smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C[NH2+]CCNCCO)cc1 ZINC000022075406 136208507 /nfs/dbraw/zinc/20/85/07/136208507.db2.gz AWGQHPKDZXSPSO-UHFFFAOYSA-N 1 1 238.331 0.757 50 0 BCAAMO Cc1cc(NC(=O)CC[N@H+](C)[C@H](C)CO)no1 ZINC000089605174 178128187 /nfs/dbraw/zinc/12/81/87/178128187.db2.gz YXRSCBDNHPRWSJ-MRVPVSSYSA-N 1 1 241.291 0.624 50 0 BCAAMO Cc1nc(C[NH2+][C@@H](CCO)C(C)C)no1 ZINC000097096342 398225216 /nfs/dbraw/zinc/22/52/16/398225216.db2.gz MOQRNXFMLBYIQZ-VIFPVBQESA-N 1 1 213.281 0.875 50 0 BCAAMO CC(C)COCCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000252478345 187330380 /nfs/dbraw/zinc/33/03/80/187330380.db2.gz AJSLBPIXISYEDA-ZDUSSCGKSA-N 1 1 244.379 0.657 50 0 BCAAMO CC(C)COCC[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000252478345 187330384 /nfs/dbraw/zinc/33/03/84/187330384.db2.gz AJSLBPIXISYEDA-ZDUSSCGKSA-N 1 1 244.379 0.657 50 0 BCAAMO CC[C@H](C(=O)OCc1nnc(C)[nH]1)[NH+](C)C ZINC000170609494 361800589 /nfs/dbraw/zinc/80/05/89/361800589.db2.gz WMQRLNXJBSPEQL-MRVPVSSYSA-N 1 1 226.280 0.497 50 0 BCAAMO COCCn1cnnc1C[NH2+][C@H]1CCCOC1 ZINC000584902780 342714227 /nfs/dbraw/zinc/71/42/27/342714227.db2.gz PWGVZBMANQVZHW-JTQLQIEISA-N 1 1 240.307 0.193 50 0 BCAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000040477859 538971744 /nfs/dbraw/zinc/97/17/44/538971744.db2.gz MLMJADGXKSDBHC-NWDGAFQWSA-N 1 1 240.347 0.966 50 0 BCAAMO COC(=O)[C@@](C)([NH3+])Cn1cnc2ccccc21 ZINC000045434515 538992623 /nfs/dbraw/zinc/99/26/23/538992623.db2.gz ZRSYRDLQDZDTQM-LBPRGKRZSA-N 1 1 233.271 0.927 50 0 BCAAMO COC(=O)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000042338136 361980280 /nfs/dbraw/zinc/98/02/80/361980280.db2.gz SOMSTGULUPTPGO-SECBINFHSA-N 1 1 201.266 0.660 50 0 BCAAMO C[C@H]1C[C@@H](NC(=O)C(F)(F)F)CC[NH2+]1 ZINC000225774729 342847897 /nfs/dbraw/zinc/84/78/97/342847897.db2.gz IYBWTJNKVSEMJE-WDSKDSINSA-N 1 1 210.199 0.805 50 0 BCAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CC(C)C)C1 ZINC000229922386 342855424 /nfs/dbraw/zinc/85/54/24/342855424.db2.gz ZTCDHAWKEYDBCR-MNOVXSKESA-N 1 1 248.392 0.902 50 0 BCAAMO C[N@H+](CCOc1ccc(F)cc1)CC(N)=O ZINC000015101305 342892070 /nfs/dbraw/zinc/89/20/70/342892070.db2.gz UZKFTEIYANLTJT-UHFFFAOYSA-N 1 1 226.251 0.622 50 0 BCAAMO C[N@@H+](CCOc1ccc(F)cc1)CC(N)=O ZINC000015101305 342892071 /nfs/dbraw/zinc/89/20/71/342892071.db2.gz UZKFTEIYANLTJT-UHFFFAOYSA-N 1 1 226.251 0.622 50 0 BCAAMO CC(C)C12CN3CC(C[N@@H+](C1)CC3)C2=O ZINC000019446099 342948986 /nfs/dbraw/zinc/94/89/86/342948986.db2.gz HYZGGIWTMCMPLY-UHFFFAOYSA-N 1 1 208.305 0.459 50 0 BCAAMO CC(=O)N1CC[NH+](Cc2ccccc2N)CC1 ZINC000019400009 342947462 /nfs/dbraw/zinc/94/74/62/342947462.db2.gz KSCUHNDQOMDKBP-UHFFFAOYSA-N 1 1 233.315 0.933 50 0 BCAAMO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)o1 ZINC000019772585 342956958 /nfs/dbraw/zinc/95/69/58/342956958.db2.gz MPYPYHOSYQGYDM-VIFPVBQESA-N 1 1 229.301 0.865 50 0 BCAAMO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)o1 ZINC000019772584 342957019 /nfs/dbraw/zinc/95/70/19/342957019.db2.gz MPYPYHOSYQGYDM-SECBINFHSA-N 1 1 229.301 0.865 50 0 BCAAMO C[N@H+](CCC(=O)[O-])C1CC[NH+](C)CC1 ZINC000019735733 342955266 /nfs/dbraw/zinc/95/52/66/342955266.db2.gz SNOACIUHABWAHG-UHFFFAOYSA-N 1 1 200.282 0.487 50 0 BCAAMO C[N@@H+](CCC(=O)[O-])C1CC[NH+](C)CC1 ZINC000019735733 342955267 /nfs/dbraw/zinc/95/52/67/342955267.db2.gz SNOACIUHABWAHG-UHFFFAOYSA-N 1 1 200.282 0.487 50 0 BCAAMO Cc1ccc(C[NH2+]CCNCCO)cc1 ZINC000022074961 343039604 /nfs/dbraw/zinc/03/96/04/343039604.db2.gz UOAUGUHLYWTONT-UHFFFAOYSA-N 1 1 208.305 0.667 50 0 BCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)COC ZINC000048313841 343241513 /nfs/dbraw/zinc/24/15/13/343241513.db2.gz MFQRTNCWOGOKIE-SECBINFHSA-N 1 1 200.282 0.233 50 0 BCAAMO CC[NH+]1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 ZINC000032764337 343242150 /nfs/dbraw/zinc/24/21/50/343242150.db2.gz CAYYGGJVSFLIQR-UHFFFAOYSA-N 1 1 249.314 0.163 50 0 BCAAMO CN(CCN1CCOCC1)C1CC[NH2+]CC1 ZINC000032919231 343244490 /nfs/dbraw/zinc/24/44/90/343244490.db2.gz QYKRHZNUFPPAIW-UHFFFAOYSA-N 1 1 227.352 0.002 50 0 BCAAMO CN1CCC([N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000758059 343269880 /nfs/dbraw/zinc/26/98/80/343269880.db2.gz CUQSEAJUJFRUEV-JTQLQIEISA-N 1 1 225.336 0.278 50 0 BCAAMO O=S(=O)(c1cccs1)N1CC[NH2+]CC1 ZINC000036117291 343309366 /nfs/dbraw/zinc/30/93/66/343309366.db2.gz JEVLAMZYGHEJIS-UHFFFAOYSA-N 1 1 232.330 0.342 50 0 BCAAMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000036379736 343317573 /nfs/dbraw/zinc/31/75/73/343317573.db2.gz WJKVORFSSQRLKC-LLVKDONJSA-N 1 1 240.328 0.549 50 0 BCAAMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000044941858 343519627 /nfs/dbraw/zinc/51/96/27/343519627.db2.gz FDXHTQQQRPQBRK-VXGBXAGGSA-N 1 1 248.330 0.777 50 0 BCAAMO CC(=O)N1CC[NH2+]C[C@H]1c1cccc(C(N)=O)c1 ZINC000072344372 187276582 /nfs/dbraw/zinc/27/65/82/187276582.db2.gz HRTRKTFHWAPPIU-LBPRGKRZSA-N 1 1 247.298 0.278 50 0 BCAAMO CC1(C)C[N@H+](CCS(C)(=O)=O)C[C@]1(C)O ZINC000091594569 187286829 /nfs/dbraw/zinc/28/68/29/187286829.db2.gz XADWWUDPEZZYNB-JTQLQIEISA-N 1 1 235.349 0.124 50 0 BCAAMO CC1(C)C[N@@H+](CCS(C)(=O)=O)C[C@]1(C)O ZINC000091594569 187286831 /nfs/dbraw/zinc/28/68/31/187286831.db2.gz XADWWUDPEZZYNB-JTQLQIEISA-N 1 1 235.349 0.124 50 0 BCAAMO CC(C)N1CC[C@@H](ON=C(N)C[NH+](C)C)C1=O ZINC000585137247 344149347 /nfs/dbraw/zinc/14/93/47/344149347.db2.gz OJIIEIOHLKLZHT-SECBINFHSA-N 1 1 242.323 0.056 50 0 BCAAMO CC1(C)CN(c2nc(N)cc[nH+]2)C[C@]1(C)O ZINC000091563346 344282177 /nfs/dbraw/zinc/28/21/77/344282177.db2.gz CKOAEUNOUXYING-NSHDSACASA-N 1 1 222.292 0.656 50 0 BCAAMO O[C@@H]1C[C@H]2CN[C@@H](C3CCCCC3)C[N@H+]2C1 ZINC000072233374 344519377 /nfs/dbraw/zinc/51/93/77/344519377.db2.gz ARCAYTUTJNPLBM-YNEHKIRRSA-N 1 1 224.348 0.974 50 0 BCAAMO O[C@@H]1C[C@H]2C[NH2+][C@@H](C3CCCCC3)CN2C1 ZINC000072233374 344519379 /nfs/dbraw/zinc/51/93/79/344519379.db2.gz ARCAYTUTJNPLBM-YNEHKIRRSA-N 1 1 224.348 0.974 50 0 BCAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000249279827 537872955 /nfs/dbraw/zinc/87/29/55/537872955.db2.gz MLMJADGXKSDBHC-NEPJUHHUSA-N 1 1 240.347 0.966 50 0 BCAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1 ZINC000394359253 344902674 /nfs/dbraw/zinc/90/26/74/344902674.db2.gz JWVKQWGZXDDGNL-BDAKNGLRSA-N 1 1 235.291 0.113 50 0 BCAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(N)=O)o1 ZINC000005026014 344907008 /nfs/dbraw/zinc/90/70/08/344907008.db2.gz GVKGPKIXNOJEGY-VDTYLAMSSA-N 1 1 244.320 0.693 50 0 BCAAMO COC(=O)[C@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000000420960 345595125 /nfs/dbraw/zinc/59/51/25/345595125.db2.gz ULUUNKZJDZWFPJ-BYPYZUCNSA-N 1 1 228.277 0.295 50 0 BCAAMO C[C@H]1C[N@H+](CCN2CCOC2=O)CC(C)(C)O1 ZINC000068475583 537943180 /nfs/dbraw/zinc/94/31/80/537943180.db2.gz LJMGNHXYDVUAHU-JTQLQIEISA-N 1 1 242.319 0.938 50 0 BCAAMO C[C@H]1C[N@@H+](CCN2CCOC2=O)CC(C)(C)O1 ZINC000068475583 537943185 /nfs/dbraw/zinc/94/31/85/537943185.db2.gz LJMGNHXYDVUAHU-JTQLQIEISA-N 1 1 242.319 0.938 50 0 BCAAMO Cc1cccc(N(C)CC(C)(CO)CO)[nH+]1 ZINC000158090897 179116884 /nfs/dbraw/zinc/11/68/84/179116884.db2.gz FRQMGEMPJRZFOH-UHFFFAOYSA-N 1 1 224.304 0.817 50 0 BCAAMO Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000222334533 179123725 /nfs/dbraw/zinc/12/37/25/179123725.db2.gz NXHUKXMYKXAVIZ-NEPJUHHUSA-N 1 1 233.315 0.909 50 0 BCAAMO C[C@H](C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000007334728 346660131 /nfs/dbraw/zinc/66/01/31/346660131.db2.gz KYQWZAHBFNPQHH-SECBINFHSA-N 1 1 204.273 0.919 50 0 BCAAMO C[C@H](C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000007334728 346660132 /nfs/dbraw/zinc/66/01/32/346660132.db2.gz KYQWZAHBFNPQHH-SECBINFHSA-N 1 1 204.273 0.919 50 0 BCAAMO CC(C)=CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000043067234 348651286 /nfs/dbraw/zinc/65/12/86/348651286.db2.gz XMXNWGTYOPVJEA-UHFFFAOYSA-N 1 1 246.376 0.920 50 0 BCAAMO CC(C)=CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000043067234 348651290 /nfs/dbraw/zinc/65/12/90/348651290.db2.gz XMXNWGTYOPVJEA-UHFFFAOYSA-N 1 1 246.376 0.920 50 0 BCAAMO COC(=O)[C@@H](C)CN1CC[NH+](C)CC1 ZINC000022038902 350066338 /nfs/dbraw/zinc/06/63/38/350066338.db2.gz NEGSKFUJWKNKHR-VIFPVBQESA-N 1 1 200.282 0.043 50 0 BCAAMO O=C1[C@@H]([N@H+]2CC[C@@H](CO)C2)CCN1C1CC1 ZINC000336669156 350865212 /nfs/dbraw/zinc/86/52/12/350865212.db2.gz HVUVAZAABQSEPT-KOLCDFICSA-N 1 1 224.304 0.064 50 0 BCAAMO Cc1n[nH]cc1CN[C@@H]1CCCCNC1=O ZINC000036977496 188254807 /nfs/dbraw/zinc/25/48/07/188254807.db2.gz HPDGQTQBCKDLKS-SNVBAGLBSA-N 1 1 222.292 0.476 50 0 BCAAMO C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000048919801 188297567 /nfs/dbraw/zinc/29/75/67/188297567.db2.gz IRPALRHUXNHJRC-VIFPVBQESA-N 1 1 244.298 0.997 50 0 BCAAMO CCn1ncc(NC(=O)Cn2cc[nH+]c2C)n1 ZINC000048488850 188298148 /nfs/dbraw/zinc/29/81/48/188298148.db2.gz VKPJTJFSABQBMJ-UHFFFAOYSA-N 1 1 234.263 0.442 50 0 BCAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cnsn1 ZINC000089938823 188317748 /nfs/dbraw/zinc/31/77/48/188317748.db2.gz CHJKNBPWPOIIRL-ZETCQYMHSA-N 1 1 226.305 0.314 50 0 BCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cnsn1 ZINC000089938823 188317750 /nfs/dbraw/zinc/31/77/50/188317750.db2.gz CHJKNBPWPOIIRL-ZETCQYMHSA-N 1 1 226.305 0.314 50 0 BCAAMO Cc1nc2c(ncnc2NCC[NH+](C)C)[nH]1 ZINC000057279827 188355496 /nfs/dbraw/zinc/35/54/96/188355496.db2.gz WINBSRUJJGADKY-UHFFFAOYSA-N 1 1 220.280 0.635 50 0 BCAAMO C/C=C/C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021960 188360034 /nfs/dbraw/zinc/36/00/34/188360034.db2.gz FXDGLTANTJSDFQ-DUXPYHPUSA-N 1 1 248.330 0.603 50 0 BCAAMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCCn1ccnc1 ZINC000096485819 188366794 /nfs/dbraw/zinc/36/67/94/188366794.db2.gz UCIMMQLKNTYOKF-LLVKDONJSA-N 1 1 238.335 0.682 50 0 BCAAMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)NC1CC1 ZINC000046092139 353413291 /nfs/dbraw/zinc/41/32/91/353413291.db2.gz DMEAHACDGHTSTG-JTQLQIEISA-N 1 1 238.331 0.766 50 0 BCAAMO NC(=[NH2+])NCCc1nc2ccc(F)cc2[nH]1 ZINC000021984692 181189832 /nfs/dbraw/zinc/18/98/32/181189832.db2.gz XLJNGTMDAPPDHN-UHFFFAOYSA-N 1 1 221.239 0.728 50 0 BCAAMO NC(=O)C1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000016696977 181213918 /nfs/dbraw/zinc/21/39/18/181213918.db2.gz YITYNCSQCPGDGO-UHFFFAOYSA-N 1 1 233.315 0.465 50 0 BCAAMO NC(=O)CC[N@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091547680 181223797 /nfs/dbraw/zinc/22/37/97/181223797.db2.gz CPLHEOZENOUALP-ZDUSSCGKSA-N 1 1 240.347 0.736 50 0 BCAAMO NC(=O)C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000047776367 181229738 /nfs/dbraw/zinc/22/97/38/181229738.db2.gz SZGGQJZRISOIAO-GHMZBOCLSA-N 1 1 242.319 0.132 50 0 BCAAMO NC(=O)C[N@H+](CCCO)Cc1ccccc1 ZINC000071900606 181229882 /nfs/dbraw/zinc/22/98/82/181229882.db2.gz YMEPHDWJSFPXKS-UHFFFAOYSA-N 1 1 222.288 0.356 50 0 BCAAMO NC(=O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000071900606 181229884 /nfs/dbraw/zinc/22/98/84/181229884.db2.gz YMEPHDWJSFPXKS-UHFFFAOYSA-N 1 1 222.288 0.356 50 0 BCAAMO NC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050266847 181233249 /nfs/dbraw/zinc/23/32/49/181233249.db2.gz JGONJCYCUZRGQF-NSHDSACASA-N 1 1 204.273 0.961 50 0 BCAAMO NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000058296521 181233366 /nfs/dbraw/zinc/23/33/66/181233366.db2.gz HYDSMOCMYAELSC-UHFFFAOYSA-N 1 1 220.272 0.278 50 0 BCAAMO NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000058296521 181233367 /nfs/dbraw/zinc/23/33/67/181233367.db2.gz HYDSMOCMYAELSC-UHFFFAOYSA-N 1 1 220.272 0.278 50 0 BCAAMO C1COC2(CCC([NH+]3CCNCC3)CC2)O1 ZINC000038086688 356369067 /nfs/dbraw/zinc/36/90/67/356369067.db2.gz QKVRNVRGDPVBCE-UHFFFAOYSA-N 1 1 226.320 0.577 50 0 BCAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1N ZINC000020294209 181270170 /nfs/dbraw/zinc/27/01/70/181270170.db2.gz GVQDTMFDMGDPEH-NSHDSACASA-N 1 1 219.288 0.719 50 0 BCAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203906 181271380 /nfs/dbraw/zinc/27/13/80/181271380.db2.gz HNAGHMKIPMKKBB-LLVKDONJSA-N 1 1 204.273 0.994 50 0 BCAAMO NC(=O)[C@@H]1CSCC[N@@H+]1CCCF ZINC000170591270 181272502 /nfs/dbraw/zinc/27/25/02/181272502.db2.gz PXAUKKVFMNCTGK-ZETCQYMHSA-N 1 1 206.286 0.249 50 0 BCAAMO NC(=O)[C@@H]1CSCC[N@H+]1CCCF ZINC000170591270 181272504 /nfs/dbraw/zinc/27/25/04/181272504.db2.gz 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/nfs/dbraw/zinc/06/25/76/173062576.db2.gz KVWJZQZWLVHXQI-CHWSQXEVSA-N 1 1 242.363 0.290 50 0 BCAAMO C[NH+]1CCN(C(=O)COCC(F)(F)F)CC1 ZINC000065541298 173067293 /nfs/dbraw/zinc/06/72/93/173067293.db2.gz ATLVLJBWYRRHSZ-UHFFFAOYSA-N 1 1 240.225 0.339 50 0 BCAAMO C[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000020388245 173079223 /nfs/dbraw/zinc/07/92/23/173079223.db2.gz XQGSKBNXBKRXSZ-UHFFFAOYSA-N 1 1 247.342 0.550 50 0 BCAAMO CN1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC000019362183 173081755 /nfs/dbraw/zinc/08/17/55/173081755.db2.gz LAJJJUTXUOFUSR-GFCCVEGCSA-N 1 1 211.353 0.766 50 0 BCAAMO CN1CC[NH+](CCc2ccncc2)CC1 ZINC000032679757 173082072 /nfs/dbraw/zinc/08/20/72/173082072.db2.gz MNWNDCOKUSJHRP-UHFFFAOYSA-N 1 1 205.305 0.872 50 0 BCAAMO CN1CC[NH+](CCOc2ccccc2N)CC1 ZINC000023291731 173083941 /nfs/dbraw/zinc/08/39/41/173083941.db2.gz YSKLCWCAHUOZGG-UHFFFAOYSA-N 1 1 235.331 0.895 50 0 BCAAMO CN1CCN(C[C@H]2CCCCC[NH2+]2)CC1 ZINC000022204728 173085456 /nfs/dbraw/zinc/08/54/56/173085456.db2.gz IZISZCRXNZKANJ-GFCCVEGCSA-N 1 1 211.353 0.766 50 0 BCAAMO C[NH+]1CCN(NC(=O)c2ccccc2F)CC1 ZINC000005525542 173092895 /nfs/dbraw/zinc/09/28/95/173092895.db2.gz ZNEMXWYSVHIFPA-UHFFFAOYSA-N 1 1 237.278 0.718 50 0 BCAAMO C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000008064134 173096209 /nfs/dbraw/zinc/09/62/09/173096209.db2.gz DOULBPBCPLDHIH-UHFFFAOYSA-N 1 1 244.302 0.414 50 0 BCAAMO CN1CC[C@H]([N@H+]2CCCC[C@@H]2CCO)C1=O ZINC000070583934 173150830 /nfs/dbraw/zinc/15/08/30/173150830.db2.gz BVPWBISYHDAEDQ-MNOVXSKESA-N 1 1 226.320 0.454 50 0 BCAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccn[nH]1)C2 ZINC000067946580 173206101 /nfs/dbraw/zinc/20/61/01/173206101.db2.gz MEEYGGYKYNPCGV-VHSXEESVSA-N 1 1 234.303 0.718 50 0 BCAAMO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc[nH]n1)C2 ZINC000067946580 173206104 /nfs/dbraw/zinc/20/61/04/173206104.db2.gz MEEYGGYKYNPCGV-VHSXEESVSA-N 1 1 234.303 0.718 50 0 BCAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc[nH]n1)C2 ZINC000067946580 173206109 /nfs/dbraw/zinc/20/61/09/173206109.db2.gz MEEYGGYKYNPCGV-VHSXEESVSA-N 1 1 234.303 0.718 50 0 BCAAMO CNC(=O)CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000336268803 173251577 /nfs/dbraw/zinc/25/15/77/173251577.db2.gz NSDLEZWJWCPRJY-SNVBAGLBSA-N 1 1 202.273 0.947 50 0 BCAAMO CNC(=O)CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000095978839 173251882 /nfs/dbraw/zinc/25/18/82/173251882.db2.gz NOWLODAJPQZVRF-SECBINFHSA-N 1 1 214.309 0.358 50 0 BCAAMO CNC(=O)C[NH+]1CCC(Nc2ncccn2)CC1 ZINC000046485395 173273412 /nfs/dbraw/zinc/27/34/12/173273412.db2.gz RTBPFUCGVNBLED-UHFFFAOYSA-N 1 1 249.318 0.099 50 0 BCAAMO CNC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000064554113 173285260 /nfs/dbraw/zinc/28/52/60/173285260.db2.gz IKXGXKKTKWZQKK-UHFFFAOYSA-N 1 1 248.330 0.929 50 0 BCAAMO CNC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000064554113 173285261 /nfs/dbraw/zinc/28/52/61/173285261.db2.gz IKXGXKKTKWZQKK-UHFFFAOYSA-N 1 1 248.330 0.929 50 0 BCAAMO CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000095452826 173285312 /nfs/dbraw/zinc/28/53/12/173285312.db2.gz HGLBIONVTFJBPS-VHSXEESVSA-N 1 1 211.309 0.742 50 0 BCAAMO CNC(=O)NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036396789 173286702 /nfs/dbraw/zinc/28/67/02/173286702.db2.gz AMIQGBPYRCEEPY-AOOOYVTPSA-N 1 1 241.335 0.810 50 0 BCAAMO COCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056213 174050905 /nfs/dbraw/zinc/05/09/05/174050905.db2.gz CFXFCAUCDKPLFG-MXWKQRLJSA-N 1 1 244.335 0.247 50 0 BCAAMO COCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106056213 174050907 /nfs/dbraw/zinc/05/09/07/174050907.db2.gz CFXFCAUCDKPLFG-MXWKQRLJSA-N 1 1 244.335 0.247 50 0 BCAAMO COCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000046954795 174051029 /nfs/dbraw/zinc/05/10/29/174051029.db2.gz WPMPVXDTRKABLO-MNOVXSKESA-N 1 1 228.336 0.869 50 0 BCAAMO COCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000046954797 174051245 /nfs/dbraw/zinc/05/12/45/174051245.db2.gz WPMPVXDTRKABLO-QWRGUYRKSA-N 1 1 228.336 0.869 50 0 BCAAMO COCCCCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000079106793 174180556 /nfs/dbraw/zinc/18/05/56/174180556.db2.gz JWAILYANAWPDQN-MNOVXSKESA-N 1 1 244.335 0.378 50 0 BCAAMO COCC[N@H+](CC(N)=O)[C@H]1C=CCCC1 ZINC000066497305 174288380 /nfs/dbraw/zinc/28/83/80/174288380.db2.gz BEAXRJFUZXVXKI-JTQLQIEISA-N 1 1 212.293 0.529 50 0 BCAAMO COCC[N@@H+](CC(N)=O)[C@H]1C=CCCC1 ZINC000066497305 174288382 /nfs/dbraw/zinc/28/83/82/174288382.db2.gz BEAXRJFUZXVXKI-JTQLQIEISA-N 1 1 212.293 0.529 50 0 BCAAMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cn1 ZINC000089938580 175057049 /nfs/dbraw/zinc/05/70/49/175057049.db2.gz CJBSKLJYDJRBQH-SNVBAGLBSA-N 1 1 249.314 0.866 50 0 BCAAMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000089938580 175057050 /nfs/dbraw/zinc/05/70/50/175057050.db2.gz CJBSKLJYDJRBQH-SNVBAGLBSA-N 1 1 249.314 0.866 50 0 BCAAMO COc1ccc(NC(=O)C[NH+](C)C)c(C)n1 ZINC000097101819 175141734 /nfs/dbraw/zinc/14/17/34/175141734.db2.gz RLXWMPCKRJATQC-UHFFFAOYSA-N 1 1 223.276 0.899 50 0 BCAAMO COc1cccc(C[NH2+]CCNCCO)c1 ZINC000022075976 175264283 /nfs/dbraw/zinc/26/42/83/175264283.db2.gz ZRCFZPQPAYUDAM-UHFFFAOYSA-N 1 1 224.304 0.367 50 0 BCAAMO COc1ncc(C[N@@H+](CCO)C(C)C)c(C)n1 ZINC000330382608 175397693 /nfs/dbraw/zinc/39/76/93/175397693.db2.gz JAQDKBGILVCMQU-UHFFFAOYSA-N 1 1 239.319 0.996 50 0 BCAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000007486530 176069066 /nfs/dbraw/zinc/06/90/66/176069066.db2.gz XWIDPCLJHDLGGM-SECBINFHSA-N 1 1 239.319 0.849 50 0 BCAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccn[nH]2)C1 ZINC000044533594 176098730 /nfs/dbraw/zinc/09/87/30/176098730.db2.gz PTMQVXYZCAECAE-SNVBAGLBSA-N 1 1 236.319 0.871 50 0 BCAAMO C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000131857103 176257878 /nfs/dbraw/zinc/25/78/78/176257878.db2.gz ZHASAPYCVOCJDP-NQBHXWOUSA-N 1 1 247.342 0.895 50 0 BCAAMO C[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CCN1 ZINC000237609517 177217241 /nfs/dbraw/zinc/21/72/41/177217241.db2.gz QHUCDTDLKXRTNK-AAEUAGOBSA-N 1 1 247.342 0.897 50 0 BCAAMO C[C@@H](O)C[N@H+]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000071864464 177266535 /nfs/dbraw/zinc/26/65/35/177266535.db2.gz CBBKPEYAYHIIDT-QWHCGFSZSA-N 1 1 249.358 0.969 50 0 BCAAMO C[C@H]1C[C@@]2(NC(=O)NC2=O)[C@@H](C)C[N@H+]1C ZINC000019882784 177353071 /nfs/dbraw/zinc/35/30/71/177353071.db2.gz PTZHSPUSMKLXAU-MHYGZLNHSA-N 1 1 211.265 0.765 50 0 BCAAMO Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000534640758 323157358 /nfs/dbraw/zinc/15/73/58/323157358.db2.gz ABRXNMKRKZLPNJ-GDNZZTSVSA-N 1 1 249.314 0.844 50 0 BCAAMO Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000534640758 323157359 /nfs/dbraw/zinc/15/73/59/323157359.db2.gz ABRXNMKRKZLPNJ-GDNZZTSVSA-N 1 1 249.314 0.844 50 0 BCAAMO CC(C)=CCC12CN3CC(C[N@@H+](C1)CC3)[C@H]2O ZINC000244811556 519403080 /nfs/dbraw/zinc/40/30/80/519403080.db2.gz SGUYGPZNFBZUMP-ROKHWSDSSA-N 1 1 236.359 0.951 50 0 BCAAMO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000178408845 522053981 /nfs/dbraw/zinc/05/39/81/522053981.db2.gz MRTBXDJMMIKFIP-WCQYABFASA-N 1 1 247.342 0.754 50 0 BCAAMO CCc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)n[nH]1 ZINC000154081719 523760481 /nfs/dbraw/zinc/76/04/81/523760481.db2.gz JZNXADPUOIECHL-RKDXNWHRSA-N 1 1 236.319 0.795 50 0 BCAAMO C[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC(C)(C)O1 ZINC000088372115 524519398 /nfs/dbraw/zinc/51/93/98/524519398.db2.gz RRKKBCLUKIWCLK-VHSXEESVSA-N 1 1 242.319 0.001 50 0 BCAAMO C[C@H](CO)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000242155938 524560961 /nfs/dbraw/zinc/56/09/61/524560961.db2.gz WUNUYGMPQOSIBC-CHWFTXMASA-N 1 1 228.336 0.745 50 0 BCAAMO C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC(C)(C)O1 ZINC000088372112 524839486 /nfs/dbraw/zinc/83/94/86/524839486.db2.gz RRKKBCLUKIWCLK-ZJUUUORDSA-N 1 1 242.319 0.001 50 0 BCAAMO C[C@H](O)C[N@H+]1CCN(Cc2cccnc2)C[C@H]1C ZINC000247010069 525771326 /nfs/dbraw/zinc/77/13/26/525771326.db2.gz CBBKPEYAYHIIDT-OLZOCXBDSA-N 1 1 249.358 0.969 50 0 BCAAMO C[NH+]1CCN(c2cc(N)c(N)cc2F)CC1 ZINC000039150225 536420117 /nfs/dbraw/zinc/42/01/17/536420117.db2.gz CCAMLNGJMVMMOV-UHFFFAOYSA-N 1 1 224.283 0.742 50 0 BCAAMO CC(C)CS(=O)(=O)N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000078898994 566310192 /nfs/dbraw/zinc/31/01/92/566310192.db2.gz NWSLFRPPOXQYOY-UWVGGRQHSA-N 1 1 234.365 0.512 50 0 BCAAMO C[N@H+]1CCC[C@](O)(CN2CCSCC2)C1 ZINC000046087843 583151199 /nfs/dbraw/zinc/15/11/99/583151199.db2.gz CUXNEFFHXRFQHY-LLVKDONJSA-N 1 1 230.377 0.492 50 0 BCAAMO CN1CCC[C@](O)(C[NH+]2CCSCC2)C1 ZINC000046087843 583151201 /nfs/dbraw/zinc/15/12/01/583151201.db2.gz CUXNEFFHXRFQHY-LLVKDONJSA-N 1 1 230.377 0.492 50 0 BCAAMO C[C@@H]1CN(C[C@]2(O)CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000046087837 583150848 /nfs/dbraw/zinc/15/08/48/583150848.db2.gz XGQSWUHFFKVFCU-UPJWGTAASA-N 1 1 242.363 0.552 50 0 BCAAMO OC[C@@H]1CCCC[N@H+]1[C@H]1CN2CCC1CC2 ZINC000299872853 634399258 /nfs/dbraw/zinc/39/92/58/634399258.db2.gz UAIHTPVHZHXYER-STQMWFEESA-N 1 1 224.348 0.927 50 0 BCAAMO CC(C)C[N@H+]1CCN(C)[C@@H](CCO)C1 ZINC000032573359 642382954 /nfs/dbraw/zinc/38/29/54/642382954.db2.gz ULPSRGOTMBFYBN-NSHDSACASA-N 1 1 200.326 0.641 50 0 BCAAMO Cc1cccc(OCCOCC[NH2+]CCN)c1 ZINC000022079103 643428014 /nfs/dbraw/zinc/42/80/14/643428014.db2.gz HOCOJJIKJQEXRR-UHFFFAOYSA-N 1 1 238.331 0.939 50 0 BCAAMO C[N@@H+](CCn1cc[nH]c1=O)CC1(C)COC1 ZINC000244734967 644514407 /nfs/dbraw/zinc/51/44/07/644514407.db2.gz NQQVTLDQPQDWBU-UHFFFAOYSA-N 1 1 225.292 0.145 50 0 BCAAMO CN(CCn1cnnc1)C[C@H]1CCC[NH2+]C1 ZINC000707298291 712169376 /nfs/dbraw/zinc/16/93/76/712169376.db2.gz PDWLQSCRRYKWDE-NSHDSACASA-N 1 1 223.324 0.210 50 0 BCAAMO C=CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037828537 712768573 /nfs/dbraw/zinc/76/85/73/712768573.db2.gz QGLONKSTCBGKJD-LLVKDONJSA-N 1 1 224.304 0.496 50 0 BCAAMO CC1(C)C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1O ZINC000335310127 344000980 /nfs/dbraw/zinc/00/09/80/344000980.db2.gz GKQZZHWHJFSMCT-BQBZGAKWSA-N 1 1 227.226 0.612 50 0 BCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC(C)C ZINC000004497870 342748392 /nfs/dbraw/zinc/74/83/92/342748392.db2.gz JSZKUQDYHWMUDH-SNVBAGLBSA-N 1 1 241.335 0.112 50 0 BCAAMO Cc1cc(C(=O)NN2CC[NH+](C)CC2)cs1 ZINC000004749965 342751565 /nfs/dbraw/zinc/75/15/65/342751565.db2.gz QWWYSVSWZKUCSF-UHFFFAOYSA-N 1 1 239.344 0.949 50 0 BCAAMO CC[N@@H+]1C[C@H](NS(=O)(=O)CC(C)C)[C@@H](C)C1 ZINC000229922391 342855475 /nfs/dbraw/zinc/85/54/75/342855475.db2.gz ZTCDHAWKEYDBCR-QWRGUYRKSA-N 1 1 248.392 0.902 50 0 BCAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCO)CC1 ZINC000012958217 342862139 /nfs/dbraw/zinc/86/21/39/342862139.db2.gz LRYRQGKGCIUVON-UHFFFAOYSA-N 1 1 244.335 0.922 50 0 BCAAMO Cc1[nH+]cn(CCc2cn(C)nn2)c1C ZINC000625174617 342901667 /nfs/dbraw/zinc/90/16/67/342901667.db2.gz QGMIQUMOSPGHNG-UHFFFAOYSA-N 1 1 205.265 0.871 50 0 BCAAMO CC[NH+](CC)CCSc1n[nH]c(=S)n1N ZINC000019907225 342962855 /nfs/dbraw/zinc/96/28/55/342962855.db2.gz PZKBDDKGEDBOLC-UHFFFAOYSA-N 1 1 247.393 0.715 50 0 BCAAMO C[C@@H](C(=O)[O-])[N@H+](C)C1CC[NH+](C)CC1 ZINC000019850306 342959848 /nfs/dbraw/zinc/95/98/48/342959848.db2.gz ZXFOVVYHJBDGIS-QMMMGPOBSA-N 1 1 200.282 0.486 50 0 BCAAMO C[C@@H](C(=O)[O-])[N@@H+](C)C1CC[NH+](C)CC1 ZINC000019850306 342959849 /nfs/dbraw/zinc/95/98/49/342959849.db2.gz ZXFOVVYHJBDGIS-QMMMGPOBSA-N 1 1 200.282 0.486 50 0 BCAAMO COC(=O)[C@@](C)([NH3+])Cc1cccc(O)c1 ZINC000019943484 342963866 /nfs/dbraw/zinc/96/38/66/342963866.db2.gz PMYFVLRWWAQHCM-NSHDSACASA-N 1 1 209.245 0.825 50 0 BCAAMO O=C([C@H]1CSC[NH2+]1)N1CCSCC1 ZINC000020257308 342978934 /nfs/dbraw/zinc/97/89/34/342978934.db2.gz BKNGVTWIZZPKBB-SSDOTTSWSA-N 1 1 218.347 0.224 50 0 BCAAMO Cc1ccc(C[NH+]2CCN(CC(N)=O)CC2)cc1 ZINC000020367234 342984161 /nfs/dbraw/zinc/98/41/61/342984161.db2.gz HUQIZFSTWVHEPG-UHFFFAOYSA-N 1 1 247.342 0.598 50 0 BCAAMO Nc1ccccc1C[NH+]1CCN(CCO)CC1 ZINC000023247915 343062372 /nfs/dbraw/zinc/06/23/72/343062372.db2.gz RQRNOAANMBUDLF-UHFFFAOYSA-N 1 1 235.331 0.379 50 0 BCAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000023379301 343063951 /nfs/dbraw/zinc/06/39/51/343063951.db2.gz BEGUGULNDJEZKW-JTQLQIEISA-N 1 1 212.293 0.330 50 0 BCAAMO CC(C)(C)OC(=O)NCC[NH2+]CCN 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ZINC000040447974 176269753 /nfs/dbraw/zinc/26/97/53/176269753.db2.gz IXIJYVBQCBGALI-OUAUKWLOSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000040447974 176269754 /nfs/dbraw/zinc/26/97/54/176269754.db2.gz IXIJYVBQCBGALI-OUAUKWLOSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H](C(N)=O)O1 ZINC000083996135 176297962 /nfs/dbraw/zinc/29/79/62/176297962.db2.gz GFYGERQTNRGVGW-VWYCJHECSA-N 1 1 242.319 0.130 50 0 BCAAMO C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000007486531 177073694 /nfs/dbraw/zinc/07/36/94/177073694.db2.gz XWIDPCLJHDLGGM-VIFPVBQESA-N 1 1 239.319 0.849 50 0 BCAAMO C[C@H]1CCCN(C(=O)C[NH+]2CCC(O)CC2)C1 ZINC000040466207 177092191 /nfs/dbraw/zinc/09/21/91/177092191.db2.gz LHECWYNWIVTDPU-NSHDSACASA-N 1 1 240.347 0.702 50 0 BCAAMO C[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CCN1 ZINC000237607701 177217838 /nfs/dbraw/zinc/21/78/38/177217838.db2.gz QHUCDTDLKXRTNK-WCQYABFASA-N 1 1 247.342 0.897 50 0 BCAAMO C[C@H]1CNCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000125713307 177282914 /nfs/dbraw/zinc/28/29/14/177282914.db2.gz LIRXGISLLWERAY-AAEUAGOBSA-N 1 1 247.342 0.897 50 0 BCAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNS(C)(=O)=O)C1 ZINC000040528144 177313788 /nfs/dbraw/zinc/31/37/88/177313788.db2.gz AQRBNGBINIMSCE-AOOOYVTPSA-N 1 1 234.365 0.514 50 0 BCAAMO OC[C@@H]1C[NH+](Cc2ccc(Cl)o2)C[C@H]1CO ZINC000529640479 324369655 /nfs/dbraw/zinc/36/96/55/324369655.db2.gz WOCNZJJUQJZUOV-IUCAKERBSA-N 1 1 245.706 0.966 50 0 BCAAMO COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC000084686881 488080139 /nfs/dbraw/zinc/08/01/39/488080139.db2.gz RRQNDNWXGGQJPA-UWVGGRQHSA-N 1 1 214.309 0.337 50 0 BCAAMO CC[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)CC(C)C)C1 ZINC000084779891 488096586 /nfs/dbraw/zinc/09/65/86/488096586.db2.gz ZTCDHAWKEYDBCR-WDEREUQCSA-N 1 1 248.392 0.902 50 0 BCAAMO O=C1C[N@H+](C2CSCCSC2)CCCN1 ZINC000670454847 487507741 /nfs/dbraw/zinc/50/77/41/487507741.db2.gz ARXFPHCJUKWQMP-UHFFFAOYSA-N 1 1 246.401 0.657 50 0 BCAAMO CC(C)=CC[N@H+]1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000670454892 487507845 /nfs/dbraw/zinc/50/78/45/487507845.db2.gz JDGIWIMZMRSUBW-STQMWFEESA-N 1 1 240.347 0.330 50 0 BCAAMO CSCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000670462548 487516279 /nfs/dbraw/zinc/51/62/79/487516279.db2.gz XRXMZUIVISEPTQ-JTQLQIEISA-N 1 1 246.376 0.170 50 0 BCAAMO C[C@@H](C(=O)NC1CC1)[NH+]1CCSCC1 ZINC000047993809 490168904 /nfs/dbraw/zinc/16/89/04/490168904.db2.gz CJIHKZOCMPYTSR-QMMMGPOBSA-N 1 1 214.334 0.702 50 0 BCAAMO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000178408852 522090305 /nfs/dbraw/zinc/09/03/05/522090305.db2.gz MRTBXDJMMIKFIP-DGCLKSJQSA-N 1 1 247.342 0.754 50 0 BCAAMO C[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC(C)(C)O1 ZINC000088372113 524518699 /nfs/dbraw/zinc/51/86/99/524518699.db2.gz RRKKBCLUKIWCLK-UWVGGRQHSA-N 1 1 242.319 0.001 50 0 BCAAMO CCNc1cc[nH+]c(N2CCC(C(N)=O)CC2)n1 ZINC000065387512 535528087 /nfs/dbraw/zinc/52/80/87/535528087.db2.gz NKUUFUKDMKIPHB-UHFFFAOYSA-N 1 1 249.318 0.610 50 0 BCAAMO N[C@@H](c1nccs1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528706 635551835 /nfs/dbraw/zinc/55/18/35/635551835.db2.gz ZREAADQMVMJNDS-ZDFLMOLOSA-N 1 1 239.344 0.788 50 0 BCAAMO c1nc2c([nH]1)[C@H](c1cnn3cccnc13)[NH2+]CC2 ZINC000067562235 636645008 /nfs/dbraw/zinc/64/50/08/636645008.db2.gz CJFWCCJHXRJDKK-JTQLQIEISA-N 1 1 240.270 0.688 50 0 BCAAMO CC[N@H+]1CC[C@H](CNc2ccc(C(N)=O)cn2)C1 ZINC000111364830 639230596 /nfs/dbraw/zinc/23/05/96/639230596.db2.gz LHCSWYQBCCYPLH-SNVBAGLBSA-N 1 1 248.330 0.934 50 0 BCAAMO OC[C@H]1CNCC[N@@H+]1CCc1ccccc1 ZINC000062610235 641065492 /nfs/dbraw/zinc/06/54/92/641065492.db2.gz VGSCWIFCSJHXBE-CYBMUJFWSA-N 1 1 220.316 0.495 50 0 BCAAMO OC[C@H]1CNCC[N@H+]1CCc1ccccc1 ZINC000062610235 641065495 /nfs/dbraw/zinc/06/54/95/641065495.db2.gz VGSCWIFCSJHXBE-CYBMUJFWSA-N 1 1 220.316 0.495 50 0 BCAAMO CNc1nc(N2CC[NH+](C)CC2)ncc1F ZINC000084499025 641360223 /nfs/dbraw/zinc/36/02/23/641360223.db2.gz HIPFKAAHNKEJOH-UHFFFAOYSA-N 1 1 225.271 0.409 50 0 BCAAMO [NH3+][C@@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000067872881 642716007 /nfs/dbraw/zinc/71/60/07/642716007.db2.gz IRLHJPCKNQWBFT-HTQZYQBOSA-N 1 1 234.303 0.508 50 0 BCAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1cnn(C)c1 ZINC000089937784 644573400 /nfs/dbraw/zinc/57/34/00/644573400.db2.gz RYATZUHBIDAVRZ-ZWNMCFTASA-N 1 1 248.330 0.596 50 0 BCAAMO CCCC12CN3CC(C)(C[N@@H+](C1)CC3)[C@H]2O ZINC000252079194 644833767 /nfs/dbraw/zinc/83/37/67/644833767.db2.gz DZPWSNQGSJMXJQ-PNESKVBLSA-N 1 1 224.348 0.785 50 0 BCAAMO COCc1n[nH]c([C@@H]2C[NH2+]C[C@H]2C2CC2)n1 ZINC000708217647 712183862 /nfs/dbraw/zinc/18/38/62/712183862.db2.gz UHYOSMGXIIBQDT-DTWKUNHWSA-N 1 1 222.292 0.664 50 0 BCAAMO COCc1nc([C@@H]2C[NH2+]C[C@H]2C2CC2)n[nH]1 ZINC000708217647 712183864 /nfs/dbraw/zinc/18/38/64/712183864.db2.gz UHYOSMGXIIBQDT-DTWKUNHWSA-N 1 1 222.292 0.664 50 0 BCAAMO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c1 ZINC000067881710 710877842 /nfs/dbraw/zinc/87/78/42/710877842.db2.gz XZCKXTWQTAEWKS-NEPJUHHUSA-N 1 1 233.315 0.300 50 0 BCAAMO C[NH2+]Cc1ncc(Br)cn1 ZINC000070947452 398142274 /nfs/dbraw/zinc/14/22/74/398142274.db2.gz JHQXQBUCHRWIMO-UHFFFAOYSA-N 1 1 202.055 0.959 50 0 BCAAMO Cc1cc(C[NH2+][C@H]2CCc3ncnn3C2)no1 ZINC000069816562 178041787 /nfs/dbraw/zinc/04/17/87/178041787.db2.gz YKDUFOSNEXFLIR-VIFPVBQESA-N 1 1 233.275 0.679 50 0 BCAAMO CC(C)(C)OC(=O)N1CCC(N)(C[NH3+])CC1 ZINC000071789326 398161500 /nfs/dbraw/zinc/16/15/00/398161500.db2.gz GFRZXIHYVYRFPV-UHFFFAOYSA-N 1 1 229.324 0.674 50 0 BCAAMO CN(C)c1nc(N(C)CCn2cccn2)cc[nH+]1 ZINC000077219968 398254766 /nfs/dbraw/zinc/25/47/66/398254766.db2.gz JFRMBPPKNDBBCM-UHFFFAOYSA-N 1 1 246.318 0.876 50 0 BCAAMO C[N@@H+](CCO)Cc1ccc2c(c1)OCO2 ZINC000004510704 342748188 /nfs/dbraw/zinc/74/81/88/342748188.db2.gz MEFLFEHZYBOHIQ-UHFFFAOYSA-N 1 1 209.245 0.839 50 0 BCAAMO CC[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC000004600390 342749649 /nfs/dbraw/zinc/74/96/49/342749649.db2.gz GROCOQVFEWMGRW-UHFFFAOYSA-N 1 1 227.308 0.076 50 0 BCAAMO 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CC(C)C[N@H+]1C[C@@]2(C)CNC[C@@](C)(C1)C2O ZINC000024540826 343073358 /nfs/dbraw/zinc/07/33/58/343073358.db2.gz QZMMHOCDNJVLGY-YHWZYXNKSA-N 1 1 226.364 0.935 50 0 BCAAMO Nc1ccc(OCC[NH+]2CCOCC2)cc1N ZINC000026511101 343106481 /nfs/dbraw/zinc/10/64/81/343106481.db2.gz IFIRYWCUGOTOFV-UHFFFAOYSA-N 1 1 237.303 0.562 50 0 BCAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]c1=O ZINC000048411513 343262924 /nfs/dbraw/zinc/26/29/24/343262924.db2.gz UOCCHDRYZVHAPT-SNVBAGLBSA-N 1 1 249.314 0.589 50 0 BCAAMO COC(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000034924961 343280418 /nfs/dbraw/zinc/28/04/18/343280418.db2.gz XVVRJVMESFWJGP-SECBINFHSA-N 1 1 200.282 0.185 50 0 BCAAMO COC(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000034924961 343280420 /nfs/dbraw/zinc/28/04/20/343280420.db2.gz XVVRJVMESFWJGP-SECBINFHSA-N 1 1 200.282 0.185 50 0 BCAAMO COC(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000034924961 343280421 /nfs/dbraw/zinc/28/04/21/343280421.db2.gz XVVRJVMESFWJGP-SECBINFHSA-N 1 1 200.282 0.185 50 0 BCAAMO [NH3+][C@@H]1CS[C@@H](CCCCC(=O)[O-])[C@H]1[NH3+] ZINC000034929089 343280739 /nfs/dbraw/zinc/28/07/39/343280739.db2.gz JKNCSZDPWAVQAI-FJXKBIBVSA-N 1 1 218.322 0.401 50 0 in-vitro BCAAMO CCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000389830769 343281557 /nfs/dbraw/zinc/28/15/57/343281557.db2.gz PTVUFWVMBVDDCF-JTQLQIEISA-N 1 1 222.292 0.624 50 0 BCAAMO COC(=O)[C@@H]([NH3+])CCNC(=O)OC(C)(C)C ZINC000038202319 343372998 /nfs/dbraw/zinc/37/29/98/343372998.db2.gz LWOHDYABQSVXIE-ZETCQYMHSA-N 1 1 232.280 0.402 50 0 BCAAMO CCCCN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000042783794 343453614 /nfs/dbraw/zinc/45/36/14/343453614.db2.gz RNJPDCRPJJQLJP-UHFFFAOYSA-N 1 1 236.319 0.928 50 0 BCAAMO CC(C)C[C@H]([NH3+])C(=O)N1CCN[C@H](C)C1 ZINC000155000452 344103961 /nfs/dbraw/zinc/10/39/61/344103961.db2.gz RAPJGLQMLDMTEY-ZJUUUORDSA-N 1 1 213.325 0.180 50 0 BCAAMO CCN(C#N)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000585136306 344148790 /nfs/dbraw/zinc/14/87/90/344148790.db2.gz AHLGAGJRQORHHE-QWHCGFSZSA-N 1 1 236.363 0.958 50 0 BCAAMO Cc1cccc(C)c1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000098012633 179034850 /nfs/dbraw/zinc/03/48/50/179034850.db2.gz COPGRHSNNIRJAR-ZDUSSCGKSA-N 1 1 248.326 0.990 50 0 BCAAMO O=C(C[NH+]1CCC(O)CC1)NC1CCCC1 ZINC000012997207 347471726 /nfs/dbraw/zinc/47/17/26/347471726.db2.gz JVTMLMVECOMYRJ-UHFFFAOYSA-N 1 1 226.320 0.502 50 0 BCAAMO CCCS(=O)(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000076058337 362960842 /nfs/dbraw/zinc/96/08/42/362960842.db2.gz WHXDEHFRYDJICO-VHSXEESVSA-N 1 1 234.365 0.656 50 0 BCAAMO C[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000089920419 362965635 /nfs/dbraw/zinc/96/56/35/362965635.db2.gz IXHPISTWLZQDDU-GXSJLCMTSA-N 1 1 208.305 0.949 50 0 BCAAMO CC(C)[C@H](O)C[N@H+]1CCCC2(C1)OCCO2 ZINC000225635911 191133110 /nfs/dbraw/zinc/13/31/10/191133110.db2.gz AWRPDTNUTOXOEI-LLVKDONJSA-N 1 1 229.320 0.842 50 0 BCAAMO CCCC[C@H](C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000337384582 363137537 /nfs/dbraw/zinc/13/75/37/363137537.db2.gz DPSKQHGFJOSHTJ-WCQYABFASA-N 1 1 242.363 0.996 50 0 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C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](F)C2)CC1 ZINC000334340523 135363544 /nfs/dbraw/zinc/36/35/44/135363544.db2.gz NACHKKDLFMUWAQ-VHSXEESVSA-N 1 1 229.299 0.834 50 0 BCAAMO C[C@@H](F)CCNC(=O)N1CC[NH+](C)CC1 ZINC000335575429 136110700 /nfs/dbraw/zinc/11/07/00/136110700.db2.gz DODBLPBCYDSEMK-SECBINFHSA-N 1 1 217.288 0.692 50 0 BCAAMO COC(=O)[C@H]([NH3+])Cc1ccc(O)c(OC)c1 ZINC000069554644 410010552 /nfs/dbraw/zinc/01/05/52/410010552.db2.gz OSGOAQVFZXVPBZ-MRVPVSSYSA-N 1 1 225.244 0.444 50 0 BCAAMO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036908693 167060555 /nfs/dbraw/zinc/06/05/55/167060555.db2.gz GWLXLAFXLCCXJS-GRYCIOLGSA-N 1 1 241.379 0.829 50 0 BCAAMO NC(=O)C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000049442871 411238429 /nfs/dbraw/zinc/23/84/29/411238429.db2.gz BOERICFWFOBRTD-IXBNRNDTSA-N 1 1 208.305 0.982 50 0 BCAAMO CC1CC[NH+](CN2C(=O)CCC2=O)CC1 ZINC000000298732 168182499 /nfs/dbraw/zinc/18/24/99/168182499.db2.gz WYPDZMIGVDJRCL-UHFFFAOYSA-N 1 1 210.277 0.825 50 0 BCAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007787449 170075967 /nfs/dbraw/zinc/07/59/67/170075967.db2.gz ITJCHDHYVVEESZ-VIFPVBQESA-N 1 1 227.308 0.564 50 0 BCAAMO CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785414 170076189 /nfs/dbraw/zinc/07/61/89/170076189.db2.gz LKQHDGWEUIDOJA-UHFFFAOYSA-N 1 1 249.314 0.964 50 0 BCAAMO CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785414 170076191 /nfs/dbraw/zinc/07/61/91/170076191.db2.gz LKQHDGWEUIDOJA-UHFFFAOYSA-N 1 1 249.314 0.964 50 0 BCAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000069972163 170078752 /nfs/dbraw/zinc/07/87/52/170078752.db2.gz CVEMXUSPAGQFOS-QMMMGPOBSA-N 1 1 245.348 0.269 50 0 BCAAMO CCOC(=O)C1=C(O)C[C@H]2CCCC[N@H+]2C1 ZINC000091301883 170259140 /nfs/dbraw/zinc/25/91/40/170259140.db2.gz VYRNHOMTMFKYMC-NXEZZACHSA-N 1 1 225.288 0.993 50 0 BCAAMO CC[C@@](C)(CNC(=O)COC)[NH+]1CCOCC1 ZINC000041406481 171167177 /nfs/dbraw/zinc/16/71/77/171167177.db2.gz OSMUUWAAEWOIPT-LBPRGKRZSA-N 1 1 244.335 0.250 50 0 BCAAMO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873232 171387369 /nfs/dbraw/zinc/38/73/69/171387369.db2.gz PJFBFHCRAYPBIS-GUBZILKMSA-N 1 1 214.309 0.526 50 0 BCAAMO CCn1cnnc1[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC000225678857 172240069 /nfs/dbraw/zinc/24/00/69/172240069.db2.gz KWPTYASZVKTCLJ-WDEREUQCSA-N 1 1 238.335 0.858 50 0 BCAAMO C[NH+](C)CCNCC(=O)NC1CCCC1 ZINC000020057040 172463931 /nfs/dbraw/zinc/46/39/31/172463931.db2.gz CYTVJADMHSFFCP-UHFFFAOYSA-N 1 1 213.325 0.196 50 0 BCAAMO CN1c2cc3c(cc2[C@H]([NH3+])C1=O)OCCO3 ZINC000040162805 172971454 /nfs/dbraw/zinc/97/14/54/172971454.db2.gz BCZXIDNRJJHFJS-JTQLQIEISA-N 1 1 220.228 0.434 50 0 BCAAMO C[NH+]1CCC([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000019735434 172990649 /nfs/dbraw/zinc/99/06/49/172990649.db2.gz MVVCBMNRXWHOBD-UHFFFAOYSA-N 1 1 226.320 0.877 50 0 BCAAMO C[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N)C1 ZINC000127418979 173042219 /nfs/dbraw/zinc/04/22/19/173042219.db2.gz GRGSUYAPHRHMFV-SNVBAGLBSA-N 1 1 248.330 0.735 50 0 BCAAMO C[N@H+]1CCC[C@H](CNC(=O)c2cnccc2N)C1 ZINC000127418979 173042221 /nfs/dbraw/zinc/04/22/21/173042221.db2.gz GRGSUYAPHRHMFV-SNVBAGLBSA-N 1 1 248.330 0.735 50 0 BCAAMO CN1CCC[C@](O)(C[N@H+]2CCCC[C@H]2CO)C1 ZINC000105789069 173061521 /nfs/dbraw/zinc/06/15/21/173061521.db2.gz KVWJZQZWLVHXQI-QWHCGFSZSA-N 1 1 242.363 0.290 50 0 BCAAMO Cn1cc(CCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000035670745 173066999 /nfs/dbraw/zinc/06/69/99/173066999.db2.gz HJHGOHOUCHKSSQ-UHFFFAOYSA-N 1 1 236.319 0.127 50 0 BCAAMO C[NH+]1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000000792378 173071185 /nfs/dbraw/zinc/07/11/85/173071185.db2.gz WTBSUAXLZLAHPE-UHFFFAOYSA-N 1 1 219.288 0.656 50 0 BCAAMO CN1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000019517854 173077828 /nfs/dbraw/zinc/07/78/28/173077828.db2.gz JVUTULSYUBFRCR-UHFFFAOYSA-N 1 1 211.353 0.895 50 0 BCAAMO C[NH+]1CCN(CC[C@H](O)c2ccc(N)cc2)CC1 ZINC000036276176 173082764 /nfs/dbraw/zinc/08/27/64/173082764.db2.gz YVZSLOQUWYUKTR-AWEZNQCLSA-N 1 1 249.358 0.940 50 0 BCAAMO CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000029594519 173088708 /nfs/dbraw/zinc/08/87/08/173088708.db2.gz LVPZFCXMYKDYOG-UHFFFAOYSA-N 1 1 233.315 0.533 50 0 BCAAMO CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000019362328 173090007 /nfs/dbraw/zinc/09/00/07/173090007.db2.gz YMIQIKXOOKKAKI-UHFFFAOYSA-N 1 1 220.316 0.926 50 0 BCAAMO C[N@H+]1CCN(Cc2ccon2)C[C@H]1CCO ZINC000104357883 173090607 /nfs/dbraw/zinc/09/06/07/173090607.db2.gz OATATIMRSQQDFL-LLVKDONJSA-N 1 1 225.292 0.173 50 0 BCAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(C)(=O)=O)C1 ZINC000098020622 173136387 /nfs/dbraw/zinc/13/63/87/173136387.db2.gz WTNOEVFIOMKGDI-NXEZZACHSA-N 1 1 232.349 0.362 50 0 BCAAMO Cn1ccnc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067769683 173187649 /nfs/dbraw/zinc/18/76/49/173187649.db2.gz ILMFWNSPBSKYKA-MNOVXSKESA-N 1 1 248.330 0.615 50 0 BCAAMO C[N@H+]1Cc2cc3c(cc2[C@H](O)C1)OCO3 ZINC000003847410 173200079 /nfs/dbraw/zinc/20/00/79/173200079.db2.gz CZXBVWOWWSHCJF-SECBINFHSA-N 1 1 207.229 0.894 50 0 BCAAMO C[N@@H+]1Cc2cc3c(cc2[C@H](O)C1)OCO3 ZINC000003847410 173200082 /nfs/dbraw/zinc/20/00/82/173200082.db2.gz CZXBVWOWWSHCJF-SECBINFHSA-N 1 1 207.229 0.894 50 0 BCAAMO CNC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000095434323 173252543 /nfs/dbraw/zinc/25/25/43/173252543.db2.gz PHMNVVCPQXNMEM-NXEZZACHSA-N 1 1 214.309 0.358 50 0 BCAAMO CNC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045309372 173291001 /nfs/dbraw/zinc/29/10/01/173291001.db2.gz WWPWGUGSERGODI-UHFFFAOYSA-N 1 1 233.315 0.974 50 0 BCAAMO COCC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047494670 174051278 /nfs/dbraw/zinc/05/12/78/174051278.db2.gz CFXFCAUCDKPLFG-HBNTYKKESA-N 1 1 244.335 0.247 50 0 BCAAMO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000071886528 174312462 /nfs/dbraw/zinc/31/24/62/174312462.db2.gz JPJLQZKMULOHNG-SNVBAGLBSA-N 1 1 228.336 0.869 50 0 BCAAMO COc1ccc2c(c1)C(=O)[C@H]([NH3+])CCO2 ZINC000062621198 175206437 /nfs/dbraw/zinc/20/64/37/175206437.db2.gz ZOMBTPCGFJEUCY-SECBINFHSA-N 1 1 207.229 0.988 50 0 BCAAMO COc1ccc2nc(CCCNC(N)=[NH2+])[nH]c2c1 ZINC000021984687 175228886 /nfs/dbraw/zinc/22/88/86/175228886.db2.gz WYTDUMXLTSVYNN-UHFFFAOYSA-N 1 1 247.302 0.987 50 0 BCAAMO COc1ccccc1C[NH2+]C1(C(N)=O)CC1 ZINC000191490486 175329290 /nfs/dbraw/zinc/32/92/90/175329290.db2.gz WTYOSIYLURISIR-UHFFFAOYSA-N 1 1 220.272 0.803 50 0 BCAAMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081301041 176094323 /nfs/dbraw/zinc/09/43/23/176094323.db2.gz BBUXWKLOTWSJNI-VXGBXAGGSA-N 1 1 240.347 0.966 50 0 BCAAMO C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081301041 176094324 /nfs/dbraw/zinc/09/43/24/176094324.db2.gz BBUXWKLOTWSJNI-VXGBXAGGSA-N 1 1 240.347 0.966 50 0 BCAAMO C[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CCN1 ZINC000188365538 176248012 /nfs/dbraw/zinc/24/80/12/176248012.db2.gz QHUCDTDLKXRTNK-YPMHNXCESA-N 1 1 247.342 0.897 50 0 BCAAMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+]1CCC[C@H]1C(=O)[O-] ZINC000248116772 176269219 /nfs/dbraw/zinc/26/92/19/176269219.db2.gz IXIJYVBQCBGALI-MXWKQRLJSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+]1CCC[C@H]1C(=O)[O-] ZINC000248116772 176269220 /nfs/dbraw/zinc/26/92/20/176269220.db2.gz IXIJYVBQCBGALI-MXWKQRLJSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000248116772 176269221 /nfs/dbraw/zinc/26/92/21/176269221.db2.gz IXIJYVBQCBGALI-MXWKQRLJSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000248116772 176269222 /nfs/dbraw/zinc/26/92/22/176269222.db2.gz IXIJYVBQCBGALI-MXWKQRLJSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H](CNS(C)(=O)=O)[N@H+]1CCCC[C@@H]1C ZINC000032441235 177079122 /nfs/dbraw/zinc/07/91/22/177079122.db2.gz XHKPBWHKDBZAIO-UWVGGRQHSA-N 1 1 234.365 0.799 50 0 BCAAMO C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081301040 177093435 /nfs/dbraw/zinc/09/34/35/177093435.db2.gz BBUXWKLOTWSJNI-RYUDHWBXSA-N 1 1 240.347 0.966 50 0 BCAAMO C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081301040 177093436 /nfs/dbraw/zinc/09/34/36/177093436.db2.gz BBUXWKLOTWSJNI-RYUDHWBXSA-N 1 1 240.347 0.966 50 0 BCAAMO C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC000068838005 177096806 /nfs/dbraw/zinc/09/68/06/177096806.db2.gz UIYLRTWZSFEVBZ-QMMMGPOBSA-N 1 1 213.281 0.303 50 0 BCAAMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccn[nH]2)C1 ZINC000044533596 177097401 /nfs/dbraw/zinc/09/74/01/177097401.db2.gz PTMQVXYZCAECAE-JTQLQIEISA-N 1 1 236.319 0.871 50 0 BCAAMO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)[C@@H]1CO ZINC000097104335 177156795 /nfs/dbraw/zinc/15/67/95/177156795.db2.gz ICRMEGGHDNEBFI-GXSJLCMTSA-N 1 1 226.320 0.310 50 0 BCAAMO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1 ZINC000162270112 177222205 /nfs/dbraw/zinc/22/22/05/177222205.db2.gz IDJXHUARJVTCDM-DTWKUNHWSA-N 1 1 213.325 0.180 50 0 BCAAMO CC[N@@H+](C)C[C@@H](C)C(=O)NCc1cc[nH]n1 ZINC000534658907 323158088 /nfs/dbraw/zinc/15/80/88/323158088.db2.gz BFNVUVIXMQLLOM-SECBINFHSA-N 1 1 224.308 0.614 50 0 BCAAMO C[C@H]1CCC[N@@H+](CN2C(=O)CCC2=O)C1 ZINC000057352935 488102430 /nfs/dbraw/zinc/10/24/30/488102430.db2.gz UJTKTQWAKYOACD-VIFPVBQESA-N 1 1 210.277 0.825 50 0 BCAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000670433755 487485817 /nfs/dbraw/zinc/48/58/17/487485817.db2.gz SKZLIPGMETUIJH-JTQLQIEISA-N 1 1 249.314 0.658 50 0 BCAAMO O=C1C[N@H+](CC[C@H](O)c2ccccc2)CCCN1 ZINC000670449491 487500727 /nfs/dbraw/zinc/50/07/27/487500727.db2.gz ZHDDGUXXWPHZEY-ZDUSSCGKSA-N 1 1 248.326 0.932 50 0 BCAAMO O=C1C[N@@H+](CC[C@H](O)c2ccccc2)CCCN1 ZINC000670449491 487500728 /nfs/dbraw/zinc/50/07/28/487500728.db2.gz ZHDDGUXXWPHZEY-ZDUSSCGKSA-N 1 1 248.326 0.932 50 0 BCAAMO COCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCOC1 ZINC000670456835 487510453 /nfs/dbraw/zinc/51/04/53/487510453.db2.gz QOSWDRBSZRNXCV-NSHDSACASA-N 1 1 244.335 0.060 50 0 BCAAMO COCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCOC1 ZINC000670456835 487510458 /nfs/dbraw/zinc/51/04/58/487510458.db2.gz QOSWDRBSZRNXCV-NSHDSACASA-N 1 1 244.335 0.060 50 0 BCAAMO C[C@H](O)C[N@@H+](C[C@H]1CCC=CO1)[C@@H](C)CO ZINC000249043242 488174967 /nfs/dbraw/zinc/17/49/67/488174967.db2.gz VIFAEHGXYSEIFV-SDDRHHMPSA-N 1 1 229.320 0.743 50 0 BCAAMO CCOCC[N@H+](C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000248289652 519905144 /nfs/dbraw/zinc/90/51/44/519905144.db2.gz JVCHMTGYGPSSJK-WDEREUQCSA-N 1 1 249.376 0.920 50 0 BCAAMO CCOCC[N@@H+](C)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000248289652 519905146 /nfs/dbraw/zinc/90/51/46/519905146.db2.gz JVCHMTGYGPSSJK-WDEREUQCSA-N 1 1 249.376 0.920 50 0 BCAAMO CCO[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000088372015 520525131 /nfs/dbraw/zinc/52/51/31/520525131.db2.gz ULELVRLVZYREAA-WDEREUQCSA-N 1 1 242.319 0.002 50 0 BCAAMO CCOC(=O)CCN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000253417081 520683958 /nfs/dbraw/zinc/68/39/58/520683958.db2.gz NCYFPHGNLHMDFM-NEPJUHHUSA-N 1 1 240.347 0.966 50 0 BCAAMO CCOC(=O)CC[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000253417081 520683965 /nfs/dbraw/zinc/68/39/65/520683965.db2.gz NCYFPHGNLHMDFM-NEPJUHHUSA-N 1 1 240.347 0.966 50 0 BCAAMO CCOC(=O)CC[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000253417081 520683971 /nfs/dbraw/zinc/68/39/71/520683971.db2.gz NCYFPHGNLHMDFM-NEPJUHHUSA-N 1 1 240.347 0.966 50 0 BCAAMO COC(=O)CCCC[C@@H]1SC[C@H]([NH3+])[C@H]1N ZINC000239309953 523005822 /nfs/dbraw/zinc/00/58/22/523005822.db2.gz HYUWFANHZQTGBO-OYNCUSHFSA-N 1 1 232.349 0.490 50 0 BCAAMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000252511743 523817540 /nfs/dbraw/zinc/81/75/40/523817540.db2.gz KHQVSVQVZHLALE-GMTAPVOTSA-N 1 1 228.336 0.733 50 0 BCAAMO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000252511744 523818234 /nfs/dbraw/zinc/81/82/34/523818234.db2.gz KHQVSVQVZHLALE-HBNTYKKESA-N 1 1 228.336 0.733 50 0 BCAAMO CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000244673541 524080460 /nfs/dbraw/zinc/08/04/60/524080460.db2.gz HQXXLKORRPHZRG-MRVPVSSYSA-N 1 1 248.286 0.789 50 0 BCAAMO CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000244673541 524080461 /nfs/dbraw/zinc/08/04/61/524080461.db2.gz HQXXLKORRPHZRG-MRVPVSSYSA-N 1 1 248.286 0.789 50 0 BCAAMO C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1C[NH3+] ZINC000156719772 524195003 /nfs/dbraw/zinc/19/50/03/524195003.db2.gz RZGRLZUCRUBBRK-KOLCDFICSA-N 1 1 236.319 0.538 50 0 BCAAMO C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC(C)(C)O1 ZINC000088372114 524846300 /nfs/dbraw/zinc/84/63/00/524846300.db2.gz RRKKBCLUKIWCLK-NXEZZACHSA-N 1 1 242.319 0.001 50 0 BCAAMO CCOc1cccc(C[NH2+]CCNCCO)c1 ZINC000022075986 535458223 /nfs/dbraw/zinc/45/82/23/535458223.db2.gz DBSNBZLWIUGHHN-UHFFFAOYSA-N 1 1 238.331 0.757 50 0 BCAAMO c1cc([C@H]2CCC[N@H+](CC3OCCO3)C2)n[nH]1 ZINC000777559193 585715115 /nfs/dbraw/zinc/71/51/15/585715115.db2.gz UQJTUKVWUMVLTB-JTQLQIEISA-N 1 1 237.303 0.962 50 0 BCAAMO N[C@H](c1nccs1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528705 635552287 /nfs/dbraw/zinc/55/22/87/635552287.db2.gz ZREAADQMVMJNDS-OCKNEMTGSA-N 1 1 239.344 0.788 50 0 BCAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)C1(CO)CC1 ZINC000584891865 634177131 /nfs/dbraw/zinc/17/71/31/634177131.db2.gz NNASSQKEFLDUCN-LLVKDONJSA-N 1 1 240.347 0.750 50 0 BCAAMO O=C1C(=O)N(C[NH+]2CCCCC2)[C@@H]2C=CCC=C12 ZINC000022184634 643510771 /nfs/dbraw/zinc/51/07/71/643510771.db2.gz BBKHHHAIJWOSTK-NWDGAFQWSA-N 1 1 246.310 0.952 50 0 BCAAMO CN(C)C(=O)c1cccnc1O[C@H]1CC[N@@H+](C)C1 ZINC000257178647 643648181 /nfs/dbraw/zinc/64/81/81/643648181.db2.gz GTAKDZBWMKECQB-JTQLQIEISA-N 1 1 249.314 0.866 50 0 BCAAMO O[C@@H]1C[C@@H]2CN[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000036351569 343978866 /nfs/dbraw/zinc/97/88/66/343978866.db2.gz SJCVUICPBJVSSE-MGPQQGTHSA-N 1 1 232.327 0.636 50 0 BCAAMO O[C@@H]1C[C@@H]2C[NH2+][C@H](Cc3ccccc3)CN2C1 ZINC000036351569 343978868 /nfs/dbraw/zinc/97/88/68/343978868.db2.gz SJCVUICPBJVSSE-MGPQQGTHSA-N 1 1 232.327 0.636 50 0 BCAAMO C[N@@H+](CCCn1cnnn1)CCc1ccccn1 ZINC000241081872 398160008 /nfs/dbraw/zinc/16/00/08/398160008.db2.gz YRSNNKIIIAPDGQ-UHFFFAOYSA-N 1 1 246.318 0.633 50 0 BCAAMO Cc1cc(N(C)CC[NH+]2CCCC2)nc(N)n1 ZINC000069484236 178098771 /nfs/dbraw/zinc/09/87/71/178098771.db2.gz PVEJQXKZFZEZQS-UHFFFAOYSA-N 1 1 235.335 0.899 50 0 BCAAMO COC(=O)C[C@@H](C(=O)OC)[NH+]1CCCC1 ZINC000003881254 342738606 /nfs/dbraw/zinc/73/86/06/342738606.db2.gz RJQDWVPQOJAKCQ-QMMMGPOBSA-N 1 1 215.249 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CC(C)OC[C@@H](O)C[NH+]1CCN(C(C)C)CC1 ZINC000070194199 167260553 /nfs/dbraw/zinc/26/05/53/167260553.db2.gz RVODSSJTQWIHPV-ZDUSSCGKSA-N 1 1 244.379 0.798 50 0 BCAAMO CC(C)=CC[N@H+]1CCN(CCO)C[C@H]1CCO ZINC000104643391 410941670 /nfs/dbraw/zinc/94/16/70/410941670.db2.gz FJZHPIVREPIIGD-CYBMUJFWSA-N 1 1 242.363 0.314 50 0 BCAAMO CC(C)=CCN1CC[N@H+](CCO)C[C@H]1CCO ZINC000104643391 410941674 /nfs/dbraw/zinc/94/16/74/410941674.db2.gz FJZHPIVREPIIGD-CYBMUJFWSA-N 1 1 242.363 0.314 50 0 BCAAMO CC(C)=CCN1CC[N@@H+](CCO)C[C@H]1CCO ZINC000104643391 410941681 /nfs/dbraw/zinc/94/16/81/410941681.db2.gz FJZHPIVREPIIGD-CYBMUJFWSA-N 1 1 242.363 0.314 50 0 BCAAMO CCCC[N@@H+](CCCOC)CC(N)=O ZINC000048047626 411171780 /nfs/dbraw/zinc/17/17/80/411171780.db2.gz AASNBGKANVAXQE-UHFFFAOYSA-N 1 1 202.298 0.610 50 0 BCAAMO CCNC(=O)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000058172916 170057869 /nfs/dbraw/zinc/05/78/69/170057869.db2.gz DAYDEUBNIKBOCL-SNVBAGLBSA-N 1 1 214.309 0.623 50 0 BCAAMO 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CC[C@H](C)[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000019853062 171319321 /nfs/dbraw/zinc/31/93/21/171319321.db2.gz IRXPZONFCINFHU-JTQLQIEISA-N 1 1 234.365 0.752 50 0 BCAAMO CCc1noc([C@H](C)N2CC[NH+](C)CC2)n1 ZINC000032755021 172090511 /nfs/dbraw/zinc/09/05/11/172090511.db2.gz UOMALGTWVLLEEX-VIFPVBQESA-N 1 1 224.308 0.940 50 0 BCAAMO CCn1nccc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000157141389 172265636 /nfs/dbraw/zinc/26/56/36/172265636.db2.gz WWWWCJNDKVVGOT-SECBINFHSA-N 1 1 222.292 0.210 50 0 BCAAMO CN(C)C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000046092096 172363504 /nfs/dbraw/zinc/36/35/04/172363504.db2.gz PWXKMVAKPCATFN-SNVBAGLBSA-N 1 1 226.320 0.576 50 0 BCAAMO C[NH+]1CCN(C(=O)COc2ccccc2N)CC1 ZINC000022145286 173067623 /nfs/dbraw/zinc/06/76/23/173067623.db2.gz PZVPQRFESOHTOQ-UHFFFAOYSA-N 1 1 249.314 0.422 50 0 BCAAMO C[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328310 173069009 /nfs/dbraw/zinc/06/90/09/173069009.db2.gz HPJXZNFNZVLXSI-UHFFFAOYSA-N 1 1 211.309 0.886 50 0 BCAAMO C[NH+]1CCN(CC(=O)c2ccc(N)cc2)CC1 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ZINC000070582871 173151707 /nfs/dbraw/zinc/15/17/07/173151707.db2.gz AGXKAYCLQCLQML-JTQLQIEISA-N 1 1 205.261 0.402 50 0 BCAAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(C)(=O)=O)C1 ZINC000227376318 173163390 /nfs/dbraw/zinc/16/33/90/173163390.db2.gz WTNOEVFIOMKGDI-UWVGGRQHSA-N 1 1 232.349 0.362 50 0 BCAAMO CNC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000095434322 173252602 /nfs/dbraw/zinc/25/26/02/173252602.db2.gz PHMNVVCPQXNMEM-VHSXEESVSA-N 1 1 214.309 0.358 50 0 BCAAMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000007785421 173287980 /nfs/dbraw/zinc/28/79/80/173287980.db2.gz ZXHWIQUZJUGHAD-JTQLQIEISA-N 1 1 249.314 0.963 50 0 BCAAMO CNC(=O)[C@H]1C[N@H+](CCc2ccccn2)CCO1 ZINC000184082234 173308226 /nfs/dbraw/zinc/30/82/26/173308226.db2.gz XGMATUDIFXHYJL-GFCCVEGCSA-N 1 1 249.314 0.071 50 0 BCAAMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccn2)CCO1 ZINC000184082234 173308227 /nfs/dbraw/zinc/30/82/27/173308227.db2.gz XGMATUDIFXHYJL-GFCCVEGCSA-N 1 1 249.314 0.071 50 0 BCAAMO COCCCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000252537417 174231561 /nfs/dbraw/zinc/23/15/61/174231561.db2.gz LCQVNCFEJOJEPD-LBPRGKRZSA-N 1 1 244.379 0.800 50 0 BCAAMO COCCC[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000252537417 174231564 /nfs/dbraw/zinc/23/15/64/174231564.db2.gz LCQVNCFEJOJEPD-LBPRGKRZSA-N 1 1 244.379 0.800 50 0 BCAAMO COCCC[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000252537417 174231566 /nfs/dbraw/zinc/23/15/66/174231566.db2.gz LCQVNCFEJOJEPD-LBPRGKRZSA-N 1 1 244.379 0.800 50 0 BCAAMO COCC[N@H+](CC(N)=O)Cc1ccc(C)cc1 ZINC000071812710 174288331 /nfs/dbraw/zinc/28/83/31/174288331.db2.gz ONDLATNDVAXQDD-UHFFFAOYSA-N 1 1 236.315 0.929 50 0 BCAAMO COCC[N@@H+](CC(N)=O)Cc1ccc(C)cc1 ZINC000071812710 174288332 /nfs/dbraw/zinc/28/83/32/174288332.db2.gz ONDLATNDVAXQDD-UHFFFAOYSA-N 1 1 236.315 0.929 50 0 BCAAMO COCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000110540803 174305348 /nfs/dbraw/zinc/30/53/48/174305348.db2.gz JVSZVPRNZIBRQK-SNVBAGLBSA-N 1 1 215.293 0.860 50 0 BCAAMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000264564387 174312742 /nfs/dbraw/zinc/31/27/42/174312742.db2.gz RDTJFTKCJVCDIN-GFCCVEGCSA-N 1 1 249.314 0.532 50 0 BCAAMO COCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000020267965 174336977 /nfs/dbraw/zinc/33/69/77/174336977.db2.gz LUSBRLVYVHPMGG-UHFFFAOYSA-N 1 1 233.271 0.659 50 0 BCAAMO COc1cc2c(c(N)c1O)C[N@H+](C)CC2 ZINC000003847400 175019406 /nfs/dbraw/zinc/01/94/06/175019406.db2.gz WBGWHQUWIPRRCG-UHFFFAOYSA-N 1 1 208.261 0.971 50 0 BCAAMO COc1cc2c(c(N)c1O)C[N@@H+](C)CC2 ZINC000003847400 175019408 /nfs/dbraw/zinc/01/94/08/175019408.db2.gz WBGWHQUWIPRRCG-UHFFFAOYSA-N 1 1 208.261 0.971 50 0 BCAAMO COc1ccc(-c2cn(N)c(N)[nH+]2)cc1 ZINC000005285653 175035905 /nfs/dbraw/zinc/03/59/05/175035905.db2.gz RCLBUTFJLZBMBR-UHFFFAOYSA-N 1 1 204.233 0.855 50 0 BCAAMO COc1ccc([C@H]([NH3+])CN2CCN(C)CC2)cc1 ZINC000023066654 175191782 /nfs/dbraw/zinc/19/17/82/175191782.db2.gz GIEDTLUQSFWSEZ-CQSZACIVSA-N 1 1 249.358 0.942 50 0 BCAAMO COc1cccc(C(=O)NN2CC[NH+](C)CC2)c1 ZINC000004611562 175245146 /nfs/dbraw/zinc/24/51/46/175245146.db2.gz QYEDGIZATYLOHT-UHFFFAOYSA-N 1 1 249.314 0.587 50 0 BCAAMO C=CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000037833819 487631757 /nfs/dbraw/zinc/63/17/57/487631757.db2.gz DUHMIPSICNKCAI-GFCCVEGCSA-N 1 1 238.331 0.886 50 0 BCAAMO C[C@@H]1C[N@@H+](CCC(=O)NC2CC2)[C@H](C)CO1 ZINC000045785820 176286948 /nfs/dbraw/zinc/28/69/48/176286948.db2.gz GCWHICICAWSAPX-NXEZZACHSA-N 1 1 226.320 0.764 50 0 BCAAMO C[C@@H]1CN(S(=O)(=O)c2ccccc2)CC[NH2+]1 ZINC000062619634 176314268 /nfs/dbraw/zinc/31/42/68/176314268.db2.gz CDXQHYPXYVJEEZ-SNVBAGLBSA-N 1 1 240.328 0.669 50 0 BCAAMO C[C@@H]1CNCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000124575504 176325277 /nfs/dbraw/zinc/32/52/77/176325277.db2.gz LIRXGISLLWERAY-DGCLKSJQSA-N 1 1 247.342 0.897 50 0 BCAAMO C[C@@H]1C[C@@H](NS(=O)(=O)N(C)C)C[N@H+]1C1CC1 ZINC000075110552 176377523 /nfs/dbraw/zinc/37/75/23/176377523.db2.gz UZPINRHMZINRBG-RKDXNWHRSA-N 1 1 247.364 0.008 50 0 BCAAMO C[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000013744220 176386707 /nfs/dbraw/zinc/38/67/07/176386707.db2.gz JFGBIZYPPZAVOR-MNOVXSKESA-N 1 1 226.320 0.481 50 0 BCAAMO C[C@H](CNS(C)(=O)=O)[N@H+]1CCCC[C@@H]1C ZINC000225206351 177079242 /nfs/dbraw/zinc/07/92/42/177079242.db2.gz XHKPBWHKDBZAIO-VHSXEESVSA-N 1 1 234.365 0.799 50 0 BCAAMO C[C@H]1CCCN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000064552455 177092092 /nfs/dbraw/zinc/09/20/92/177092092.db2.gz NGQRITSVCCBIGH-LBPRGKRZSA-N 1 1 239.363 0.492 50 0 BCAAMO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1nccc(N)n1 ZINC000097235638 177134788 /nfs/dbraw/zinc/13/47/88/177134788.db2.gz ABOLWUAYGMGPMC-VHSXEESVSA-N 1 1 236.319 0.794 50 0 BCAAMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1nccc(N)n1 ZINC000097235638 177134790 /nfs/dbraw/zinc/13/47/90/177134790.db2.gz ABOLWUAYGMGPMC-VHSXEESVSA-N 1 1 236.319 0.794 50 0 BCAAMO C[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000131856661 177223972 /nfs/dbraw/zinc/22/39/72/177223972.db2.gz ZHASAPYCVOCJDP-NTZNESFSSA-N 1 1 247.342 0.895 50 0 BCAAMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)n1cncn1 ZINC000107581171 177233023 /nfs/dbraw/zinc/23/30/23/177233023.db2.gz ZUZSZVTYBOPKQW-UWVGGRQHSA-N 1 1 237.307 0.002 50 0 BCAAMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)n1cncn1 ZINC000107581171 177233024 /nfs/dbraw/zinc/23/30/24/177233024.db2.gz ZUZSZVTYBOPKQW-UWVGGRQHSA-N 1 1 237.307 0.002 50 0 BCAAMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)n1cncn1 ZINC000089937817 177233084 /nfs/dbraw/zinc/23/30/84/177233084.db2.gz ZUZSZVTYBOPKQW-VHSXEESVSA-N 1 1 237.307 0.002 50 0 BCAAMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)n1cncn1 ZINC000089937817 177233086 /nfs/dbraw/zinc/23/30/86/177233086.db2.gz ZUZSZVTYBOPKQW-VHSXEESVSA-N 1 1 237.307 0.002 50 0 BCAAMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)NC1CC1 ZINC000045785823 177246970 /nfs/dbraw/zinc/24/69/70/177246970.db2.gz GCWHICICAWSAPX-ZJUUUORDSA-N 1 1 226.320 0.764 50 0 BCAAMO COCC[N@H+](C)CC(=O)NCC[C@@H]1CCOC1 ZINC000534638477 323157078 /nfs/dbraw/zinc/15/70/78/323157078.db2.gz OWYQZIFXEIRUPR-LLVKDONJSA-N 1 1 244.335 0.107 50 0 BCAAMO COCC[N@@H+](C)CC(=O)NCC[C@@H]1CCOC1 ZINC000534638477 323157079 /nfs/dbraw/zinc/15/70/79/323157079.db2.gz OWYQZIFXEIRUPR-LLVKDONJSA-N 1 1 244.335 0.107 50 0 BCAAMO COCC[N@H+](C)CC(=O)NCC[C@H]1CCOC1 ZINC000534638478 323157101 /nfs/dbraw/zinc/15/71/01/323157101.db2.gz OWYQZIFXEIRUPR-NSHDSACASA-N 1 1 244.335 0.107 50 0 BCAAMO COCC[N@@H+](C)CC(=O)NCC[C@H]1CCOC1 ZINC000534638478 323157102 /nfs/dbraw/zinc/15/71/02/323157102.db2.gz OWYQZIFXEIRUPR-NSHDSACASA-N 1 1 244.335 0.107 50 0 BCAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000534676196 323159204 /nfs/dbraw/zinc/15/92/04/323159204.db2.gz DXBPWSYLQHCLAH-YUMQZZPRSA-N 1 1 248.290 0.094 50 0 BCAAMO Cn1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1=O ZINC000051589290 488016671 /nfs/dbraw/zinc/01/66/71/488016671.db2.gz PXYLSBQOJLGMSX-UHFFFAOYSA-N 1 1 249.314 0.096 50 0 BCAAMO CSCC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000670462549 487516503 /nfs/dbraw/zinc/51/65/03/487516503.db2.gz XRXMZUIVISEPTQ-SNVBAGLBSA-N 1 1 246.376 0.170 50 0 BCAAMO CSCC(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670468396 487521605 /nfs/dbraw/zinc/52/16/05/487521605.db2.gz CSYKOUQNBOYXJB-SNVBAGLBSA-N 1 1 246.376 0.312 50 0 BCAAMO COCC[N@H+](C)CC(=O)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000670435760 491105272 /nfs/dbraw/zinc/10/52/72/491105272.db2.gz BEWZCNPZJWJYDD-TXEJJXNPSA-N 1 1 240.347 0.823 50 0 BCAAMO COCC[N@@H+](C)CC(=O)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000670435760 491105273 /nfs/dbraw/zinc/10/52/73/491105273.db2.gz BEWZCNPZJWJYDD-TXEJJXNPSA-N 1 1 240.347 0.823 50 0 BCAAMO CC(C)C12CN3CC(C[N@@H+](C1)CC3)[C@H]2O ZINC000022804878 519557712 /nfs/dbraw/zinc/55/77/12/519557712.db2.gz BCHOHGLRRIGGAL-MOENNCHZSA-N 1 1 210.321 0.251 50 0 BCAAMO CCOC(=O)CCN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000253417082 520681979 /nfs/dbraw/zinc/68/19/79/520681979.db2.gz NCYFPHGNLHMDFM-NWDGAFQWSA-N 1 1 240.347 0.966 50 0 BCAAMO CCOC(=O)CC[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000253417082 520681986 /nfs/dbraw/zinc/68/19/86/520681986.db2.gz NCYFPHGNLHMDFM-NWDGAFQWSA-N 1 1 240.347 0.966 50 0 BCAAMO CCOC(=O)CC[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000253417082 520681992 /nfs/dbraw/zinc/68/19/92/520681992.db2.gz NCYFPHGNLHMDFM-NWDGAFQWSA-N 1 1 240.347 0.966 50 0 BCAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000243036406 521655862 /nfs/dbraw/zinc/65/58/62/521655862.db2.gz IDBXCMRYDBJSAP-WDEREUQCSA-N 1 1 226.320 0.766 50 0 BCAAMO CCc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)n[nH]1 ZINC000154081823 523761452 /nfs/dbraw/zinc/76/14/52/523761452.db2.gz JZNXADPUOIECHL-IUCAKERBSA-N 1 1 236.319 0.795 50 0 BCAAMO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000252511745 523817759 /nfs/dbraw/zinc/81/77/59/523817759.db2.gz KHQVSVQVZHLALE-MXWKQRLJSA-N 1 1 228.336 0.733 50 0 BCAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(C)(=O)=O ZINC000252586411 524615714 /nfs/dbraw/zinc/61/57/14/524615714.db2.gz PSQOSZKTFCVPFO-UWVGGRQHSA-N 1 1 234.365 0.656 50 0 BCAAMO O=C(CC[NH+]1CC(O)C1)NCc1cccs1 ZINC000244882656 526482010 /nfs/dbraw/zinc/48/20/10/526482010.db2.gz XVYOALGBEKFJKF-UHFFFAOYSA-N 1 1 240.328 0.431 50 0 BCAAMO CNS(=O)(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC000095432634 538028590 /nfs/dbraw/zinc/02/85/90/538028590.db2.gz VQTOQCFGJHVULL-QMMMGPOBSA-N 1 1 206.311 0.018 50 0 BCAAMO Cc1nccnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333713573 566385476 /nfs/dbraw/zinc/38/54/76/566385476.db2.gz QHYWJFCKHHAUBH-TXEJJXNPSA-N 1 1 248.330 1.060 50 0 BCAAMO C=CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000888098934 583181130 /nfs/dbraw/zinc/18/11/30/583181130.db2.gz XZBRIVDBTQFCEK-WDEREUQCSA-N 1 1 224.304 0.542 50 0 BCAAMO C=CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000888098934 583181131 /nfs/dbraw/zinc/18/11/31/583181131.db2.gz XZBRIVDBTQFCEK-WDEREUQCSA-N 1 1 224.304 0.542 50 0 BCAAMO OC[C@H]1CCCC[N@H+]1[C@@H]1CN2CCC1CC2 ZINC000022456078 642469839 /nfs/dbraw/zinc/46/98/39/642469839.db2.gz UAIHTPVHZHXYER-CHWSQXEVSA-N 1 1 224.348 0.927 50 0 BCAAMO COC(=O)[C@](C)([NH3+])Cn1cnc2ccccc21 ZINC000045434512 643555130 /nfs/dbraw/zinc/55/51/30/643555130.db2.gz ZRSYRDLQDZDTQM-GFCCVEGCSA-N 1 1 233.271 0.927 50 0 BCAAMO N[C@H](c1ccns1)C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000958528154 644806347 /nfs/dbraw/zinc/80/63/47/644806347.db2.gz MSOXSLQWBUMRKU-BLFSSDSTSA-N 1 1 239.344 0.788 50 0 BCAAMO CC(C)C[N@H+]1CCCN(C(CO)CO)CC1 ZINC000065399197 712390983 /nfs/dbraw/zinc/39/09/83/712390983.db2.gz BKLLHHKUAVOQJG-UHFFFAOYSA-N 1 1 230.352 0.003 50 0 BCAAMO Cc1cc(C)n(-c2cc(NCCO)[nH+]c(C)n2)n1 ZINC000003160122 177919925 /nfs/dbraw/zinc/91/99/25/177919925.db2.gz YILFWIUUPIDBFH-UHFFFAOYSA-N 1 1 247.302 0.992 50 0 BCAAMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC(=O)N2)C1 ZINC000240900796 398159897 /nfs/dbraw/zinc/15/98/97/398159897.db2.gz IUAPRUXTBZCAPL-NWDGAFQWSA-N 1 1 239.363 0.539 50 0 BCAAMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+]1CCC[C@@H]1C(=O)[O-] ZINC000101100410 343985898 /nfs/dbraw/zinc/98/58/98/343985898.db2.gz IXIJYVBQCBGALI-GMTAPVOTSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+]1CCC[C@@H]1C(=O)[O-] ZINC000101100410 343985903 /nfs/dbraw/zinc/98/59/03/343985903.db2.gz IXIJYVBQCBGALI-GMTAPVOTSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000101100410 343985904 /nfs/dbraw/zinc/98/59/04/343985904.db2.gz IXIJYVBQCBGALI-GMTAPVOTSA-N 1 1 226.320 0.876 50 0 BCAAMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000101100410 343985908 /nfs/dbraw/zinc/98/59/08/343985908.db2.gz IXIJYVBQCBGALI-GMTAPVOTSA-N 1 1 226.320 0.876 50 0 BCAAMO Cn1cc(C[NH2+]CC(=O)NCc2ccco2)cn1 ZINC000097133565 398242773 /nfs/dbraw/zinc/24/27/73/398242773.db2.gz KUBSJNGSCLVPNY-UHFFFAOYSA-N 1 1 248.286 0.419 50 0 BCAAMO COC[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1C(N)=O ZINC000253412248 398280366 /nfs/dbraw/zinc/28/03/66/398280366.db2.gz QIOYVUBYDWSUKZ-GXSJLCMTSA-N 1 1 238.287 0.459 50 0 BCAAMO NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000050976782 346861869 /nfs/dbraw/zinc/86/18/69/346861869.db2.gz QSNYXOQXBIWSJQ-GFCCVEGCSA-N 1 1 220.272 0.109 50 0 BCAAMO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[NH+]1CCCC1 ZINC000101114683 539013836 /nfs/dbraw/zinc/01/38/36/539013836.db2.gz 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