.743 0.698 20 30 BCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000877023165 590270573 /nfs/dbraw/zinc/27/05/73/590270573.db2.gz GSCKVELUDXKLKU-KXUCPTDWSA-N 2 0 245.754 0.713 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877048820 590274097 /nfs/dbraw/zinc/27/40/97/590274097.db2.gz AHUQXFRJGKJDAV-UTLUCORTSA-N 2 0 245.754 0.713 20 30 BCEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000877242684 590302620 /nfs/dbraw/zinc/30/26/20/590302620.db2.gz VWCGLDXCJCKTEO-LOWVWBTDSA-N 2 0 237.347 0.538 20 30 BCEDRP CC#CCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878656255 590603357 /nfs/dbraw/zinc/60/33/57/590603357.db2.gz KJAKOQFSOZFNMF-UHFFFAOYSA-N 2 0 237.347 0.152 20 30 BCEDRP C=CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590867 590823978 /nfs/dbraw/zinc/82/39/78/590823978.db2.gz GFXFQOUGQQLZLA-UHFFFAOYSA-N 2 0 223.364 0.884 20 30 BCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000134120043 591888374 /nfs/dbraw/zinc/88/83/74/591888374.db2.gz QEEAWBFMDMTKCC-NSHDSACASA-N 2 0 226.368 0.841 20 30 BCEDRP C#CC[C@H]1CC[N@@H+](C[C@@H](O)CN(C)CC)C1 ZINC000886365674 592219778 /nfs/dbraw/zinc/21/97/78/592219778.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 2 0 224.348 0.644 20 30 BCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC1CC1 ZINC000103337555 592578906 /nfs/dbraw/zinc/57/89/06/592578906.db2.gz CRWWTGDDHSVBMC-SECBINFHSA-N 2 0 210.325 0.266 20 30 BCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000104153958 592602248 /nfs/dbraw/zinc/60/22/48/592602248.db2.gz QUJBKEXSIGNVCQ-NSHDSACASA-N 2 0 240.351 0.118 20 30 BCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022980596 632093605 /nfs/dbraw/zinc/09/36/05/632093605.db2.gz ZWQCZGAXGXRZNA-TXEJJXNPSA-N 2 0 249.358 0.505 20 30 BCEDRP CNC(NCC(C)(C)C[NH+](C)C)=[NH+]C ZINC000066244967 632859864 /nfs/dbraw/zinc/85/98/64/632859864.db2.gz ZUNNOQMSQTXWLI-UHFFFAOYSA-N 2 0 200.330 0.369 20 30 BCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028981171 635860355 /nfs/dbraw/zinc/86/03/55/635860355.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 2 0 249.358 0.009 20 30 BCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028981169 635860966 /nfs/dbraw/zinc/86/09/66/635860966.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 2 0 249.358 0.009 20 30 BCEDRP C#CCCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229676680 632986501 /nfs/dbraw/zinc/98/65/01/632986501.db2.gz RXJGBZDJERPFFH-ZDUSSCGKSA-N 2 0 224.348 0.836 20 30 BCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N(C)C ZINC000170914443 633178311 /nfs/dbraw/zinc/17/83/11/633178311.db2.gz KQUUDDYVKWZQPY-SECBINFHSA-N 2 0 200.330 0.593 20 30 BCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000303976257 635935174 /nfs/dbraw/zinc/93/51/74/635935174.db2.gz KAOQOPMWQHFLHN-LLVKDONJSA-N 2 0 240.351 0.164 20 30 BCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771473 633787782 /nfs/dbraw/zinc/78/77/82/633787782.db2.gz OZVKKBSHMTWXQF-RYUDHWBXSA-N 2 0 237.347 0.315 20 30 BCEDRP C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905453038 637811644 /nfs/dbraw/zinc/81/16/44/637811644.db2.gz QEDDRIMSUFYITG-STQMWFEESA-N 2 0 242.363 0.360 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C ZINC000911677471 639716868 /nfs/dbraw/zinc/71/68/68/639716868.db2.gz RVKOSWPUQIMXSB-SNVBAGLBSA-N 2 0 213.325 0.396 20 30 BCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]CC ZINC000911750979 639777599 /nfs/dbraw/zinc/77/75/99/639777599.db2.gz RNASZJVNXWMICP-SNVBAGLBSA-N 2 0 213.325 0.396 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769634 639794305 /nfs/dbraw/zinc/79/43/05/639794305.db2.gz WHOHALNZBCSRKW-RYUDHWBXSA-N 2 0 239.363 0.786 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787736 639805926 /nfs/dbraw/zinc/80/59/26/639805926.db2.gz LHXZMQFJFUKQLA-MNOVXSKESA-N 2 0 225.336 0.490 20 30 BCEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911819869 639835958 /nfs/dbraw/zinc/83/59/58/639835958.db2.gz QYGUEKSLWYYFQX-LBPRGKRZSA-N 2 0 237.347 0.233 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834834 639844886 /nfs/dbraw/zinc/84/48/86/639844886.db2.gz RXIQTOKYXUFYIJ-WDEREUQCSA-N 2 0 225.336 0.524 20 30 BCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911817668 639849607 /nfs/dbraw/zinc/84/96/07/639849607.db2.gz IWTVMWWIJKWXOH-UTUOFQBUSA-N 2 0 239.363 0.866 20 30 BCEDRP C=C(C[NH+](C)C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912324864 640029695 /nfs/dbraw/zinc/02/96/95/640029695.db2.gz IYXPRKCJRFYGPT-UHFFFAOYSA-N 2 0 237.347 0.411 20 30 BCEDRP N#CCCOCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931517750 640240710 /nfs/dbraw/zinc/24/07/10/640240710.db2.gz KZLGOXUDBXOWQJ-UHFFFAOYSA-N 2 0 246.314 0.952 20 30 BCEDRP C#CCCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030961205 641527279 /nfs/dbraw/zinc/52/72/79/641527279.db2.gz RUQKZIIDFXJSMV-YPMHNXCESA-N 2 0 249.358 0.008 20 30 BCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204808 642325667 /nfs/dbraw/zinc/32/56/67/642325667.db2.gz OYWUHVGNRUNBIK-CHWSQXEVSA-N 2 0 249.358 0.247 20 30 BCEDRP CNC(NCC1(C[NH+](C)C)CCCC1)=[NH+]C ZINC000305810861 642701549 /nfs/dbraw/zinc/70/15/49/642701549.db2.gz JDYMVCKNIMOYFH-UHFFFAOYSA-N 2 0 226.368 0.903 20 30 BCEDRP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000305832366 642703128 /nfs/dbraw/zinc/70/31/28/642703128.db2.gz VAVLNHAXJHSANK-JTQLQIEISA-N 2 0 224.352 0.737 20 30 BCEDRP C#CC[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000939208147 642859222 /nfs/dbraw/zinc/85/92/22/642859222.db2.gz BMQJGXCNAXZFGX-JQWIXIFHSA-N 2 0 246.314 0.022 20 30 BCEDRP CN(C(=[NH2+])NCCC[NH+]1CCCC1)C1CC1 ZINC000181460909 642873595 /nfs/dbraw/zinc/87/35/95/642873595.db2.gz LOJGGRXKWHFMBB-UHFFFAOYSA-N 2 0 224.352 0.881 20 30 BCEDRP C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014491642 642888669 /nfs/dbraw/zinc/88/86/69/642888669.db2.gz JZMTYMMTFSQACJ-FRRDWIJNSA-N 2 0 249.358 0.150 20 30 BCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248623 642953636 /nfs/dbraw/zinc/95/36/36/642953636.db2.gz CGUAALGCDRLMSR-OLZOCXBDSA-N 2 0 249.358 0.152 20 30 BCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001019044248 643018410 /nfs/dbraw/zinc/01/84/10/643018410.db2.gz QWNBMVMDPZZALP-QWHCGFSZSA-N 2 0 249.358 0.294 20 30 BCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969949193 643256691 /nfs/dbraw/zinc/25/66/91/643256691.db2.gz OJRGJZGOMAXWDB-CHWSQXEVSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]CC ZINC000083101054 643411928 /nfs/dbraw/zinc/41/19/28/643411928.db2.gz ODJAJEWEAORPSE-LLVKDONJSA-N 2 0 236.363 0.964 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282319 644315532 /nfs/dbraw/zinc/31/55/32/644315532.db2.gz MXPOBVAIJHNAAL-VXGBXAGGSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923332309 644352737 /nfs/dbraw/zinc/35/27/37/644352737.db2.gz KXVDLGHCKBKGAY-CYDGBPFRSA-N 2 0 224.348 0.983 20 30 BCEDRP Cc1cc(C#N)cc(C)c1CNC(C[NH3+])C[NH3+] ZINC000923355963 644373191 /nfs/dbraw/zinc/37/31/91/644373191.db2.gz HQFXXEYXNCLMBN-UHFFFAOYSA-N 2 0 232.331 0.551 20 30 BCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478509 644455846 /nfs/dbraw/zinc/45/58/46/644455846.db2.gz DAPUJSKDIBTKQF-VXGBXAGGSA-N 2 0 212.337 0.984 20 30 BCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482401 644459481 /nfs/dbraw/zinc/45/94/81/644459481.db2.gz ZKTNZYLYQJPXBF-VXGBXAGGSA-N 2 0 237.347 0.444 20 30 BCEDRP CCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303791996 644847295 /nfs/dbraw/zinc/84/72/95/644847295.db2.gz YBOFBKFSUQNNGA-NSHDSACASA-N 2 0 242.367 0.267 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303793286 644847717 /nfs/dbraw/zinc/84/77/17/644847717.db2.gz ZIKGULGLNJKJBD-NSHDSACASA-N 2 0 242.367 0.412 20 30 BCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N[C@@H](C)COC ZINC000303902857 644855407 /nfs/dbraw/zinc/85/54/07/644855407.db2.gz UFYONTVSVPMRIH-WDEREUQCSA-N 2 0 244.383 0.656 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303896059 644855483 /nfs/dbraw/zinc/85/54/83/644855483.db2.gz UDWVNWMWCBMFKT-KOLCDFICSA-N 2 0 242.367 0.266 20 30 BCEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)C2)C1 ZINC000303895833 644855683 /nfs/dbraw/zinc/85/56/83/644855683.db2.gz PQOYWGYTOPFMML-VXGBXAGGSA-N 2 0 238.379 0.985 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303968782 644861472 /nfs/dbraw/zinc/86/14/72/644861472.db2.gz AZOUNSNICVNYAI-VHSXEESVSA-N 2 0 242.367 0.408 20 30 BCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304754202 644930743 /nfs/dbraw/zinc/93/07/43/644930743.db2.gz LSQYWGUYZJLRRX-GHMZBOCLSA-N 2 0 242.367 0.267 20 30 BCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304754205 644930904 /nfs/dbraw/zinc/93/09/04/644930904.db2.gz LSQYWGUYZJLRRX-WDEREUQCSA-N 2 0 242.367 0.267 20 30 BCEDRP CCCNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304761382 644931591 /nfs/dbraw/zinc/93/15/91/644931591.db2.gz UJNPNLXQIREWQN-UHFFFAOYSA-N 2 0 200.330 0.689 20 30 BCEDRP CCO[C@@H](CC[NH+](C)C)CNC(NC)=[NH+]C ZINC000304825748 644933935 /nfs/dbraw/zinc/93/39/35/644933935.db2.gz GQBGDYWKRASNDS-JTQLQIEISA-N 2 0 230.356 0.138 20 30 BCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000928653200 645853111 /nfs/dbraw/zinc/85/31/11/645853111.db2.gz CZWMPNRBKMQEFI-GFCCVEGCSA-N 2 0 249.358 0.152 20 30 BCEDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929327858 646082909 /nfs/dbraw/zinc/08/29/09/646082909.db2.gz NQIKEHATSSUQCZ-CYBMUJFWSA-N 2 0 239.363 0.925 20 30 BCEDRP CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389671 /nfs/dbraw/zinc/38/96/71/646389671.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 2 0 239.363 0.923 20 30 BCEDRP Cc1nccn1CCC[N@@H+](C)C[C@H](O)CC#N ZINC000930061514 646413990 /nfs/dbraw/zinc/41/39/90/646413990.db2.gz SBSFTZCBQDABKJ-GFCCVEGCSA-N 2 0 236.319 0.788 20 30 BCEDRP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)C1C[NH2+]C1 ZINC000925894309 646534691 /nfs/dbraw/zinc/53/46/91/646534691.db2.gz WXAMNEKMEPAAKC-JTQLQIEISA-N 2 0 245.330 0.563 20 30 BCEDRP C=CC[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000715003925 712504216 /nfs/dbraw/zinc/50/42/16/712504216.db2.gz XYXSUNXCNZNLKD-NSHDSACASA-N 2 0 212.337 0.997 20 30 BCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000876796310 712629689 /nfs/dbraw/zinc/62/96/89/712629689.db2.gz KFLLCEWLXIHVSO-AEJSXWLSSA-N 2 0 245.754 0.665 20 30 BCEDRP C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046190822 710854144 /nfs/dbraw/zinc/85/41/44/710854144.db2.gz XIGXZEIFDIKNKO-GXTWGEPZSA-N 2 0 249.358 0.294 20 30 BCEDRP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885961 711543386 /nfs/dbraw/zinc/54/33/86/711543386.db2.gz DOUAPQITHHPZJJ-GHMZBOCLSA-N 2 0 225.336 0.205 20 30 BCEDRP C=C(CC[NH+](C)C)C(=O)NCC#CC[NH+](C)C ZINC000913524564 711823390 /nfs/dbraw/zinc/82/33/90/711823390.db2.gz RQQLUFSDYBIEQG-UHFFFAOYSA-N 2 0 237.347 0.176 20 30 BCEDRP C=CCOCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710563333 712229445 /nfs/dbraw/zinc/22/94/45/712229445.db2.gz SRFYOIXVQYGCPY-UHFFFAOYSA-N 2 0 242.363 0.578 20 30 BCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080934799 712353758 /nfs/dbraw/zinc/35/37/58/712353758.db2.gz BMOIJXASKUQAKJ-FRRDWIJNSA-N 2 0 249.358 0.008 20 30 BCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080934800 712354308 /nfs/dbraw/zinc/35/43/08/712354308.db2.gz BMOIJXASKUQAKJ-JHJVBQTASA-N 2 0 249.358 0.008 20 30 BCEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000714994984 712503082 /nfs/dbraw/zinc/50/30/82/712503082.db2.gz DLDQKNKPXJUJFO-NWDGAFQWSA-N 2 0 239.363 0.738 20 30 BCEDRP C=CC[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000714996638 712503662 /nfs/dbraw/zinc/50/36/62/712503662.db2.gz SKBGLRUBSFSQRK-OLZOCXBDSA-N 2 0 223.364 0.931 20 30 BCEDRP C#CCN(C)CCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715103603 712508982 /nfs/dbraw/zinc/50/89/82/712508982.db2.gz IBGBTKCUDYLVAC-LBPRGKRZSA-N 2 0 240.347 0.683 20 30 BCEDRP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000717840518 712691442 /nfs/dbraw/zinc/69/14/42/712691442.db2.gz IALSKDMUIUYDHR-YNEHKIRRSA-N 2 0 222.332 0.587 20 30 BCEDRP