smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C\C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1O ZINC000588538401 747417622 /nfs/dbraw/zinc/41/76/22/747417622.db2.gz AGWYLICLSBIHHK-RYWCDNDXSA-N 1 1 320.389 0.939 10 0 DCAEMO CCc1ccnc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000181477865 199304288 /nfs/dbraw/zinc/30/42/88/199304288.db2.gz MUSHDHMBLGIVJI-INIZCTEOSA-N 1 1 307.394 0.457 10 0 DCAEMO Cn1nccc1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C(F)(F)F ZINC000299746355 529816487 /nfs/dbraw/zinc/81/64/87/529816487.db2.gz WUSVCOVSEVFHBB-GHMZBOCLSA-N 1 1 304.316 0.819 10 0 DCAEMO C[C@H](NC(=O)N[C@H]1CCc2ncnn2C1)C1=CC[N@@H+](C)CC1 ZINC000272765682 210170402 /nfs/dbraw/zinc/17/04/02/210170402.db2.gz PLLOUDNUHNLMJL-AAEUAGOBSA-N 1 1 304.398 0.543 10 0 DCAEMO C[C@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1=CC[N@@H+](C)CC1 ZINC000272765686 210170459 /nfs/dbraw/zinc/17/04/59/210170459.db2.gz PLLOUDNUHNLMJL-WCQYABFASA-N 1 1 304.398 0.543 10 0 DCAEMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181783318 199351924 /nfs/dbraw/zinc/35/19/24/199351924.db2.gz RVKHNYIDAIQMSH-NWDGAFQWSA-N 1 1 304.394 0.858 10 0 DCAEMO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279817749 215171751 /nfs/dbraw/zinc/17/17/51/215171751.db2.gz XXZJODSQPXURIG-AWEZNQCLSA-N 1 1 323.418 0.577 10 0 DCAEMO CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000173399936 198210703 /nfs/dbraw/zinc/21/07/03/198210703.db2.gz KQJAWTZGCCQGNQ-HNNXBMFYSA-N 1 1 319.409 0.627 10 0 DCAEMO CC(=O)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000173399936 198210705 /nfs/dbraw/zinc/21/07/05/198210705.db2.gz KQJAWTZGCCQGNQ-HNNXBMFYSA-N 1 1 319.409 0.627 10 0 DCAEMO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(=O)[nH]1 ZINC000173855081 198260975 /nfs/dbraw/zinc/26/09/75/198260975.db2.gz HFNJCJDULOHXFR-BXUZGUMPSA-N 1 1 305.378 0.476 10 0 DCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000182098652 199386462 /nfs/dbraw/zinc/38/64/62/199386462.db2.gz IYJHDTGCJWHHAN-UWVGGRQHSA-N 1 1 309.332 0.900 10 0 DCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCCn1ccnc1 ZINC000181078346 199250294 /nfs/dbraw/zinc/25/02/94/199250294.db2.gz ASUJYXGQTDEBGJ-ZDUSSCGKSA-N 1 1 321.425 0.331 10 0 DCAEMO C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1CCO ZINC000187648702 200140118 /nfs/dbraw/zinc/14/01/18/200140118.db2.gz MSJWZSPFGUSBNZ-LLVKDONJSA-N 1 1 313.348 0.902 10 0 DCAEMO C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CC[N@H+]1CCO ZINC000187648702 200140120 /nfs/dbraw/zinc/14/01/20/200140120.db2.gz MSJWZSPFGUSBNZ-LLVKDONJSA-N 1 1 313.348 0.902 10 0 DCAEMO C[C@H]1C[C@H](NC(=O)NCc2cc(C(N)=O)co2)C[N@H+]1C1CC1 ZINC000187489475 237348659 /nfs/dbraw/zinc/34/86/59/237348659.db2.gz HPAITEYHWKLMHZ-ONGXEEELSA-N 1 1 306.366 0.803 10 0 DCAEMO C[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@H+]1CC(C)(C)O ZINC000188640799 200280098 /nfs/dbraw/zinc/28/00/98/200280098.db2.gz NPSGQRAXWNNHNB-NSHDSACASA-N 1 1 322.409 0.041 10 0 DCAEMO CCCn1nccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153689147 291208243 /nfs/dbraw/zinc/20/82/43/291208243.db2.gz MVUPBLVZMHLKBV-LBPRGKRZSA-N 1 1 307.398 0.690 10 0 DCAEMO COc1cc(OC)cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000188690452 200289453 /nfs/dbraw/zinc/28/94/53/200289453.db2.gz SWYRAVOKOXAAFU-LBPRGKRZSA-N 1 1 308.378 0.842 10 0 DCAEMO COc1cc(OC)cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000188690452 200289455 /nfs/dbraw/zinc/28/94/55/200289455.db2.gz SWYRAVOKOXAAFU-LBPRGKRZSA-N 1 1 308.378 0.842 10 0 DCAEMO C[N@@H+](CC(=O)NC(C)(C)C)C[C@H](O)COC1CCOCC1 ZINC000154202710 291211814 /nfs/dbraw/zinc/21/18/14/291211814.db2.gz VHLKZNKKYAIUPW-LBPRGKRZSA-N 1 1 302.415 0.389 10 0 DCAEMO C[N@H+](CC(=O)NC(C)(C)C)C[C@H](O)COC1CCOCC1 ZINC000154202710 291211815 /nfs/dbraw/zinc/21/18/15/291211815.db2.gz VHLKZNKKYAIUPW-LBPRGKRZSA-N 1 1 302.415 0.389 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCOCCOC ZINC000155356745 291219157 /nfs/dbraw/zinc/21/91/57/291219157.db2.gz MAXYMFGBICFINI-CYBMUJFWSA-N 1 1 308.444 0.395 10 0 DCAEMO COCCN1C[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000159077666 291233533 /nfs/dbraw/zinc/23/35/33/291233533.db2.gz LZUNBIPKXPUMEJ-MJBXVCDLSA-N 1 1 311.426 0.326 10 0 DCAEMO COCC[N@@H+](C)CCNC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000162721127 291244506 /nfs/dbraw/zinc/24/45/06/291244506.db2.gz WPEOCSAPEIGZIS-ZDUSSCGKSA-N 1 1 310.394 0.641 10 0 DCAEMO CNC(=O)c1ccc([C@H]2CCCC[N@H+]2CC2(CO)COC2)n1C ZINC000328643594 291259970 /nfs/dbraw/zinc/25/99/70/291259970.db2.gz RMIJTCZOGHMJMY-CQSZACIVSA-N 1 1 321.421 0.921 10 0 DCAEMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC000566009077 291263840 /nfs/dbraw/zinc/26/38/40/291263840.db2.gz ACOUUSNVXSIBFD-AWEZNQCLSA-N 1 1 304.329 0.436 10 0 DCAEMO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000566172794 291277114 /nfs/dbraw/zinc/27/71/14/291277114.db2.gz GJEWKKBLPDHNLU-CYBMUJFWSA-N 1 1 306.362 0.436 10 0 DCAEMO COC(=O)[C@@H]1CCC[N@H+](CCN2CCC[C@H](C(=O)OC)C2)C1 ZINC000114718255 284008844 /nfs/dbraw/zinc/00/88/44/284008844.db2.gz KXGVNRRTXLKUFP-OKILXGFUSA-N 1 1 312.410 0.756 10 0 DCAEMO COC(=O)[C@@H]1CCCN(CC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000114718255 284008846 /nfs/dbraw/zinc/00/88/46/284008846.db2.gz KXGVNRRTXLKUFP-OKILXGFUSA-N 1 1 312.410 0.756 10 0 DCAEMO COC(=O)[C@@H]1CCCN(CC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000114718255 284008847 /nfs/dbraw/zinc/00/88/47/284008847.db2.gz KXGVNRRTXLKUFP-OKILXGFUSA-N 1 1 312.410 0.756 10 0 DCAEMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)N(C)CC(=O)NC1CC1 ZINC000181783335 296158640 /nfs/dbraw/zinc/15/86/40/296158640.db2.gz RVKHNYIDAIQMSH-VXGBXAGGSA-N 1 1 304.394 0.858 10 0 DCAEMO C[C@@H](C(=O)Nc1ccc(C(N)=S)cc1)N1CC[NH+](C)CC1 ZINC000020000665 182176243 /nfs/dbraw/zinc/17/62/43/182176243.db2.gz PXSVVOHPLGJTIQ-NSHDSACASA-N 1 1 306.435 0.895 10 0 DCAEMO C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H](C)N1CCOCC1 ZINC000105298318 194093829 /nfs/dbraw/zinc/09/38/29/194093829.db2.gz RMDDWIUGKCLXMO-KGLIPLIRSA-N 1 1 310.442 0.585 10 0 DCAEMO CC[C@H]1CN(CC(=O)NCc2ccco2)CC[N@H+]1CCOC ZINC000105836001 194141347 /nfs/dbraw/zinc/14/13/47/194141347.db2.gz IESNOIITKMJXCX-AWEZNQCLSA-N 1 1 309.410 0.938 10 0 DCAEMO CN(CCNS(=O)(=O)c1ccc(CC[NH3+])s1)C1CC1 ZINC000062010807 184201074 /nfs/dbraw/zinc/20/10/74/184201074.db2.gz OEHARTJRKQNKAY-UHFFFAOYSA-N 1 1 303.453 0.622 10 0 DCAEMO O=C1NC[C@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459655 296384182 /nfs/dbraw/zinc/38/41/82/296384182.db2.gz YMUKOTIDTAYKPO-QWRGUYRKSA-N 1 1 301.337 0.455 10 0 DCAEMO O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CCN2C1=O ZINC000408459655 296384184 /nfs/dbraw/zinc/38/41/84/296384184.db2.gz YMUKOTIDTAYKPO-QWRGUYRKSA-N 1 1 301.337 0.455 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000247412466 285265050 /nfs/dbraw/zinc/26/50/50/285265050.db2.gz QEHVXIJVQDUJMT-UPJWGTAASA-N 1 1 319.471 0.934 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC000247412466 285265052 /nfs/dbraw/zinc/26/50/52/285265052.db2.gz QEHVXIJVQDUJMT-UPJWGTAASA-N 1 1 319.471 0.934 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC000247412450 285265067 /nfs/dbraw/zinc/26/50/67/285265067.db2.gz QEHVXIJVQDUJMT-AGIUHOORSA-N 1 1 319.471 0.934 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC000247412450 285265069 /nfs/dbraw/zinc/26/50/69/285265069.db2.gz QEHVXIJVQDUJMT-AGIUHOORSA-N 1 1 319.471 0.934 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC000329893636 285273221 /nfs/dbraw/zinc/27/32/21/285273221.db2.gz JPEKKUMGKUYLIP-SOUVJXGZSA-N 1 1 311.426 0.565 10 0 DCAEMO Cn1ccnc1C[N@@H+]1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000248118767 257107918 /nfs/dbraw/zinc/10/79/18/257107918.db2.gz JIJVMRPKYAOFSA-HUUCEWRRSA-N 1 1 311.389 0.906 10 0 DCAEMO Cn1ccnc1C[N@H+]1C[C@@H]2CN(Cc3cccnc3)C(=O)[C@@H]2C1 ZINC000248118767 257107919 /nfs/dbraw/zinc/10/79/19/257107919.db2.gz JIJVMRPKYAOFSA-HUUCEWRRSA-N 1 1 311.389 0.906 10 0 DCAEMO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccnnc3)CC[C@@H]2[N@H+]1C ZINC000248006094 257111802 /nfs/dbraw/zinc/11/18/02/257111802.db2.gz OKZKGLPPWLMYGF-ILXRZTDVSA-N 1 1 303.410 0.573 10 0 DCAEMO CN1[C@H](C[NH+](C)C)C[C@@H]2CN(C(=O)c3ccnnc3)CC[C@@H]21 ZINC000248006094 257111803 /nfs/dbraw/zinc/11/18/03/257111803.db2.gz OKZKGLPPWLMYGF-ILXRZTDVSA-N 1 1 303.410 0.573 10 0 DCAEMO COc1cccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)n1 ZINC000247913828 257114189 /nfs/dbraw/zinc/11/41/89/257114189.db2.gz FJCOUBURTVMPCI-HUUCEWRRSA-N 1 1 305.378 0.912 10 0 DCAEMO COc1cccc(C[N@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3C2)n1 ZINC000247913828 257114190 /nfs/dbraw/zinc/11/41/90/257114190.db2.gz FJCOUBURTVMPCI-HUUCEWRRSA-N 1 1 305.378 0.912 10 0 DCAEMO COCC(=O)NC[C@@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000247858054 257116158 /nfs/dbraw/zinc/11/61/58/257116158.db2.gz UYCDJSIMYOCNLW-CQSZACIVSA-N 1 1 308.382 0.181 10 0 DCAEMO COCC(=O)NC[C@@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000247858054 257116159 /nfs/dbraw/zinc/11/61/59/257116159.db2.gz UYCDJSIMYOCNLW-CQSZACIVSA-N 1 1 308.382 0.181 10 0 DCAEMO COCCNC(=O)[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccncc2)O1 ZINC000247847069 257116691 /nfs/dbraw/zinc/11/66/91/257116691.db2.gz NIKQFGHIJSOZTD-JYJNAYRXSA-N 1 1 319.405 0.966 10 0 DCAEMO CS(=O)(=O)N1CCO[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2C1 ZINC000247537380 257119712 /nfs/dbraw/zinc/11/97/12/257119712.db2.gz QYYWJVAPMHYYAB-STQMWFEESA-N 1 1 316.448 0.840 10 0 DCAEMO CS(=O)(=O)N1CCO[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2C1 ZINC000247537380 257119713 /nfs/dbraw/zinc/11/97/13/257119713.db2.gz QYYWJVAPMHYYAB-STQMWFEESA-N 1 1 316.448 0.840 10 0 DCAEMO O=S(=O)(C1CC1)N1CCO[C@H]2C[N@@H+](CC3CC3)C[C@H]2C1 ZINC000247344059 257120295 /nfs/dbraw/zinc/12/02/95/257120295.db2.gz TZOVGVYBLZEWKO-JSGCOSHPSA-N 1 1 300.424 0.521 10 0 DCAEMO COC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000262520460 533349088 /nfs/dbraw/zinc/34/90/88/533349088.db2.gz KRKJTZNRCBXLLU-SECBINFHSA-N 1 1 308.306 0.595 10 0 DCAEMO C[N@H+]1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000013118910 395688405 /nfs/dbraw/zinc/68/84/05/395688405.db2.gz STECJAGHUSJQJN-USLFZFAMSA-N 1 1 303.358 0.918 10 0 biogenic,in-vitro DCAEMO C[N@@H+]1[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000013118910 395688406 /nfs/dbraw/zinc/68/84/06/395688406.db2.gz STECJAGHUSJQJN-USLFZFAMSA-N 1 1 303.358 0.918 10 0 biogenic,in-vitro DCAEMO C[N@H+](CC(=O)NC(N)=O)Cc1ccccc1N1CCOCC1 ZINC000016424777 395690493 /nfs/dbraw/zinc/69/04/93/395690493.db2.gz CFALMVCCGOKHOI-UHFFFAOYSA-N 1 1 306.366 0.150 10 0 DCAEMO C[N@@H+](CC(=O)NC(N)=O)Cc1ccccc1N1CCOCC1 ZINC000016424777 395690494 /nfs/dbraw/zinc/69/04/94/395690494.db2.gz CFALMVCCGOKHOI-UHFFFAOYSA-N 1 1 306.366 0.150 10 0 DCAEMO COC(=O)CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCCO1 ZINC000096593157 395754715 /nfs/dbraw/zinc/75/47/15/395754715.db2.gz KSBSLASUCPICCQ-LBPRGKRZSA-N 1 1 300.399 0.945 10 0 DCAEMO COC(=O)CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1CCCO1 ZINC000096593157 395754717 /nfs/dbraw/zinc/75/47/17/395754717.db2.gz KSBSLASUCPICCQ-LBPRGKRZSA-N 1 1 300.399 0.945 10 0 DCAEMO O=C(NCCCN1CCCC1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000097393912 395757688 /nfs/dbraw/zinc/75/76/88/395757688.db2.gz VNMSZPDEHFXQCH-ZDUSSCGKSA-N 1 1 308.426 0.782 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1C(=O)NCC[C@H]1C ZINC000194022086 395786245 /nfs/dbraw/zinc/78/62/45/395786245.db2.gz PBOWQGYSAKBINN-XBFCOCLRSA-N 1 1 319.409 0.890 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283415 395772873 /nfs/dbraw/zinc/77/28/73/395772873.db2.gz FOHKFAIIQUIRNO-OLZOCXBDSA-N 1 1 322.453 0.315 10 0 DCAEMO COc1ccccc1CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193606015 395773618 /nfs/dbraw/zinc/77/36/18/395773618.db2.gz SESAOJVMGRBTGU-GASCZTMLSA-N 1 1 303.406 0.805 10 0 DCAEMO CC(C)[C@H](CNC(=O)Nc1ccc(=O)n(C)c1)[NH+]1CCOCC1 ZINC000194762319 395807363 /nfs/dbraw/zinc/80/73/63/395807363.db2.gz AZVVLEVIXMBLIB-AWEZNQCLSA-N 1 1 322.409 0.864 10 0 DCAEMO O=C([C@H]1CNC(=O)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000194862403 395810222 /nfs/dbraw/zinc/81/02/22/395810222.db2.gz ROIFIKOUFJRLPD-OAHLLOKOSA-N 1 1 301.390 0.857 10 0 DCAEMO O=C(c1ccc(-n2cnnn2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195086826 395815981 /nfs/dbraw/zinc/81/59/81/395815981.db2.gz DVTMLCOREZLQQX-OAHLLOKOSA-N 1 1 312.377 0.973 10 0 DCAEMO O=C(CSc1nnnn1C1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195327526 395824533 /nfs/dbraw/zinc/82/45/33/395824533.db2.gz CTFHDGDGHHUQSE-LLVKDONJSA-N 1 1 308.411 0.407 10 0 DCAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)NCC3(C)COC3)CC2)cn1 ZINC000115828490 395841696 /nfs/dbraw/zinc/84/16/96/395841696.db2.gz ABLWQFFGQOPMJL-UHFFFAOYSA-N 1 1 321.425 0.674 10 0 DCAEMO Cn1cc(C[N@H+]2CCCN(C(=O)NCC3(C)COC3)CC2)cn1 ZINC000115828490 395841697 /nfs/dbraw/zinc/84/16/97/395841697.db2.gz ABLWQFFGQOPMJL-UHFFFAOYSA-N 1 1 321.425 0.674 10 0 DCAEMO Cn1cc([C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)cn1 ZINC000116313931 395843352 /nfs/dbraw/zinc/84/33/52/395843352.db2.gz 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/nfs/dbraw/zinc/90/64/50/662906450.db2.gz HMDUBTFLOYDSBV-JSGCOSHPSA-N 1 1 304.456 0.510 10 0 DCAEMO C#CCNC(=O)C[NH+](CC(=O)NCC#C)[C@@H]1CCC[C@@H](C)C1 ZINC000031471152 663583610 /nfs/dbraw/zinc/58/36/10/663583610.db2.gz MDZAXGRKXNNNCP-HUUCEWRRSA-N 1 1 303.406 0.366 10 0 DCAEMO C=CC(=O)N(CC)CC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000911418883 664046754 /nfs/dbraw/zinc/04/67/54/664046754.db2.gz WOAVYUPXONZAFY-MJBXVCDLSA-N 1 1 309.410 0.125 10 0 DCAEMO CCOCC[N@H+]1CCN(CN2CCOC2=S)C[C@H]1CC ZINC000152615371 664766536 /nfs/dbraw/zinc/76/65/36/664766536.db2.gz FBMANWHYZJRANH-CYBMUJFWSA-N 1 1 301.456 0.994 10 0 DCAEMO CC[C@@H]1CN(C(=O)NCCc2ccnn2C)CC[N@H+]1CCOC ZINC000184996465 666316182 /nfs/dbraw/zinc/31/61/82/666316182.db2.gz YDDSTKGNIBDJDF-CQSZACIVSA-N 1 1 323.441 0.715 10 0 DCAEMO COCC[N@@H+]1[C@H](C)CN(c2cncc(OCCO)n2)C[C@@H]1C ZINC000133619059 667467957 /nfs/dbraw/zinc/46/79/57/667467957.db2.gz OIMFQFZJDDKMIH-BETUJISGSA-N 1 1 310.398 0.393 10 0 DCAEMO C[C@@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CC[N@H+]1CCO ZINC000187716513 669949622 /nfs/dbraw/zinc/94/96/22/669949622.db2.gz FLOPQRMWGLQZCF-ABAIWWIYSA-N 1 1 300.349 0.997 10 0 DCAEMO C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)CC[N@@H+]1CCO ZINC000188757384 670044096 /nfs/dbraw/zinc/04/40/96/670044096.db2.gz ALUGEFPYAFEPGE-GFCCVEGCSA-N 1 1 316.357 0.932 10 0 DCAEMO C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)CC[N@H+]1CCO ZINC000188757384 670044102 /nfs/dbraw/zinc/04/41/02/670044102.db2.gz ALUGEFPYAFEPGE-GFCCVEGCSA-N 1 1 316.357 0.932 10 0 DCAEMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1nnnn1C1CC1 ZINC000188947526 670068180 /nfs/dbraw/zinc/06/81/80/670068180.db2.gz PAJGHWUVRXBJSR-ZYHUDNBSSA-N 1 1 305.386 0.559 10 0 DCAEMO Cn1cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c(Br)n1 ZINC000713837895 670170159 /nfs/dbraw/zinc/17/01/59/670170159.db2.gz AWEQFTAKOGKTPG-QMMMGPOBSA-N 1 1 301.188 0.880 10 0 DCAEMO Cn1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000712400188 670149158 /nfs/dbraw/zinc/14/91/58/670149158.db2.gz 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/nfs/dbraw/zinc/64/92/16/284649216.db2.gz AFSTWGGBNGZLAS-XIKOKIGWSA-N 1 1 310.485 0.501 10 0 DCAEMO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000104866881 194048717 /nfs/dbraw/zinc/04/87/17/194048717.db2.gz YAOCDTIGLAQTHL-LBPRGKRZSA-N 1 1 317.393 0.392 10 0 DCAEMO CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)N1CCOCC1 ZINC000105103801 194074486 /nfs/dbraw/zinc/07/44/86/194074486.db2.gz DSWHFLXYHYSOED-MRXNPFEDSA-N 1 1 324.469 0.833 10 0 DCAEMO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000105863570 194149875 /nfs/dbraw/zinc/14/98/75/194149875.db2.gz AJISFBCDZRHQLN-JTQLQIEISA-N 1 1 313.423 0.899 10 0 DCAEMO CCNC(=O)CC[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865325 194150037 /nfs/dbraw/zinc/15/00/37/194150037.db2.gz OMQPXKCAADCSND-GFCCVEGCSA-N 1 1 309.414 0.837 10 0 DCAEMO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)NCc2ccco2)CC1 ZINC000105862128 194149016 /nfs/dbraw/zinc/14/90/16/194149016.db2.gz FDUQQMROMJWEIS-CQSZACIVSA-N 1 1 323.437 0.920 10 0 DCAEMO 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/nfs/dbraw/zinc/38/12/45/396381245.db2.gz ODEANOLCQWXURA-LBPRGKRZSA-N 1 1 309.410 0.176 10 0 DCAEMO COC(=O)[C@H](C(OC)OC)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000193067248 396443107 /nfs/dbraw/zinc/44/31/07/396443107.db2.gz MGYVJGKPWFMSOM-RWMBFGLXSA-N 1 1 300.399 0.563 10 0 DCAEMO COc1cccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1OC ZINC000188809931 396387425 /nfs/dbraw/zinc/38/74/25/396387425.db2.gz ZTSWOIAWVPNIMH-LBPRGKRZSA-N 1 1 308.378 0.842 10 0 DCAEMO COc1cccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1OC ZINC000188809931 396387428 /nfs/dbraw/zinc/38/74/28/396387428.db2.gz ZTSWOIAWVPNIMH-LBPRGKRZSA-N 1 1 308.378 0.842 10 0 DCAEMO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188974244 396389113 /nfs/dbraw/zinc/38/91/13/396389113.db2.gz FMSRSOFLKQRUCC-GFCCVEGCSA-N 1 1 305.426 0.906 10 0 DCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188974244 396389114 /nfs/dbraw/zinc/38/91/14/396389114.db2.gz FMSRSOFLKQRUCC-GFCCVEGCSA-N 1 1 305.426 0.906 10 0 DCAEMO CCOC(=O)CCCC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190810852 396411579 /nfs/dbraw/zinc/41/15/79/396411579.db2.gz PRHCJQAMSOWQRX-UHFFFAOYSA-N 1 1 300.399 0.901 10 0 DCAEMO COC(=O)c1coc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000191094149 396415316 /nfs/dbraw/zinc/41/53/16/396415316.db2.gz ILHUGCWGKICDJE-UHFFFAOYSA-N 1 1 314.363 0.535 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(CC[N@@H+]3CCO[C@H](C)C3)CCO2)n1 ZINC000191486896 396420290 /nfs/dbraw/zinc/42/02/90/396420290.db2.gz RTLIAZLJSHWNRJ-IAGOWNOFSA-N 1 1 322.453 0.921 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(CC[N@H+]3CCO[C@H](C)C3)CCO2)n1 ZINC000191486896 396420292 /nfs/dbraw/zinc/42/02/92/396420292.db2.gz RTLIAZLJSHWNRJ-IAGOWNOFSA-N 1 1 322.453 0.921 10 0 DCAEMO CCc1nnc(C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)[nH]1 ZINC000191517324 396420369 /nfs/dbraw/zinc/42/03/69/396420369.db2.gz QPBSQASDHWCPKZ-LBPRGKRZSA-N 1 1 307.398 0.404 10 0 DCAEMO CCc1nnc(C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)[nH]1 ZINC000191517324 396420371 /nfs/dbraw/zinc/42/03/71/396420371.db2.gz 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/nfs/dbraw/zinc/35/60/91/396356091.db2.gz SVCNTZXQTONEKU-LLVKDONJSA-N 1 1 319.409 0.748 10 0 DCAEMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191035228 396414652 /nfs/dbraw/zinc/41/46/52/396414652.db2.gz WKJLPOLMHRVKMV-KGLIPLIRSA-N 1 1 304.456 0.941 10 0 DCAEMO CN1CCCN(CCCCC[N@@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191135668 396415841 /nfs/dbraw/zinc/41/58/41/396415841.db2.gz PKUYZFBYWPZIKL-UHFFFAOYSA-N 1 1 324.469 0.485 10 0 DCAEMO CN1CCCN(CCCCC[N@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191135668 396415842 /nfs/dbraw/zinc/41/58/42/396415842.db2.gz PKUYZFBYWPZIKL-UHFFFAOYSA-N 1 1 324.469 0.485 10 0 DCAEMO COc1ccccc1COC[C@H](O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191100960 396416192 /nfs/dbraw/zinc/41/61/92/396416192.db2.gz YAHFOWJPGZGISQ-OAHLLOKOSA-N 1 1 322.405 0.737 10 0 DCAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3ncccn3)CC2)C1 ZINC000192002316 396427867 /nfs/dbraw/zinc/42/78/67/396427867.db2.gz OBXSNOPYFWNIAY-MRXNPFEDSA-N 1 1 319.453 0.703 10 0 DCAEMO 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/nfs/dbraw/zinc/47/65/56/397476556.db2.gz LRSCJQSLOYGGEB-YDHLFZDLSA-N 1 1 301.383 0.570 10 0 DCAEMO CCNC(=O)NC(=O)C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000370373215 397476741 /nfs/dbraw/zinc/47/67/41/397476741.db2.gz BWRNAILWUPUADL-UHFFFAOYSA-N 1 1 305.382 0.810 10 0 DCAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)NC(N)=O)cn1 ZINC000056114674 158024095 /nfs/dbraw/zinc/02/40/95/158024095.db2.gz DRKMCOFTDHQYQP-SECBINFHSA-N 1 1 302.338 0.249 10 0 DCAEMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000072844880 158053394 /nfs/dbraw/zinc/05/33/94/158053394.db2.gz ZQMFBVQGVXXIPY-AWEZNQCLSA-N 1 1 320.393 0.577 10 0 DCAEMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000072844880 158053397 /nfs/dbraw/zinc/05/33/97/158053397.db2.gz ZQMFBVQGVXXIPY-AWEZNQCLSA-N 1 1 320.393 0.577 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CS[C@@H](C)[C@@H](C)O)C1 ZINC000079070701 158077278 /nfs/dbraw/zinc/07/72/78/158077278.db2.gz VHPZLTOSIHPEKJ-HZSPNIEDSA-N 1 1 318.483 0.962 10 0 DCAEMO 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YTQDTNBCYGLELK-JSGCOSHPSA-N 1 1 320.441 0.803 10 0 DCAEMO c1c(C[NH2+]CCOC[C@H]2CCCO2)nnn1C[C@@H]1CCOC1 ZINC000631074308 397164625 /nfs/dbraw/zinc/16/46/25/397164625.db2.gz YGFNBILPGPSVPF-DZGCQCFKSA-N 1 1 310.398 0.600 10 0 DCAEMO Cc1cnn(CC[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000592418900 397171079 /nfs/dbraw/zinc/17/10/79/397171079.db2.gz FAKYOBWOFKMLJK-CQSZACIVSA-N 1 1 305.426 0.476 10 0 DCAEMO C[C@H](CNC(=O)N1CCOCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000378434127 397240696 /nfs/dbraw/zinc/24/06/96/397240696.db2.gz UGUOPKCTLDBYRN-HUUCEWRRSA-N 1 1 312.458 0.690 10 0 DCAEMO CNS(=O)(=O)CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000407950642 397333155 /nfs/dbraw/zinc/33/31/55/397333155.db2.gz CCLQSYNUYOBTHG-UHFFFAOYSA-N 1 1 303.472 0.876 10 0 DCAEMO Cc1ncc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)s1 ZINC000404110161 397327255 /nfs/dbraw/zinc/32/72/55/397327255.db2.gz DFQMCRXUZDYERF-ZJUUUORDSA-N 1 1 303.409 0.203 10 0 DCAEMO COC(=O)CCCN(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000602522378 397427613 /nfs/dbraw/zinc/42/76/13/397427613.db2.gz SGBCSQPXEZXJKA-OAHLLOKOSA-N 1 1 321.421 0.857 10 0 DCAEMO COC(=O)CCCN(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000602522378 397427620 /nfs/dbraw/zinc/42/76/20/397427620.db2.gz SGBCSQPXEZXJKA-OAHLLOKOSA-N 1 1 321.421 0.857 10 0 DCAEMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000578406954 397432140 /nfs/dbraw/zinc/43/21/40/397432140.db2.gz ZCCIPLXXKACHSD-UHFFFAOYSA-N 1 1 315.377 0.825 10 0 DCAEMO Cn1nncc1CC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000614605173 397478947 /nfs/dbraw/zinc/47/89/47/397478947.db2.gz WSHSAUQLJGRPPA-INIZCTEOSA-N 1 1 313.405 0.743 10 0 DCAEMO Cn1nncc1CC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000614605173 397478955 /nfs/dbraw/zinc/47/89/55/397478955.db2.gz WSHSAUQLJGRPPA-INIZCTEOSA-N 1 1 313.405 0.743 10 0 DCAEMO CCc1nsc(N2CCC[N@H+](C[C@](C)(O)C(C)=O)CC2)n1 ZINC000578991619 397510554 /nfs/dbraw/zinc/51/05/54/397510554.db2.gz FPECGMPNNMQPHW-AWEZNQCLSA-N 1 1 312.439 0.953 10 0 DCAEMO CCc1nsc(N2CCC[N@@H+](C[C@](C)(O)C(C)=O)CC2)n1 ZINC000578991619 397510558 /nfs/dbraw/zinc/51/05/58/397510558.db2.gz FPECGMPNNMQPHW-AWEZNQCLSA-N 1 1 312.439 0.953 10 0 DCAEMO C[N@@H+](CCN1CCCC1=O)C[C@H](O)COC[C@@H]1CCCO1 ZINC000602958485 397533208 /nfs/dbraw/zinc/53/32/08/397533208.db2.gz BOUWRXUXQIEOPA-KBPBESRZSA-N 1 1 300.399 0.097 10 0 DCAEMO CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H](C)CS(C)(=O)=O ZINC000602958867 397534639 /nfs/dbraw/zinc/53/46/39/397534639.db2.gz VCRXBDWMGNDHSM-MELADBBJSA-N 1 1 323.455 0.298 10 0 DCAEMO CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H](C)CS(C)(=O)=O ZINC000602958867 397534644 /nfs/dbraw/zinc/53/46/44/397534644.db2.gz VCRXBDWMGNDHSM-MELADBBJSA-N 1 1 323.455 0.298 10 0 DCAEMO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000328976438 286111609 /nfs/dbraw/zinc/11/16/09/286111609.db2.gz CZNAIRSOLKHTFT-RVMXOQNASA-N 1 1 324.381 0.386 10 0 DCAEMO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000328976438 286111610 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/nfs/dbraw/zinc/09/22/75/416092275.db2.gz HEAMTORNGYRGGN-VXGBXAGGSA-N 1 1 303.428 0.011 10 0 DCAEMO CCOc1cc(C)nc(N2CC[NH+](CCOCCOC)CC2)n1 ZINC000175650176 416110330 /nfs/dbraw/zinc/11/03/30/416110330.db2.gz ZQXCXBOFHVYODQ-UHFFFAOYSA-N 1 1 324.425 0.969 10 0 DCAEMO CCc1noc([C@@H](C)N2CC[NH+](CCOCCOC)CC2)n1 ZINC000175648829 416110403 /nfs/dbraw/zinc/11/04/03/416110403.db2.gz WXYWMBIHCKTAHA-CYBMUJFWSA-N 1 1 312.414 0.974 10 0 DCAEMO C[N@H+]1CCC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccs1 ZINC000175970170 416119123 /nfs/dbraw/zinc/11/91/23/416119123.db2.gz TVLIMBMFSJOFMF-GXFFZTMASA-N 1 1 310.423 0.916 10 0 DCAEMO CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000357851547 416141044 /nfs/dbraw/zinc/14/10/44/416141044.db2.gz VAKSQOHLFZFIQT-QWHCGFSZSA-N 1 1 313.446 0.818 10 0 DCAEMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n(C)n1 ZINC000177392841 416144027 /nfs/dbraw/zinc/14/40/27/416144027.db2.gz AEWYRLVNXKZLBI-LBPRGKRZSA-N 1 1 305.382 0.364 10 0 DCAEMO 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416158088 /nfs/dbraw/zinc/15/80/88/416158088.db2.gz BARMBCPOVKHVCL-CHWSQXEVSA-N 1 1 317.393 0.459 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178318111 416160422 /nfs/dbraw/zinc/16/04/22/416160422.db2.gz MLDVEQNBHBOUKC-OLZOCXBDSA-N 1 1 319.409 0.705 10 0 DCAEMO CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000182853370 416232991 /nfs/dbraw/zinc/23/29/91/416232991.db2.gz FFNXCQSIMVUGSI-PMPSAXMXSA-N 1 1 305.422 0.865 10 0 DCAEMO C[C@@H]1CC[C@H](C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)O1 ZINC000190303022 416278043 /nfs/dbraw/zinc/27/80/43/416278043.db2.gz QHVAENMLIDBLOX-HUUCEWRRSA-N 1 1 311.426 0.030 10 0 DCAEMO COc1cc(N2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)ncn1 ZINC000184084145 416252791 /nfs/dbraw/zinc/25/27/91/416252791.db2.gz GRFIGTLKHCNZNB-AWEZNQCLSA-N 1 1 321.425 0.328 10 0 DCAEMO COc1cc(N2CCN([C@@H](C)C[NH+]3CCOCC3)CC2)ncn1 ZINC000184084145 416252792 /nfs/dbraw/zinc/25/27/92/416252792.db2.gz GRFIGTLKHCNZNB-AWEZNQCLSA-N 1 1 321.425 0.328 10 0 DCAEMO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000186338175 416255881 /nfs/dbraw/zinc/25/58/81/416255881.db2.gz RRMCQKPILMMHJE-JSGCOSHPSA-N 1 1 318.439 0.686 10 0 DCAEMO COC(=O)[C@]1(C)CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000186338175 416255884 /nfs/dbraw/zinc/25/58/84/416255884.db2.gz RRMCQKPILMMHJE-JSGCOSHPSA-N 1 1 318.439 0.686 10 0 DCAEMO CC(C)[C@](C)(O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000187188557 416259916 /nfs/dbraw/zinc/25/99/16/416259916.db2.gz SPMGJJCLVDSSCL-UONOGXRCSA-N 1 1 304.456 0.893 10 0 DCAEMO C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1CCO ZINC000187295907 416260829 /nfs/dbraw/zinc/26/08/29/416260829.db2.gz IAFJGHICEXXNOV-ZDUSSCGKSA-N 1 1 319.405 0.527 10 0 DCAEMO C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC[N@H+]1CCO ZINC000187295907 416260833 /nfs/dbraw/zinc/26/08/33/416260833.db2.gz IAFJGHICEXXNOV-ZDUSSCGKSA-N 1 1 319.405 0.527 10 0 DCAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189017875 416263700 /nfs/dbraw/zinc/26/37/00/416263700.db2.gz KVOPZDWUYNHIMG-JTQLQIEISA-N 1 1 303.366 0.778 10 0 DCAEMO C[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCN1S(C)(=O)=O ZINC000191070027 416284429 /nfs/dbraw/zinc/28/44/29/416284429.db2.gz GUANBKXHEWAFFX-GXTWGEPZSA-N 1 1 304.456 0.893 10 0 DCAEMO C[C@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CCN1S(C)(=O)=O ZINC000191070027 416284432 /nfs/dbraw/zinc/28/44/32/416284432.db2.gz GUANBKXHEWAFFX-GXTWGEPZSA-N 1 1 304.456 0.893 10 0 DCAEMO C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)CN1CCOCC1 ZINC000247323349 416332772 /nfs/dbraw/zinc/33/27/72/416332772.db2.gz IKDBXZOIUCSBEE-HOTGVXAUSA-N 1 1 324.469 0.834 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000247472514 416332960 /nfs/dbraw/zinc/33/29/60/416332960.db2.gz RUBZSNBZYFUZEW-UTUOFQBUSA-N 1 1 301.412 0.052 10 0 DCAEMO COCCN1CCC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000249390034 416334303 /nfs/dbraw/zinc/33/43/03/416334303.db2.gz RUOMXFSHGFRIGZ-DOTOQJQBSA-N 1 1 304.390 0.825 10 0 DCAEMO COCCN1CCC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000249390034 416334304 /nfs/dbraw/zinc/33/43/04/416334304.db2.gz RUOMXFSHGFRIGZ-DOTOQJQBSA-N 1 1 304.390 0.825 10 0 DCAEMO CS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000195260451 416325942 /nfs/dbraw/zinc/32/59/42/416325942.db2.gz XSPJIORXQUUXTH-UHFFFAOYSA-N 1 1 324.406 0.797 10 0 DCAEMO COC(=O)CCC[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000360962413 416417124 /nfs/dbraw/zinc/41/71/24/416417124.db2.gz ZCIFQRYLVVEEEB-UHFFFAOYSA-N 1 1 307.398 0.618 10 0 DCAEMO NC(=O)NC(=O)CC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984545 416540902 /nfs/dbraw/zinc/54/09/02/416540902.db2.gz KMQRLESAEZXNIE-CYBMUJFWSA-N 1 1 307.350 0.351 10 0 DCAEMO NC(=O)NC(=O)CC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984545 416540908 /nfs/dbraw/zinc/54/09/08/416540908.db2.gz KMQRLESAEZXNIE-CYBMUJFWSA-N 1 1 307.350 0.351 10 0 DCAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC[C@H]1CCO ZINC000538186605 416565414 /nfs/dbraw/zinc/56/54/14/416565414.db2.gz UCWXELYOBINSHW-TZMCWYRMSA-N 1 1 313.467 0.980 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C[C@@H]1C ZINC000365978207 416612820 /nfs/dbraw/zinc/61/28/20/416612820.db2.gz LGVOJWHTCYPLSB-AVGNSLFASA-N 1 1 306.410 0.743 10 0 DCAEMO C[N@@H+](CCCO)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000440959118 416656469 /nfs/dbraw/zinc/65/64/69/416656469.db2.gz RGOKQIKAJHGENJ-UHFFFAOYSA-N 1 1 311.451 0.707 10 0 DCAEMO C[C@H]1C[N@H+](CCO)CCN1c1ncc(Br)cn1 ZINC000516394944 416722549 /nfs/dbraw/zinc/72/25/49/416722549.db2.gz TWCQQUJNJRILSF-VIFPVBQESA-N 1 1 301.188 0.742 10 0 DCAEMO C[C@H]1C[N@@H+](CCO)CCN1c1ncc(Br)cn1 ZINC000516394944 416722555 /nfs/dbraw/zinc/72/25/55/416722555.db2.gz TWCQQUJNJRILSF-VIFPVBQESA-N 1 1 301.188 0.742 10 0 DCAEMO Cc1c(Cl)c(C(=O)N2CC(C[NH+]3CCOCC3)C2)nn1C ZINC000615148520 416773806 /nfs/dbraw/zinc/77/38/06/416773806.db2.gz PELYPZXWNAZCIF-UHFFFAOYSA-N 1 1 312.801 0.786 10 0 DCAEMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)CCO2 ZINC000558702493 416788117 /nfs/dbraw/zinc/78/81/17/416788117.db2.gz 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/nfs/dbraw/zinc/85/98/91/395859891.db2.gz LNMZPQHNAJLGMY-NSHDSACASA-N 1 1 309.341 0.983 10 0 DCAEMO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116311266 395843182 /nfs/dbraw/zinc/84/31/82/395843182.db2.gz ABZKTMYELIGITF-ZDUSSCGKSA-N 1 1 322.409 0.669 10 0 DCAEMO CC[C@H]1CN(C(=O)c2c(C)nn(C)c2OC)CC[N@@H+]1CCOC ZINC000117305784 395852209 /nfs/dbraw/zinc/85/22/09/395852209.db2.gz BAHVHAJEHAZBRE-ZDUSSCGKSA-N 1 1 324.425 0.920 10 0 DCAEMO CC[C@H]1CN(C(=O)c2c(C)nn(C)c2OC)CC[N@H+]1CCOC ZINC000117305784 395852210 /nfs/dbraw/zinc/85/22/10/395852210.db2.gz BAHVHAJEHAZBRE-ZDUSSCGKSA-N 1 1 324.425 0.920 10 0 DCAEMO CN1CCN(c2cc(C(=O)N3CCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237236665 395907574 /nfs/dbraw/zinc/90/75/74/395907574.db2.gz NETQPSAQHHSPDS-CQSZACIVSA-N 1 1 303.410 0.397 10 0 DCAEMO O=C(CN1CC[NH+](C2CC2)CC1)NC(=O)NCc1cccs1 ZINC000125951228 395908333 /nfs/dbraw/zinc/90/83/33/395908333.db2.gz ACPVXTRHNYQTEU-UHFFFAOYSA-N 1 1 322.434 0.854 10 0 DCAEMO 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10 0 DCAEMO C[C@@H](NC(=O)N[C@@H]1CCc2ncnn2C1)C1=CC[N@@H+](C)CC1 ZINC000272765685 210169517 /nfs/dbraw/zinc/16/95/17/210169517.db2.gz PLLOUDNUHNLMJL-DGCLKSJQSA-N 1 1 304.398 0.543 10 0 DCAEMO C[C@H]1C[C@@H](N(C)C(=O)NCCNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC000181859617 199363117 /nfs/dbraw/zinc/36/31/17/199363117.db2.gz PVVHQWMTAOYBKP-RYUDHWBXSA-N 1 1 322.413 0.264 10 0 DCAEMO Cn1cc(C(=O)NCC[N@@H+]2CC=CCC2)c([C@H]2CCOC2)n1 ZINC000279779166 215139232 /nfs/dbraw/zinc/13/92/32/215139232.db2.gz CEIQZRSKRLPNES-ZDUSSCGKSA-N 1 1 304.394 0.916 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2)CC1 ZINC000177910106 186202930 /nfs/dbraw/zinc/20/29/30/186202930.db2.gz ILQYRIABOXEBJF-HNNXBMFYSA-N 1 1 319.405 0.849 10 0 DCAEMO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000172493715 198105884 /nfs/dbraw/zinc/10/58/84/198105884.db2.gz RMEJOHRXUGCJGF-CYBMUJFWSA-N 1 1 316.361 0.824 10 0 DCAEMO Cc1cc(N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)nc(C)[nH+]1 ZINC000174882875 198396738 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COCCNC(=O)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000171987066 198020710 /nfs/dbraw/zinc/02/07/10/198020710.db2.gz SJKWHFODUSYTFK-CQSZACIVSA-N 1 1 304.394 0.742 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(=O)n(CC)c2)CC1 ZINC000172318829 198078923 /nfs/dbraw/zinc/07/89/23/198078923.db2.gz KWCIFCPEFCTHSF-AWEZNQCLSA-N 1 1 322.409 0.789 10 0 DCAEMO CCOC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000072975344 191261423 /nfs/dbraw/zinc/26/14/23/191261423.db2.gz YGGSEEMCQCDGMP-KGLIPLIRSA-N 1 1 311.426 0.459 10 0 DCAEMO CC(C)c1nnc(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180077127 199115002 /nfs/dbraw/zinc/11/50/02/199115002.db2.gz VRZQBGWQPFRABZ-AWEZNQCLSA-N 1 1 323.441 0.912 10 0 DCAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000180131148 199121673 /nfs/dbraw/zinc/12/16/73/199121673.db2.gz RCHFHXQYWDIAKM-CQSZACIVSA-N 1 1 317.393 0.254 10 0 DCAEMO NC(=O)NC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000156547929 237051745 /nfs/dbraw/zinc/05/17/45/237051745.db2.gz 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/nfs/dbraw/zinc/39/78/08/291397808.db2.gz OVLBKDUFWHHDDJ-KKUMJFAQSA-N 1 1 301.383 0.034 10 0 DCAEMO Cc1cnc(CC[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)s1 ZINC000093807355 193310424 /nfs/dbraw/zinc/31/04/24/193310424.db2.gz XPYXSLHISIUGST-UHFFFAOYSA-N 1 1 308.407 0.523 10 0 DCAEMO C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019795922 182150804 /nfs/dbraw/zinc/15/08/04/182150804.db2.gz JPDOWGIIPJVNCH-QWRGUYRKSA-N 1 1 323.823 0.499 10 0 DCAEMO Cc1cc(C)n(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(=O)n1 ZINC000274163221 211393034 /nfs/dbraw/zinc/39/30/34/211393034.db2.gz FSHWNIBPIBFCNZ-KBPBESRZSA-N 1 1 304.394 0.555 10 0 DCAEMO COCC[N@@H+]1CCN(CC(=O)NCc2ccccc2)C[C@@H]1C ZINC000105832168 194139583 /nfs/dbraw/zinc/13/95/83/194139583.db2.gz XXPZCRFUKJCSOX-HNNXBMFYSA-N 1 1 305.422 0.955 10 0 DCAEMO COCC[N@H+]1CCN(CC(=O)NCc2ccccc2)C[C@@H]1C ZINC000105832168 194139586 /nfs/dbraw/zinc/13/95/86/194139586.db2.gz XXPZCRFUKJCSOX-HNNXBMFYSA-N 1 1 305.422 0.955 10 0 DCAEMO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)NCc2ccco2)CC1 ZINC000105862124 194149167 /nfs/dbraw/zinc/14/91/67/194149167.db2.gz FDUQQMROMJWEIS-AWEZNQCLSA-N 1 1 323.437 0.920 10 0 DCAEMO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882642 194156108 /nfs/dbraw/zinc/15/61/08/194156108.db2.gz XOTZVEPVCLYDIK-LBPRGKRZSA-N 1 1 308.386 0.226 10 0 DCAEMO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897338 194162811 /nfs/dbraw/zinc/16/28/11/194162811.db2.gz SPCWPQUGWBHZST-STQMWFEESA-N 1 1 322.409 0.760 10 0 DCAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000105897338 194162812 /nfs/dbraw/zinc/16/28/12/194162812.db2.gz SPCWPQUGWBHZST-STQMWFEESA-N 1 1 322.409 0.760 10 0 DCAEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000105929253 194173197 /nfs/dbraw/zinc/17/31/97/194173197.db2.gz MPUTXJWTVWCYFW-JTQLQIEISA-N 1 1 308.386 0.322 10 0 DCAEMO COCCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000106788193 194253073 /nfs/dbraw/zinc/25/30/73/194253073.db2.gz 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/nfs/dbraw/zinc/06/02/39/131060239.db2.gz CVWVIQGHTDHEII-GJZGRUSLSA-N 1 1 306.410 0.621 10 0 DCAEMO CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000284222386 131060241 /nfs/dbraw/zinc/06/02/41/131060241.db2.gz CVWVIQGHTDHEII-GJZGRUSLSA-N 1 1 306.410 0.621 10 0 DCAEMO CN(C)C(=O)c1ccc(CN2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH]1 ZINC000284222386 131060242 /nfs/dbraw/zinc/06/02/42/131060242.db2.gz CVWVIQGHTDHEII-GJZGRUSLSA-N 1 1 306.410 0.621 10 0 DCAEMO CN(C)C(=O)c1ccc(CN2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH]1 ZINC000284222386 131060243 /nfs/dbraw/zinc/06/02/43/131060243.db2.gz CVWVIQGHTDHEII-GJZGRUSLSA-N 1 1 306.410 0.621 10 0 DCAEMO Cc1ccn2ncc(C(=O)N3CCO[C@H]4CC[N@H+](C)C[C@@H]43)c2n1 ZINC000285698283 131194127 /nfs/dbraw/zinc/19/41/27/131194127.db2.gz IPTJUDAFXNMFOG-KBPBESRZSA-N 1 1 315.377 0.583 10 0 DCAEMO O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1COCC[NH2+]1 ZINC000088371745 395707362 /nfs/dbraw/zinc/70/73/62/395707362.db2.gz VMTCEYDRGANORE-GFCCVEGCSA-N 1 1 300.305 0.935 10 0 DCAEMO 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/nfs/dbraw/zinc/30/63/37/396306337.db2.gz YNQMWBQOBKXVDD-AWEZNQCLSA-N 1 1 322.409 0.688 10 0 DCAEMO CCOc1cccc(CNC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185191312 396321215 /nfs/dbraw/zinc/32/12/15/396321215.db2.gz IHMAIUCBCBVDFS-ZIAGYGMSSA-N 1 1 308.378 0.129 10 0 DCAEMO CCOc1cccc(CNC(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185191312 396321216 /nfs/dbraw/zinc/32/12/16/396321216.db2.gz IHMAIUCBCBVDFS-ZIAGYGMSSA-N 1 1 308.378 0.129 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCOCC2CC2)C[C@@H]1C ZINC000185263058 396324125 /nfs/dbraw/zinc/32/41/25/396324125.db2.gz PLGPVFFWIMYERN-UONOGXRCSA-N 1 1 313.442 0.900 10 0 DCAEMO COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185373073 396325890 /nfs/dbraw/zinc/32/58/90/396325890.db2.gz DIEHECAKEWSFMR-HNNXBMFYSA-N 1 1 312.458 0.833 10 0 DCAEMO COCC[NH+]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185373073 396325891 /nfs/dbraw/zinc/32/58/91/396325891.db2.gz DIEHECAKEWSFMR-HNNXBMFYSA-N 1 1 312.458 0.833 10 0 DCAEMO CCOC(=O)N1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000185913103 396337301 /nfs/dbraw/zinc/33/73/01/396337301.db2.gz WZAZJOZTNBIJRO-QWHCGFSZSA-N 1 1 310.398 0.707 10 0 DCAEMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CC1(CO)CC1 ZINC000186782239 396357631 /nfs/dbraw/zinc/35/76/31/396357631.db2.gz GEYMEQOCHVBXJE-UHFFFAOYSA-N 1 1 314.407 0.417 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)CC[N@H+]1CC(C)(C)O ZINC000186938168 396360254 /nfs/dbraw/zinc/36/02/54/396360254.db2.gz OFKIUAKPEUFGJI-GFCCVEGCSA-N 1 1 322.409 0.694 10 0 DCAEMO CC[N@@H+](CCO)CCNC(=O)NCCNC(=O)c1ccccc1 ZINC000187107733 396363919 /nfs/dbraw/zinc/36/39/19/396363919.db2.gz SZXCBTGOQLWIFG-UHFFFAOYSA-N 1 1 322.409 0.030 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000188410157 396381877 /nfs/dbraw/zinc/38/18/77/396381877.db2.gz SCVBDVQODUEMHZ-LLVKDONJSA-N 1 1 315.377 0.874 10 0 DCAEMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2CNCC3)[C@H](C)C1 ZINC000188779438 396386379 /nfs/dbraw/zinc/38/63/79/396386379.db2.gz 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ZINC000291512221 396495994 /nfs/dbraw/zinc/49/59/94/396495994.db2.gz ISXNJPOGZHXCRW-SNVBAGLBSA-N 1 1 304.350 0.615 10 0 DCAEMO Cn1c2cc(O)c(NC(=O)[C@H]3CCC[N@H+]3C)cc2n(C)c1=O ZINC000291512221 396495995 /nfs/dbraw/zinc/49/59/95/396495995.db2.gz ISXNJPOGZHXCRW-SNVBAGLBSA-N 1 1 304.350 0.615 10 0 DCAEMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)sc2nccn12 ZINC000269884941 396453417 /nfs/dbraw/zinc/45/34/17/396453417.db2.gz KBJYLTMHPQEBOQ-LLVKDONJSA-N 1 1 307.423 0.680 10 0 DCAEMO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)sc2nccn12 ZINC000269884941 396453419 /nfs/dbraw/zinc/45/34/19/396453419.db2.gz KBJYLTMHPQEBOQ-LLVKDONJSA-N 1 1 307.423 0.680 10 0 DCAEMO c1nc(N2CCCCC2)cc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000371807398 396477247 /nfs/dbraw/zinc/47/72/47/396477247.db2.gz AOSKULHNEXUIFF-AWEZNQCLSA-N 1 1 303.410 0.988 10 0 DCAEMO c1nc(N2CCCCC2)cc(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000371807398 396477248 /nfs/dbraw/zinc/47/72/48/396477248.db2.gz AOSKULHNEXUIFF-AWEZNQCLSA-N 1 1 303.410 0.988 10 0 DCAEMO 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ZINC000376138729 396883563 /nfs/dbraw/zinc/88/35/63/396883563.db2.gz DWBFWCMNTJFOCM-SNPRPXQTSA-N 1 1 324.421 0.897 10 0 DCAEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000332751694 396891999 /nfs/dbraw/zinc/89/19/99/396891999.db2.gz BJYFBGDVRWGVLB-SNPRPXQTSA-N 1 1 310.442 0.489 10 0 DCAEMO CCc1n[nH]cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000592758268 397243018 /nfs/dbraw/zinc/24/30/18/397243018.db2.gz VUDDGJFKRINGBG-CQSZACIVSA-N 1 1 319.409 0.526 10 0 DCAEMO C[N@@H+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)CO ZINC000382231806 397273743 /nfs/dbraw/zinc/27/37/43/397273743.db2.gz DFZAJBLDWYSVCA-LLVKDONJSA-N 1 1 306.362 0.346 10 0 DCAEMO C[C@@]1(NC(=O)[C@@H]2CNC(=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000405962152 397332253 /nfs/dbraw/zinc/33/22/53/397332253.db2.gz NQJGOFWDNDISKW-WMLDXEAASA-N 1 1 301.390 0.903 10 0 DCAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950426 397334113 /nfs/dbraw/zinc/33/41/13/397334113.db2.gz FTCUIQRRSFJDGV-NWDGAFQWSA-N 1 1 312.332 0.069 10 0 DCAEMO COCC[C@H](C)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408027866 397344847 /nfs/dbraw/zinc/34/48/47/397344847.db2.gz NADFYCUUUNXSGH-XQQFMLRXSA-N 1 1 306.428 0.146 10 0 DCAEMO NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000366540259 397373231 /nfs/dbraw/zinc/37/32/31/397373231.db2.gz WGIAZPYNTGCZQN-OCCSQVGLSA-N 1 1 309.410 0.354 10 0 DCAEMO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1CO ZINC000621366659 397381606 /nfs/dbraw/zinc/38/16/06/397381606.db2.gz OZQBNXXTRNNTCR-HZSPNIEDSA-N 1 1 304.456 0.608 10 0 DCAEMO O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404170744 397328189 /nfs/dbraw/zinc/32/81/89/397328189.db2.gz VTKLEUCEFLJUDO-STQMWFEESA-N 1 1 300.355 0.577 10 0 DCAEMO C[C@@](O)(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)C(F)(F)F ZINC000369201889 397434190 /nfs/dbraw/zinc/43/41/90/397434190.db2.gz CZVCXBVJQVOHEA-WCQYABFASA-N 1 1 324.343 0.871 10 0 DCAEMO CCOC(=O)CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000602439760 397401659 /nfs/dbraw/zinc/40/16/59/397401659.db2.gz KDPMCCFTEMCYTN-AWEZNQCLSA-N 1 1 307.394 0.515 10 0 DCAEMO CCOC(=O)CCNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000602439760 397401665 /nfs/dbraw/zinc/40/16/65/397401665.db2.gz KDPMCCFTEMCYTN-AWEZNQCLSA-N 1 1 307.394 0.515 10 0 DCAEMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000370331819 397471239 /nfs/dbraw/zinc/47/12/39/397471239.db2.gz DWNSWTQFIXCHHK-AWEZNQCLSA-N 1 1 301.350 0.214 10 0 DCAEMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000370331819 397471241 /nfs/dbraw/zinc/47/12/41/397471241.db2.gz DWNSWTQFIXCHHK-AWEZNQCLSA-N 1 1 301.350 0.214 10 0 DCAEMO CO[C@]1(C)CCC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000366487909 286160361 /nfs/dbraw/zinc/16/03/61/286160361.db2.gz ZPXVRAJLHNZZHL-XJKSGUPXSA-N 1 1 311.426 0.601 10 0 DCAEMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054887235 158021919 /nfs/dbraw/zinc/02/19/19/158021919.db2.gz DFNFOQSNCLBQSG-AWEZNQCLSA-N 1 1 311.426 0.424 10 0 DCAEMO 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0.831 10 0 DCAEMO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)O1 ZINC000329378005 159087347 /nfs/dbraw/zinc/08/73/47/159087347.db2.gz MGUDYLDYYKSJPI-TUVASFSCSA-N 1 1 323.437 0.565 10 0 DCAEMO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)O1 ZINC000329473248 159096755 /nfs/dbraw/zinc/09/67/55/159096755.db2.gz ANBUXDRVDZDPAG-RQJABVFESA-N 1 1 309.410 0.175 10 0 DCAEMO CC[N@@H+]1CCN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329766996 159118051 /nfs/dbraw/zinc/11/80/51/159118051.db2.gz YWDBPDNYOWXMSF-MRVWCRGKSA-N 1 1 323.397 0.031 10 0 DCAEMO CC[N@H+]1CCN(C(=O)c2cn([C@@H]3COC[C@H]3OC)nn2)[C@H](C)C1 ZINC000329766996 159118054 /nfs/dbraw/zinc/11/80/54/159118054.db2.gz YWDBPDNYOWXMSF-MRVWCRGKSA-N 1 1 323.397 0.031 10 0 DCAEMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330319918 159160006 /nfs/dbraw/zinc/16/00/06/159160006.db2.gz DRHBEBUEKBDDSJ-GZBFAFLISA-N 1 1 322.409 0.023 10 0 DCAEMO 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/nfs/dbraw/zinc/14/49/36/417144936.db2.gz BHWBQXQXCDCBKM-GFCCVEGCSA-N 1 1 322.361 0.813 10 0 DCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408282572 417150350 /nfs/dbraw/zinc/15/03/50/417150350.db2.gz YPUHZCISKMXSFK-UONOGXRCSA-N 1 1 311.426 0.158 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000408282572 417150358 /nfs/dbraw/zinc/15/03/58/417150358.db2.gz YPUHZCISKMXSFK-UONOGXRCSA-N 1 1 311.426 0.158 10 0 DCAEMO CC(C)[C@@H](C(=O)N1CCO[C@H](CO)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000408369968 417156664 /nfs/dbraw/zinc/15/66/64/417156664.db2.gz FDUOCWFGCAIFTD-KBXIAJHMSA-N 1 1 314.426 0.340 10 0 DCAEMO CNc1nc(N2CCC[N@@H+](CCO)CC2)nc2ccccc21 ZINC000450316115 417216744 /nfs/dbraw/zinc/21/67/44/417216744.db2.gz QOQVGRUEDMLMAP-UHFFFAOYSA-N 1 1 301.394 1.176 10 0 DCAEMO C=C/C(C)=C\CC(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000633107228 417364080 /nfs/dbraw/zinc/36/40/80/417364080.db2.gz YBTAEGWHHFVZBT-HWIKDYBBSA-N 1 1 323.437 0.804 10 0 DCAEMO 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ZINC000075831540 545674913 /nfs/dbraw/zinc/67/49/13/545674913.db2.gz QNNNIEFHOIWFQW-AWEZNQCLSA-N 1 1 309.410 0.368 10 0 DCAEMO CCN(CC)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262115649 545979673 /nfs/dbraw/zinc/97/96/73/545979673.db2.gz FPUWOYUNIQUAGQ-JYJNAYRXSA-N 1 1 305.422 0.766 10 0 DCAEMO C[C@@H]1C[C@@H](O)CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333667163 546088475 /nfs/dbraw/zinc/08/84/75/546088475.db2.gz MLORORGJJVIYHM-PRLABOORSA-N 1 1 324.469 0.615 10 0 DCAEMO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368793470 546209997 /nfs/dbraw/zinc/20/99/97/546209997.db2.gz WVWSGWBRXOPNCJ-JGVFFNPUSA-N 1 1 309.288 0.220 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)[C@H]1C(C)C ZINC000888094588 661162328 /nfs/dbraw/zinc/16/23/28/661162328.db2.gz DPYQAMAODIKCHA-RRCSTGOVSA-N 1 1 321.425 0.264 10 0 DCAEMO COCC[N@@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@@H]1C ZINC000892355584 657719291 /nfs/dbraw/zinc/71/92/91/657719291.db2.gz WKYJELFMKJPRDU-AWEZNQCLSA-N 1 1 316.409 0.878 10 0 DCAEMO COCC[N@H+]1CCN(c2nnnn2Cc2ccccc2)C[C@@H]1C ZINC000892355584 657719296 /nfs/dbraw/zinc/71/92/96/657719296.db2.gz WKYJELFMKJPRDU-AWEZNQCLSA-N 1 1 316.409 0.878 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160427193 658000923 /nfs/dbraw/zinc/00/09/23/658000923.db2.gz CQWLYTDUHRKXBO-LBPRGKRZSA-N 1 1 324.356 0.386 10 0 DCAEMO O=C(N[C@@H]1CCOC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000179168765 658208524 /nfs/dbraw/zinc/20/85/24/658208524.db2.gz HVFGAXFPVHHSGD-HZPDHXFCSA-N 1 1 319.405 0.836 10 0 DCAEMO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000888077146 658716796 /nfs/dbraw/zinc/71/67/96/658716796.db2.gz NHQBXQBSMIYGRQ-INIZCTEOSA-N 1 1 321.425 0.243 10 0 DCAEMO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000888077146 658716800 /nfs/dbraw/zinc/71/68/00/658716800.db2.gz NHQBXQBSMIYGRQ-INIZCTEOSA-N 1 1 321.425 0.243 10 0 DCAEMO CC1([C@@H]2CCC[N@@H+](C[C@H](O)CN3CCOCC3)C2)OCCO1 ZINC000183831402 659194629 /nfs/dbraw/zinc/19/46/29/659194629.db2.gz SVVVWJCQCOSXQQ-HUUCEWRRSA-N 1 1 314.426 0.155 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728155016 662358716 /nfs/dbraw/zinc/35/87/16/662358716.db2.gz OHEUISNSJKFKJL-ILXRZTDVSA-N 1 1 315.410 0.628 10 0 DCAEMO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@](O)(c3cn[nH]n3)C2)C1 ZINC000908096053 663732982 /nfs/dbraw/zinc/73/29/82/663732982.db2.gz LSHCBFFGIVCZTR-BBRMVZONSA-N 1 1 321.425 0.737 10 0 DCAEMO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)C1 ZINC000908096053 663732984 /nfs/dbraw/zinc/73/29/84/663732984.db2.gz LSHCBFFGIVCZTR-BBRMVZONSA-N 1 1 321.425 0.737 10 0 DCAEMO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)C1 ZINC000908096053 663732985 /nfs/dbraw/zinc/73/29/85/663732985.db2.gz LSHCBFFGIVCZTR-BBRMVZONSA-N 1 1 321.425 0.737 10 0 DCAEMO C/C=C\[C@H](O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000908108491 663734152 /nfs/dbraw/zinc/73/41/52/663734152.db2.gz WUEFJRIEYOPHFI-KFONCHKLSA-N 1 1 306.410 0.856 10 0 DCAEMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912415004 664169235 /nfs/dbraw/zinc/16/92/35/664169235.db2.gz AWVRWXAKGBBCHQ-JKSUJKDBSA-N 1 1 304.390 0.728 10 0 DCAEMO COC(CNC(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221553 664291727 /nfs/dbraw/zinc/29/17/27/664291727.db2.gz UQIXZDGTTNAEOO-ZFWWWQNUSA-N 1 1 322.405 0.968 10 0 DCAEMO COC(CNC(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221553 664291730 /nfs/dbraw/zinc/29/17/30/664291730.db2.gz UQIXZDGTTNAEOO-ZFWWWQNUSA-N 1 1 322.405 0.968 10 0 DCAEMO Clc1nc2nc[nH]c2c(N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000165488813 664417303 /nfs/dbraw/zinc/41/73/03/664417303.db2.gz BJRWTLSYJZQSBJ-VIFPVBQESA-N 1 1 308.773 0.917 10 0 DCAEMO COc1cc(N2CC[NH+](CC[C@H]3CCOC3=O)CC2)ncn1 ZINC000184075268 666182884 /nfs/dbraw/zinc/18/28/84/666182884.db2.gz SIPMNQAQJDCNDU-LBPRGKRZSA-N 1 1 306.366 0.560 10 0 DCAEMO CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CCC([C@@H](C)O)CC2)C1 ZINC000184874479 666297207 /nfs/dbraw/zinc/29/72/07/666297207.db2.gz MOUFQAKGYZATSS-WBMJQRKESA-N 1 1 312.410 0.838 10 0 DCAEMO CC(C)C[C@@H](O)CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702402388 666954917 /nfs/dbraw/zinc/95/49/17/666954917.db2.gz LCOBJOXKRQINCA-HZPDHXFCSA-N 1 1 307.438 0.969 10 0 DCAEMO CC(C)C[C@@H](O)CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000702402388 666954920 /nfs/dbraw/zinc/95/49/20/666954920.db2.gz LCOBJOXKRQINCA-HZPDHXFCSA-N 1 1 307.438 0.969 10 0 DCAEMO O=C(COC1CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000717737288 667878790 /nfs/dbraw/zinc/87/87/90/667878790.db2.gz HWJAGJKKOKSILX-KRWDZBQOSA-N 1 1 304.390 0.919 10 0 DCAEMO COC(=O)c1cn(CN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000042080980 669826105 /nfs/dbraw/zinc/82/61/05/669826105.db2.gz QOXXGHULTZVDMB-UHFFFAOYSA-N 1 1 315.377 0.840 10 0 DCAEMO COC[C@H](C)OC[C@@H](O)C[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000713967679 670172274 /nfs/dbraw/zinc/17/22/74/670172274.db2.gz VWLXEYYSJFCCBC-RYUDHWBXSA-N 1 1 311.444 0.154 10 0 DCAEMO 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Cc1cc(N2CC[C@H]([NH+]3CCC(C)(CO)CC3)C2=O)n(C)n1 ZINC000186950415 396360977 /nfs/dbraw/zinc/36/09/77/396360977.db2.gz OQLHSWABXGZAOI-ZDUSSCGKSA-N 1 1 306.410 0.928 10 0 DCAEMO O=S(=O)(c1cnn(CC(F)F)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000186975305 396360999 /nfs/dbraw/zinc/36/09/99/396360999.db2.gz IJXIDLNGZJZCSN-SNVBAGLBSA-N 1 1 320.365 0.617 10 0 DCAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3c[nH]c(=S)[nH]3)C2)CC1 ZINC000187142233 396363651 /nfs/dbraw/zinc/36/36/51/396363651.db2.gz GUTLJLKMYDBLRG-GFCCVEGCSA-N 1 1 323.466 0.941 10 0 DCAEMO CN1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1=O ZINC000189776066 396399017 /nfs/dbraw/zinc/39/90/17/396399017.db2.gz GFFNIZNUXOQVCW-HNNXBMFYSA-N 1 1 303.406 0.850 10 0 DCAEMO Cc1nn(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000190951285 396413040 /nfs/dbraw/zinc/41/30/40/396413040.db2.gz OBBSOXRSKGCJBG-GXTWGEPZSA-N 1 1 319.409 0.610 10 0 DCAEMO CCOc1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cn1 ZINC000191097075 396415137 /nfs/dbraw/zinc/41/51/37/396415137.db2.gz 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ZINC000372429129 396517233 /nfs/dbraw/zinc/51/72/33/396517233.db2.gz ARTXIJSWRRJUAY-JSGCOSHPSA-N 1 1 321.406 0.776 10 0 DCAEMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c[nH]cn2)[C@@H]1c1cccnc1 ZINC000372429129 396517236 /nfs/dbraw/zinc/51/72/36/396517236.db2.gz ARTXIJSWRRJUAY-JSGCOSHPSA-N 1 1 321.406 0.776 10 0 DCAEMO CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738130 396542738 /nfs/dbraw/zinc/54/27/38/396542738.db2.gz IVSWXPJZOMXQSO-RKDXNWHRSA-N 1 1 309.288 0.268 10 0 DCAEMO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)CCN2C1=O ZINC000372738130 396542739 /nfs/dbraw/zinc/54/27/39/396542739.db2.gz IVSWXPJZOMXQSO-RKDXNWHRSA-N 1 1 309.288 0.268 10 0 DCAEMO C[C@]1(CO)C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@]1(C)CO ZINC000528754273 396565126 /nfs/dbraw/zinc/56/51/26/396565126.db2.gz YOVAJLZQWGPZKM-KURKYZTESA-N 1 1 323.433 0.877 10 0 DCAEMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000533386329 396602362 /nfs/dbraw/zinc/60/23/62/396602362.db2.gz QZUKMNKKMPSKPR-UHFFFAOYSA-N 1 1 307.350 0.810 10 0 DCAEMO NC(=O)C[NH+]1CCC(C(=O)NC2(CO)CCCCCC2)CC1 ZINC000584884401 396631657 /nfs/dbraw/zinc/63/16/57/396631657.db2.gz QPRBZTOLDPFJEM-UHFFFAOYSA-N 1 1 311.426 0.385 10 0 DCAEMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000374925806 396698764 /nfs/dbraw/zinc/69/87/64/396698764.db2.gz DHNKEYMOXPNMNV-LBPRGKRZSA-N 1 1 312.391 0.711 10 0 DCAEMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000374925806 396698766 /nfs/dbraw/zinc/69/87/66/396698766.db2.gz DHNKEYMOXPNMNV-LBPRGKRZSA-N 1 1 312.391 0.711 10 0 DCAEMO CC1CC[NH+](C[C@H](O)CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000304256539 396729110 /nfs/dbraw/zinc/72/91/10/396729110.db2.gz ZPASVTLYKGKKKB-GFCCVEGCSA-N 1 1 306.410 0.721 10 0 DCAEMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000610662388 396744711 /nfs/dbraw/zinc/74/47/11/396744711.db2.gz GESXJUYMRSPVKQ-SNVBAGLBSA-N 1 1 306.370 0.377 10 0 DCAEMO COC(=O)[C@@H](C1CC1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611668428 396905469 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CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000620733912 397299326 /nfs/dbraw/zinc/29/93/26/397299326.db2.gz NTKYOQLKBFBREL-UHFFFAOYSA-N 1 1 323.418 0.978 10 0 DCAEMO CNS(=O)(=O)CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950441 397333322 /nfs/dbraw/zinc/33/33/22/397333322.db2.gz AOKWAOXYBQMXMR-SECBINFHSA-N 1 1 304.334 0.315 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000407950441 397333325 /nfs/dbraw/zinc/33/33/25/397333325.db2.gz AOKWAOXYBQMXMR-SECBINFHSA-N 1 1 304.334 0.315 10 0 DCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCC3CC3)CC2)CCO1 ZINC000407951163 397333958 /nfs/dbraw/zinc/33/39/58/397333958.db2.gz BLXGQEAVRUDSHY-GFCCVEGCSA-N 1 1 309.410 0.224 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408349211 397353481 /nfs/dbraw/zinc/35/34/81/397353481.db2.gz NMQDRDWRILBIAP-ZDUSSCGKSA-N 1 1 306.428 0.196 10 0 DCAEMO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)O1 ZINC000370431595 397484987 /nfs/dbraw/zinc/48/49/87/397484987.db2.gz 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158037643 /nfs/dbraw/zinc/03/76/43/158037643.db2.gz MPDJOCWLORSEKI-CYBMUJFWSA-N 1 1 311.426 0.424 10 0 DCAEMO CCCC(=O)NCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000074139344 158057885 /nfs/dbraw/zinc/05/78/85/158057885.db2.gz ZUSIGKKXMJUOGO-UHFFFAOYSA-N 1 1 312.458 0.293 10 0 DCAEMO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](C2CC2)CC1 ZINC000079060043 158077814 /nfs/dbraw/zinc/07/78/14/158077814.db2.gz IQRNLHZBEYJILT-GFCCVEGCSA-N 1 1 306.410 0.629 10 0 DCAEMO CNC(=O)NC(=O)[C@H](C)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079490745 158079119 /nfs/dbraw/zinc/07/91/19/158079119.db2.gz AEGHKRACXVNIIB-NEPJUHHUSA-N 1 1 312.414 0.016 10 0 DCAEMO C[N@H+]1CCN(C(=O)CN2CC(=O)NC2=O)C2(CCCCC2)C1 ZINC000080941232 158082468 /nfs/dbraw/zinc/08/24/68/158082468.db2.gz OZISAILPYFEYHF-UHFFFAOYSA-N 1 1 308.382 0.015 10 0 DCAEMO Cc1nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(=O)[nH]c1C ZINC000092516562 158114985 /nfs/dbraw/zinc/11/49/85/158114985.db2.gz NLGWBXANIOMETR-CHWSQXEVSA-N 1 1 304.394 0.943 10 0 DCAEMO 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CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCN(C(C)=O)CC1 ZINC000246214862 281199026 /nfs/dbraw/zinc/19/90/26/281199026.db2.gz CQJCSHMTTOQNHF-HOTGVXAUSA-N 1 1 322.453 0.236 10 0 DCAEMO Cn1cc(OCC(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000554548216 288328006 /nfs/dbraw/zinc/32/80/06/288328006.db2.gz OLUIXWAVLZGIQG-UHFFFAOYSA-N 1 1 314.389 0.973 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000408209923 290096270 /nfs/dbraw/zinc/09/62/70/290096270.db2.gz FKBPCBPLDKFQTA-BYNSBNAKSA-N 1 1 313.442 0.898 10 0 DCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@H]2Cc3ccccc3O2)cn1 ZINC000181331381 294300881 /nfs/dbraw/zinc/30/08/81/294300881.db2.gz OEKZRRDIHUJUPT-GDBMZVCRSA-N 1 1 312.373 0.897 10 0 DCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397895 300213280 /nfs/dbraw/zinc/21/32/80/300213280.db2.gz ZREHBTUEIYLSLQ-WDEREUQCSA-N 1 1 305.444 0.113 10 0 DCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000408397895 300213282 /nfs/dbraw/zinc/21/32/82/300213282.db2.gz ZREHBTUEIYLSLQ-WDEREUQCSA-N 1 1 305.444 0.113 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000329296285 300319198 /nfs/dbraw/zinc/31/91/98/300319198.db2.gz SUSLPYFXDBKVKR-FQUUOJAGSA-N 1 1 309.410 0.317 10 0 DCAEMO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000170685621 332866255 /nfs/dbraw/zinc/86/62/55/332866255.db2.gz NOZOJHQNUFGDDA-KBPBESRZSA-N 1 1 311.426 0.601 10 0 DCAEMO CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000570945204 333006658 /nfs/dbraw/zinc/00/66/58/333006658.db2.gz AITDFCKTTGQLSB-ZDUSSCGKSA-N 1 1 317.397 0.219 10 0 DCAEMO CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000570945204 333006660 /nfs/dbraw/zinc/00/66/60/333006660.db2.gz AITDFCKTTGQLSB-ZDUSSCGKSA-N 1 1 317.397 0.219 10 0 DCAEMO CC(C)C[C@@H](CNC(=O)N1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000119147595 519208828 /nfs/dbraw/zinc/20/88/28/519208828.db2.gz JEQPEMCLMBOGRH-GJZGRUSLSA-N 1 1 313.442 0.757 10 0 DCAEMO CC(=O)NC1C[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1 ZINC000191729865 519649407 /nfs/dbraw/zinc/64/94/07/519649407.db2.gz ZKEOVPDZKKLAIV-OAHLLOKOSA-N 1 1 316.405 0.834 10 0 DCAEMO CCCNC(=O)c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)nc1 ZINC000364884540 519898541 /nfs/dbraw/zinc/89/85/41/519898541.db2.gz QWKZREWSNIFTGG-CQSZACIVSA-N 1 1 304.394 0.742 10 0 DCAEMO CCCNC(=O)c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)nc1 ZINC000364884540 519898546 /nfs/dbraw/zinc/89/85/46/519898546.db2.gz QWKZREWSNIFTGG-CQSZACIVSA-N 1 1 304.394 0.742 10 0 DCAEMO C[NH2+][C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)c1cnn(C)c1 ZINC000262572154 522318229 /nfs/dbraw/zinc/31/82/29/522318229.db2.gz SMNUCAGXACFUSH-ZIAGYGMSSA-N 1 1 306.341 0.670 10 0 DCAEMO C[NH2+][C@H](C(=O)NC[C@H](O)c1ccc(C)cc1)c1cnn(C)c1 ZINC000262061122 522434624 /nfs/dbraw/zinc/43/46/24/522434624.db2.gz INIRXUXZFGAGSV-GJZGRUSLSA-N 1 1 302.378 0.839 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000131456942 522553036 /nfs/dbraw/zinc/55/30/36/522553036.db2.gz IQUIXCXSSBKTLO-OCCSQVGLSA-N 1 1 323.393 0.313 10 0 DCAEMO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000249101156 523970861 /nfs/dbraw/zinc/97/08/61/523970861.db2.gz CVJNFCUMBAZLDT-UONOGXRCSA-N 1 1 311.426 0.472 10 0 DCAEMO C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587834 524199390 /nfs/dbraw/zinc/19/93/90/524199390.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 1 1 317.433 0.880 10 0 DCAEMO C[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587834 524199399 /nfs/dbraw/zinc/19/93/99/524199399.db2.gz GPTQWQMPFKCXTG-WMLDXEAASA-N 1 1 317.433 0.880 10 0 DCAEMO Cc1cc(C)n([C@H](C)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000246738274 524553477 /nfs/dbraw/zinc/55/34/77/524553477.db2.gz MSINXOZRVAAVKT-RRFJBIMHSA-N 1 1 308.426 0.974 10 0 DCAEMO Cc1cc(C)n([C@H](C)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000246738274 524553485 /nfs/dbraw/zinc/55/34/85/524553485.db2.gz MSINXOZRVAAVKT-RRFJBIMHSA-N 1 1 308.426 0.974 10 0 DCAEMO C[C@@H](CNC(=O)c1cnn2c1CCCC2)C[NH+]1CCOCC1 ZINC000127516673 524729125 /nfs/dbraw/zinc/72/91/25/524729125.db2.gz IJVBXMMGHPHDSC-ZDUSSCGKSA-N 1 1 306.410 0.918 10 0 DCAEMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249530583 525907167 /nfs/dbraw/zinc/90/71/67/525907167.db2.gz AVYODBNYKBVHID-RDBSUJKOSA-N 1 1 300.399 0.096 10 0 DCAEMO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249530583 525907173 /nfs/dbraw/zinc/90/71/73/525907173.db2.gz AVYODBNYKBVHID-RDBSUJKOSA-N 1 1 300.399 0.096 10 0 DCAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000248046713 526962376 /nfs/dbraw/zinc/96/23/76/526962376.db2.gz VGOFPZWHXKOCLF-JKIFEVAISA-N 1 1 323.437 0.337 10 0 DCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCN2CCOCC2)C1 ZINC000246727392 529098685 /nfs/dbraw/zinc/09/86/85/529098685.db2.gz AKVQMRMGEGONIM-LSDHHAIUSA-N 1 1 312.458 0.737 10 0 DCAEMO O=C(C[N@@H+]1CCCN(Cc2cncnc2)CC1)N1CCCC1 ZINC000129268877 545782190 /nfs/dbraw/zinc/78/21/90/545782190.db2.gz GGTZJUKJQXAYFZ-UHFFFAOYSA-N 1 1 303.410 0.607 10 0 DCAEMO O=C(C[N@H+]1CCCN(Cc2cncnc2)CC1)N1CCCC1 ZINC000129268877 545782200 /nfs/dbraw/zinc/78/22/00/545782200.db2.gz GGTZJUKJQXAYFZ-UHFFFAOYSA-N 1 1 303.410 0.607 10 0 DCAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000248656047 545969118 /nfs/dbraw/zinc/96/91/18/545969118.db2.gz QZPJZTDEILLHQT-CHWSQXEVSA-N 1 1 308.444 0.178 10 0 DCAEMO C[C@H](CC(=O)NCCc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262182753 545980431 /nfs/dbraw/zinc/98/04/31/545980431.db2.gz WXYNDANWQZWRQI-BMFZPTHFSA-N 1 1 305.422 0.294 10 0 DCAEMO O=S(=O)(c1cccc(Cl)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405273582 546227942 /nfs/dbraw/zinc/22/79/42/546227942.db2.gz PZKSDAQTNHEQBU-NWDGAFQWSA-N 1 1 316.810 0.780 10 0 DCAEMO O=S(=O)(c1cccc(Cl)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405273582 546227945 /nfs/dbraw/zinc/22/79/45/546227945.db2.gz PZKSDAQTNHEQBU-NWDGAFQWSA-N 1 1 316.810 0.780 10 0 DCAEMO OCC[N@@H+](CCOc1ccc(F)cc1)CCN1CCOCC1 ZINC000487494206 546269097 /nfs/dbraw/zinc/26/90/97/546269097.db2.gz CYDKILLWPWQSKT-UHFFFAOYSA-N 1 1 312.385 0.831 10 0 DCAEMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501527 661281962 /nfs/dbraw/zinc/28/19/62/661281962.db2.gz QUYZLRPXYQQXQN-GHMZBOCLSA-N 1 1 322.427 0.950 10 0 DCAEMO O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1csc(C2CC2)n1 ZINC000725050162 658083827 /nfs/dbraw/zinc/08/38/27/658083827.db2.gz LAPTUZBZARTBFG-GFCCVEGCSA-N 1 1 315.464 0.887 10 0 DCAEMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000048742593 658426209 /nfs/dbraw/zinc/42/62/09/658426209.db2.gz PEBJIJUXKVZYPC-VIFPVBQESA-N 1 1 314.798 0.970 10 0 DCAEMO C[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000048742593 658426216 /nfs/dbraw/zinc/42/62/16/658426216.db2.gz PEBJIJUXKVZYPC-VIFPVBQESA-N 1 1 314.798 0.970 10 0 DCAEMO CCC(=O)CC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000190217669 658527145 /nfs/dbraw/zinc/52/71/45/658527145.db2.gz HUHMNTFESKZVMB-UHFFFAOYSA-N 1 1 302.382 0.924 10 0 DCAEMO C#CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204287 662133062 /nfs/dbraw/zinc/13/30/62/662133062.db2.gz CPMHUOOSMOAEHV-AWEZNQCLSA-N 1 1 314.389 0.790 10 0 DCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C ZINC000895582295 662197369 /nfs/dbraw/zinc/19/73/69/662197369.db2.gz TXSMCJNEIDKZRG-OLZOCXBDSA-N 1 1 318.421 0.967 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C ZINC000895582295 662197371 /nfs/dbraw/zinc/19/73/71/662197371.db2.gz TXSMCJNEIDKZRG-OLZOCXBDSA-N 1 1 318.421 0.967 10 0 DCAEMO Cn1ccnc1-c1cc(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH]n1 ZINC000897088630 662389381 /nfs/dbraw/zinc/38/93/81/662389381.db2.gz QTHNZJMJBQMAEA-CMPLNLGQSA-N 1 1 316.365 0.612 10 0 DCAEMO Cn1ccnc1-c1cc(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n[nH]1 ZINC000897088630 662389382 /nfs/dbraw/zinc/38/93/82/662389382.db2.gz QTHNZJMJBQMAEA-CMPLNLGQSA-N 1 1 316.365 0.612 10 0 DCAEMO Cn1ccnc1-c1cc(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n[nH]1 ZINC000897088630 662389383 /nfs/dbraw/zinc/38/93/83/662389383.db2.gz QTHNZJMJBQMAEA-CMPLNLGQSA-N 1 1 316.365 0.612 10 0 DCAEMO O=C(N[C@H]1CCOC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179168797 662812508 /nfs/dbraw/zinc/81/25/08/662812508.db2.gz HVFGAXFPVHHSGD-HOTGVXAUSA-N 1 1 319.405 0.836 10 0 DCAEMO Cc1cnn([C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)c1 ZINC000900603250 663260102 /nfs/dbraw/zinc/26/01/02/663260102.db2.gz MUINZCSAQIIFEE-IIAWOOMASA-N 1 1 306.410 0.810 10 0 DCAEMO COc1cc(CO)ccc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000908096886 663733238 /nfs/dbraw/zinc/73/32/38/663733238.db2.gz NVYBNTBZDZIAKV-HUUCEWRRSA-N 1 1 320.389 0.733 10 0 DCAEMO CN1C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]21 ZINC000908108666 663734128 /nfs/dbraw/zinc/73/41/28/663734128.db2.gz HNUALEYHVCJSKH-YIYPIFLZSA-N 1 1 306.410 0.628 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1cn[nH]n1 ZINC000911355734 664035687 /nfs/dbraw/zinc/03/56/87/664035687.db2.gz QUGYFAUQBDCLKV-AYRXBEOTSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355734 664035688 /nfs/dbraw/zinc/03/56/88/664035688.db2.gz QUGYFAUQBDCLKV-AYRXBEOTSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355734 664035692 /nfs/dbraw/zinc/03/56/92/664035692.db2.gz QUGYFAUQBDCLKV-AYRXBEOTSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355734 664035693 /nfs/dbraw/zinc/03/56/93/664035693.db2.gz QUGYFAUQBDCLKV-AYRXBEOTSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355734 664035695 /nfs/dbraw/zinc/03/56/95/664035695.db2.gz QUGYFAUQBDCLKV-AYRXBEOTSA-N 1 1 319.409 0.762 10 0 DCAEMO CC[NH+]1CCN(C(=O)[C@@H]2CN(C(C)=O)Cc3cccnc32)CC1 ZINC000222651267 664385555 /nfs/dbraw/zinc/38/55/55/664385555.db2.gz WXZRYHIHAZYNCB-OAHLLOKOSA-N 1 1 316.405 0.691 10 0 DCAEMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000261543402 665399433 /nfs/dbraw/zinc/39/94/33/665399433.db2.gz HRMYWUPUZOBLAR-JKSUJKDBSA-N 1 1 303.406 0.756 10 0 DCAEMO COCC[N@@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@@H]1C ZINC000185006097 666318018 /nfs/dbraw/zinc/31/80/18/666318018.db2.gz XCVLHVHNMNXMJG-ZDUSSCGKSA-N 1 1 309.414 0.325 10 0 DCAEMO COCC[N@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@@H]1C ZINC000185006097 666318020 /nfs/dbraw/zinc/31/80/20/666318020.db2.gz XCVLHVHNMNXMJG-ZDUSSCGKSA-N 1 1 309.414 0.325 10 0 DCAEMO CCN(CC(=O)NC)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702358184 666940600 /nfs/dbraw/zinc/94/06/00/666940600.db2.gz QOSKLUFYEDXPFJ-AWEZNQCLSA-N 1 1 306.410 0.040 10 0 DCAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H](O)C(F)(F)F ZINC000702355619 666940974 /nfs/dbraw/zinc/94/09/74/666940974.db2.gz HZDSMPKYFMKFAT-NWDGAFQWSA-N 1 1 319.327 0.485 10 0 DCAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@@H](O)C(F)(F)F ZINC000702355619 666940976 /nfs/dbraw/zinc/94/09/76/666940976.db2.gz HZDSMPKYFMKFAT-NWDGAFQWSA-N 1 1 319.327 0.485 10 0 DCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000735202387 666968689 /nfs/dbraw/zinc/96/86/89/666968689.db2.gz VJEBUDKXDDCMKJ-JOCHJYFZSA-N 1 1 323.418 0.455 10 0 DCAEMO CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000735202387 666968695 /nfs/dbraw/zinc/96/86/95/666968695.db2.gz VJEBUDKXDDCMKJ-JOCHJYFZSA-N 1 1 323.418 0.455 10 0 DCAEMO C[C@@H](C[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306774 667080460 /nfs/dbraw/zinc/08/04/60/667080460.db2.gz UHXGDSKCUGNXQH-VHSXEESVSA-N 1 1 308.400 0.560 10 0 DCAEMO C[C@H](C[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306772 667080689 /nfs/dbraw/zinc/08/06/89/667080689.db2.gz UHXGDSKCUGNXQH-NXEZZACHSA-N 1 1 308.400 0.560 10 0 DCAEMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1C ZINC000121901806 667514092 /nfs/dbraw/zinc/51/40/92/667514092.db2.gz JNPLGIZBLSCUCU-TXEJJXNPSA-N 1 1 322.409 0.305 10 0 DCAEMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1C ZINC000121901806 667514095 /nfs/dbraw/zinc/51/40/95/667514095.db2.gz JNPLGIZBLSCUCU-TXEJJXNPSA-N 1 1 322.409 0.305 10 0 DCAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)c2ccc(=O)[nH]n2)C1 ZINC000886075688 667729116 /nfs/dbraw/zinc/72/91/16/667729116.db2.gz WQNFOINPDBZGMP-WZRBSPASSA-N 1 1 306.366 0.554 10 0 DCAEMO C[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000742218782 667785077 /nfs/dbraw/zinc/78/50/77/667785077.db2.gz ORPUHWIXUQNSKG-GJZGRUSLSA-N 1 1 306.410 0.842 10 0 DCAEMO CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000189145926 670092902 /nfs/dbraw/zinc/09/29/02/670092902.db2.gz RLNVJKITZKMBKX-HUUCEWRRSA-N 1 1 321.425 0.812 10 0 DCAEMO CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)C1 ZINC000189145926 670092908 /nfs/dbraw/zinc/09/29/08/670092908.db2.gz RLNVJKITZKMBKX-HUUCEWRRSA-N 1 1 321.425 0.812 10 0 DCAEMO COC(=O)CC[N@@H+](CC(=O)NC(C)(C)C)C1CCOCC1 ZINC000076144874 670102580 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/nfs/dbraw/zinc/07/05/85/416070585.db2.gz XKCYOKBPLQAPPX-CYBMUJFWSA-N 1 1 312.414 0.019 10 0 DCAEMO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2C1 ZINC000164923730 416018248 /nfs/dbraw/zinc/01/82/48/416018248.db2.gz OOFUADMZEAENIO-CVEARBPZSA-N 1 1 317.433 0.662 10 0 DCAEMO CC[N@@H+]1CCO[C@H](CNc2ccccc2S(=O)(=O)NC)C1 ZINC000166103434 416021811 /nfs/dbraw/zinc/02/18/11/416021811.db2.gz PVXKHZJIXYVOOA-GFCCVEGCSA-N 1 1 313.423 0.727 10 0 DCAEMO CC[N@H+]1CCO[C@H](CNc2ccccc2S(=O)(=O)NC)C1 ZINC000166103434 416021814 /nfs/dbraw/zinc/02/18/14/416021814.db2.gz PVXKHZJIXYVOOA-GFCCVEGCSA-N 1 1 313.423 0.727 10 0 DCAEMO COCC[N@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171732368 416040581 /nfs/dbraw/zinc/04/05/81/416040581.db2.gz PWVJRPAKLMVGOB-LBPRGKRZSA-N 1 1 306.428 0.037 10 0 DCAEMO COCC[N@@H+](CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000171732368 416040583 /nfs/dbraw/zinc/04/05/83/416040583.db2.gz PWVJRPAKLMVGOB-LBPRGKRZSA-N 1 1 306.428 0.037 10 0 DCAEMO 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396587753 /nfs/dbraw/zinc/58/77/53/396587753.db2.gz JIHVEZUNRHLPNJ-KGLIPLIRSA-N 1 1 320.393 0.697 10 0 DCAEMO Cc1nn(C)c(C)c1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000533614401 396609113 /nfs/dbraw/zinc/60/91/13/396609113.db2.gz LZUCLLATNQDOQY-SNVBAGLBSA-N 1 1 307.398 0.433 10 0 DCAEMO CC[C@@H](CO)[N@@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000293894976 396639604 /nfs/dbraw/zinc/63/96/04/396639604.db2.gz NDODOSFFHOWYRR-RYUDHWBXSA-N 1 1 306.362 0.346 10 0 DCAEMO CSCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374833516 396691081 /nfs/dbraw/zinc/69/10/81/396691081.db2.gz FFIGQRWHYRIQLR-GFCCVEGCSA-N 1 1 308.469 0.476 10 0 DCAEMO Cc1nc(C)n([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000375789218 396819630 /nfs/dbraw/zinc/81/96/30/396819630.db2.gz IXEOULVPWYQUSX-AWEZNQCLSA-N 1 1 307.398 0.391 10 0 DCAEMO Cc1nc(C)n([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000375789218 396819635 /nfs/dbraw/zinc/81/96/35/396819635.db2.gz IXEOULVPWYQUSX-AWEZNQCLSA-N 1 1 307.398 0.391 10 0 DCAEMO 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/nfs/dbraw/zinc/08/58/89/416085889.db2.gz SMIZWQZREWLQIZ-KGLIPLIRSA-N 1 1 313.442 0.670 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000174984468 416093035 /nfs/dbraw/zinc/09/30/35/416093035.db2.gz CWNMQLGIZNBCRI-QWHCGFSZSA-N 1 1 314.393 0.752 10 0 DCAEMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000175064218 416095357 /nfs/dbraw/zinc/09/53/57/416095357.db2.gz RFTVCVRVQCTHIN-HNNXBMFYSA-N 1 1 306.410 0.847 10 0 DCAEMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(c3ccnn3C)CC2)C1 ZINC000175064218 416095359 /nfs/dbraw/zinc/09/53/59/416095359.db2.gz RFTVCVRVQCTHIN-HNNXBMFYSA-N 1 1 306.410 0.847 10 0 DCAEMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000175103979 416095701 /nfs/dbraw/zinc/09/57/01/416095701.db2.gz KGVMXTJEORRVNN-SNVBAGLBSA-N 1 1 304.350 0.261 10 0 DCAEMO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000175737006 416111963 /nfs/dbraw/zinc/11/19/63/416111963.db2.gz RJWGTAXHTPLXIH-KBPBESRZSA-N 1 1 301.431 0.805 10 0 DCAEMO 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VZGVNSHKFFJCOX-LBPRGKRZSA-N 1 1 320.459 0.051 10 0 DCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177761897 416151892 /nfs/dbraw/zinc/15/18/92/416151892.db2.gz AJIOBDKXCIDPHS-UKRRQHHQSA-N 1 1 322.453 0.282 10 0 DCAEMO Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CCO2)[nH]1 ZINC000178847030 416175008 /nfs/dbraw/zinc/17/50/08/416175008.db2.gz MECJFFVMPZYSBF-XUXIUFHCSA-N 1 1 319.409 0.934 10 0 DCAEMO CCCC[C@@H](NC(N)=O)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181363107 416206070 /nfs/dbraw/zinc/20/60/70/416206070.db2.gz IYMPBFUJGUHDLZ-OLZOCXBDSA-N 1 1 322.413 0.120 10 0 DCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cc2cccc(O)c2)cn1 ZINC000181444543 416208690 /nfs/dbraw/zinc/20/86/90/416208690.db2.gz PWNUPPNMBZUZLB-OAHLLOKOSA-N 1 1 300.362 0.841 10 0 DCAEMO COCc1nc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000182465399 416224171 /nfs/dbraw/zinc/22/41/71/416224171.db2.gz GXGCMXLDVWGDPG-AWEZNQCLSA-N 1 1 323.441 0.818 10 0 DCAEMO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000178324794 416160013 /nfs/dbraw/zinc/16/00/13/416160013.db2.gz CEWWPLNMSZCXEO-CABCVRRESA-N 1 1 306.410 0.639 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)OC)co1 ZINC000183540159 416244745 /nfs/dbraw/zinc/24/47/45/416244745.db2.gz DFHWLRDOHURGJN-GFCCVEGCSA-N 1 1 310.350 0.907 10 0 DCAEMO CN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1=O ZINC000190381637 416278146 /nfs/dbraw/zinc/27/81/46/416278146.db2.gz QREAIHALDLMMBL-AWEZNQCLSA-N 1 1 309.410 0.321 10 0 DCAEMO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358615000 416261453 /nfs/dbraw/zinc/26/14/53/416261453.db2.gz MWVKXRYPFGJMIB-GJZGRUSLSA-N 1 1 323.437 0.686 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)N(C)CCNC(=O)N(C)C)CC1 ZINC000358630922 416262239 /nfs/dbraw/zinc/26/22/39/416262239.db2.gz BIHPNKDPSSLNRC-UHFFFAOYSA-N 1 1 311.430 0.551 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000190356680 416277490 /nfs/dbraw/zinc/27/74/90/416277490.db2.gz FKPOSECGYSGQJN-QWHCGFSZSA-N 1 1 305.382 0.444 10 0 DCAEMO CCOC(=O)C1CCC(O)(C[N@@H+](C)CCCC(=O)NC)CC1 ZINC000191006730 416283848 /nfs/dbraw/zinc/28/38/48/416283848.db2.gz KYCSZARRWVIARK-UHFFFAOYSA-N 1 1 314.426 0.929 10 0 DCAEMO COCC[N@@H+](C)CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246968984 416332353 /nfs/dbraw/zinc/33/23/53/416332353.db2.gz JHRIHXNZHBEOSD-HOCLYGCPSA-N 1 1 313.442 0.901 10 0 DCAEMO CCOCCN1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1C ZINC000247392290 416332708 /nfs/dbraw/zinc/33/27/08/416332708.db2.gz XFXXIFRSCSUHEN-GFCCVEGCSA-N 1 1 300.403 0.004 10 0 DCAEMO CCOCC[N@@H+]1CCN(CCCC(=O)NC(N)=O)C[C@H]1C ZINC000247392290 416332709 /nfs/dbraw/zinc/33/27/09/416332709.db2.gz XFXXIFRSCSUHEN-GFCCVEGCSA-N 1 1 300.403 0.004 10 0 DCAEMO CCOCC[N@H+]1CCN(CCCC(=O)NC(N)=O)C[C@H]1C ZINC000247392290 416332710 /nfs/dbraw/zinc/33/27/10/416332710.db2.gz XFXXIFRSCSUHEN-GFCCVEGCSA-N 1 1 300.403 0.004 10 0 DCAEMO CC[C@@H]1CN(C[C@H](O)COCC(C)C)CC[N@H+]1C[C@H](C)O ZINC000247393863 416332728 /nfs/dbraw/zinc/33/27/28/416332728.db2.gz XLRVFCSRYREKDE-XHSDSOJGSA-N 1 1 302.459 0.797 10 0 DCAEMO CC[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)CCN1C[C@H](C)O ZINC000247393863 416332729 /nfs/dbraw/zinc/33/27/29/416332729.db2.gz XLRVFCSRYREKDE-XHSDSOJGSA-N 1 1 302.459 0.797 10 0 DCAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)CCN1C[C@H](C)O ZINC000247393863 416332730 /nfs/dbraw/zinc/33/27/30/416332730.db2.gz XLRVFCSRYREKDE-XHSDSOJGSA-N 1 1 302.459 0.797 10 0 DCAEMO C[C@H](C[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000248478972 416333697 /nfs/dbraw/zinc/33/36/97/416333697.db2.gz ZPNIYJBTACWUTQ-VXGBXAGGSA-N 1 1 324.450 0.902 10 0 DCAEMO C[C@H](C[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000248478972 416333698 /nfs/dbraw/zinc/33/36/98/416333698.db2.gz ZPNIYJBTACWUTQ-VXGBXAGGSA-N 1 1 324.450 0.902 10 0 DCAEMO CC(C)CN1CCO[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262264914 416336532 /nfs/dbraw/zinc/33/65/32/416336532.db2.gz MNLIXKHHSMVUFX-AWEZNQCLSA-N 1 1 313.442 0.215 10 0 DCAEMO CC(=O)c1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000415792454 416354283 /nfs/dbraw/zinc/35/42/83/416354283.db2.gz VPOOINBWVJZXDM-INIZCTEOSA-N 1 1 321.352 0.988 10 0 DCAEMO C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237663270 416328531 /nfs/dbraw/zinc/32/85/31/416328531.db2.gz KXVSYHROUGFFMO-UGUYLWEFSA-N 1 1 308.470 0.659 10 0 DCAEMO COCC[N@H+](CCO)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246355218 416331969 /nfs/dbraw/zinc/33/19/69/416331969.db2.gz DORFUWAHHKGUCQ-KGLIPLIRSA-N 1 1 300.399 0.097 10 0 DCAEMO COCC[N@@H+](CCO)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246355218 416331970 /nfs/dbraw/zinc/33/19/70/416331970.db2.gz DORFUWAHHKGUCQ-KGLIPLIRSA-N 1 1 300.399 0.097 10 0 DCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000434480785 416481975 /nfs/dbraw/zinc/48/19/75/416481975.db2.gz OBABUVSFZFSXKW-HUUCEWRRSA-N 1 1 313.442 0.012 10 0 DCAEMO CC1=CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458673132 416489483 /nfs/dbraw/zinc/48/94/83/416489483.db2.gz VWCMIWDUKRAYOP-MRXNPFEDSA-N 1 1 324.469 0.784 10 0 DCAEMO O=C1C[C@@]2(CN1)CCC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C2 ZINC000532716921 416450079 /nfs/dbraw/zinc/45/00/79/416450079.db2.gz VCYCNOQYDSDWGN-OFQRWUPVSA-N 1 1 312.410 0.145 10 0 DCAEMO CCn1nncc1C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000459300671 416531634 /nfs/dbraw/zinc/53/16/34/416531634.db2.gz MAPDCHLLBUHUDX-GFCCVEGCSA-N 1 1 315.443 0.592 10 0 DCAEMO CCn1nncc1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000459300671 416531635 /nfs/dbraw/zinc/53/16/35/416531635.db2.gz MAPDCHLLBUHUDX-GFCCVEGCSA-N 1 1 315.443 0.592 10 0 DCAEMO CCN1C(=O)[C@H]2C[N@H+](Cc3cnn4ccccc34)CCN2C1=O ZINC000362012345 416545676 /nfs/dbraw/zinc/54/56/76/416545676.db2.gz NTVSHZRGVURJKA-CQSZACIVSA-N 1 1 313.361 0.803 10 0 DCAEMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cnn4ccccc34)CCN2C1=O ZINC000362012345 416545681 /nfs/dbraw/zinc/54/56/81/416545681.db2.gz NTVSHZRGVURJKA-CQSZACIVSA-N 1 1 313.361 0.803 10 0 DCAEMO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H](O)CN1CCOCC1 ZINC000435133178 416511063 /nfs/dbraw/zinc/51/10/63/416511063.db2.gz PQRLZAOGNRZYST-ZDUSSCGKSA-N 1 1 320.393 0.795 10 0 DCAEMO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000545324091 416671976 /nfs/dbraw/zinc/67/19/76/416671976.db2.gz FZOCJQZVPQPYHM-JYJNAYRXSA-N 1 1 317.426 0.669 10 0 DCAEMO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CCO1 ZINC000545324091 416671985 /nfs/dbraw/zinc/67/19/85/416671985.db2.gz FZOCJQZVPQPYHM-JYJNAYRXSA-N 1 1 317.426 0.669 10 0 DCAEMO Cc1nn(C)c(CN(C)CC[N@@H+](C)CCO)c1Br ZINC000623090900 416742304 /nfs/dbraw/zinc/74/23/04/416742304.db2.gz FCFFDKUAUKACCB-UHFFFAOYSA-N 1 1 319.247 0.847 10 0 DCAEMO Cc1cccnc1-c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C ZINC000558679819 416785476 /nfs/dbraw/zinc/78/54/76/416785476.db2.gz LRQXMHZMBAMXOV-CYBMUJFWSA-N 1 1 314.393 0.706 10 0 DCAEMO Cc1cccnc1-c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C ZINC000558679819 416785481 /nfs/dbraw/zinc/78/54/81/416785481.db2.gz LRQXMHZMBAMXOV-CYBMUJFWSA-N 1 1 314.393 0.706 10 0 DCAEMO C[NH+]1CCN(C(=O)CN2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793125 /nfs/dbraw/zinc/79/31/25/416793125.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 1 1 311.426 0.030 10 0 DCAEMO CN1CCN(C(=O)C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793132 /nfs/dbraw/zinc/79/31/32/416793132.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 1 1 311.426 0.030 10 0 DCAEMO CN1CCN(C(=O)C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000369542330 416793140 /nfs/dbraw/zinc/79/31/40/416793140.db2.gz SGFIANPADCDAPI-INIZCTEOSA-N 1 1 311.426 0.030 10 0 DCAEMO CNc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC000369680994 416816595 /nfs/dbraw/zinc/81/65/95/416816595.db2.gz GTCSNUBKGSRUGN-NSHDSACASA-N 1 1 324.450 1.510 10 0 DCAEMO CNc1ncc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC000369680994 416816606 /nfs/dbraw/zinc/81/66/06/416816606.db2.gz GTCSNUBKGSRUGN-NSHDSACASA-N 1 1 324.450 1.510 10 0 DCAEMO Brc1cncnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560227919 416833921 /nfs/dbraw/zinc/83/39/21/416833921.db2.gz OZWDQQNSZPUIGO-AOOOYVTPSA-N 1 1 313.199 1.514 10 0 DCAEMO CNc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000377599323 417056815 /nfs/dbraw/zinc/05/68/15/417056815.db2.gz GTCSNUBKGSRUGN-LLVKDONJSA-N 1 1 324.450 1.510 10 0 DCAEMO CNc1ncc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000377599323 417056822 /nfs/dbraw/zinc/05/68/22/417056822.db2.gz GTCSNUBKGSRUGN-LLVKDONJSA-N 1 1 324.450 1.510 10 0 DCAEMO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000522224173 417058200 /nfs/dbraw/zinc/05/82/00/417058200.db2.gz WNFYSOFIMFPLIC-MJBXVCDLSA-N 1 1 323.455 0.298 10 0 DCAEMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000522224173 417058206 /nfs/dbraw/zinc/05/82/06/417058206.db2.gz WNFYSOFIMFPLIC-MJBXVCDLSA-N 1 1 323.455 0.298 10 0 DCAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616664414 417090434 /nfs/dbraw/zinc/09/04/34/417090434.db2.gz RSZLXYTXEATSCK-NSHDSACASA-N 1 1 311.386 0.745 10 0 DCAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](c2nnc[nH]2)C1 ZINC000616664414 417090439 /nfs/dbraw/zinc/09/04/39/417090439.db2.gz RSZLXYTXEATSCK-NSHDSACASA-N 1 1 311.386 0.745 10 0 DCAEMO C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000524797144 417120344 /nfs/dbraw/zinc/12/03/44/417120344.db2.gz ULZSYIPMAVGLIS-OAHLLOKOSA-N 1 1 305.378 0.792 10 0 DCAEMO C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(N3CCOCC3)c2)C1 ZINC000524797144 417120351 /nfs/dbraw/zinc/12/03/51/417120351.db2.gz ULZSYIPMAVGLIS-OAHLLOKOSA-N 1 1 305.378 0.792 10 0 DCAEMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992970 417132267 /nfs/dbraw/zinc/13/22/67/417132267.db2.gz KELQERNVUZDBMT-MGPQQGTHSA-N 1 1 320.455 0.536 10 0 DCAEMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992970 417132278 /nfs/dbraw/zinc/13/22/78/417132278.db2.gz KELQERNVUZDBMT-MGPQQGTHSA-N 1 1 320.455 0.536 10 0 DCAEMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccnc(OC)n2)CC12COC2 ZINC000449356215 417144874 /nfs/dbraw/zinc/14/48/74/417144874.db2.gz BANOOWKMNXUOQM-LBPRGKRZSA-N 1 1 307.350 0.497 10 0 DCAEMO 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/nfs/dbraw/zinc/06/22/30/277062230.db2.gz OOQXAAWLIBSXPH-HZSPNIEDSA-N 1 1 303.472 0.921 10 0 DCAEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccco2)C1 ZINC000408233744 277156879 /nfs/dbraw/zinc/15/68/79/277156879.db2.gz XHLJQYWCLWVWNK-CHWSQXEVSA-N 1 1 305.378 0.952 10 0 DCAEMO C[N@@H+]1C[C@H]2CN(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C[C@H]2C1 ZINC000193616914 277198160 /nfs/dbraw/zinc/19/81/60/277198160.db2.gz JQDYYHFUBXLQNJ-XUWVNRHRSA-N 1 1 307.438 0.650 10 0 DCAEMO CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173936250 277258019 /nfs/dbraw/zinc/25/80/19/277258019.db2.gz SCXWNDZSXZHERL-INIZCTEOSA-N 1 1 303.406 0.953 10 0 DCAEMO COc1c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(C)nn1C ZINC000544176142 287972008 /nfs/dbraw/zinc/97/20/08/287972008.db2.gz JGDLLPWHUHIETI-NSHDSACASA-N 1 1 301.412 0.794 10 0 DCAEMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000193665856 278073184 /nfs/dbraw/zinc/07/31/84/278073184.db2.gz ZTDDOZWZFYMUSZ-RBSFLKMASA-N 1 1 311.426 0.205 10 0 DCAEMO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(CCO)CC1 ZINC000154200726 278117607 /nfs/dbraw/zinc/11/76/07/278117607.db2.gz ZYKRVXACYHFUQU-GJZGRUSLSA-N 1 1 318.483 0.636 10 0 DCAEMO C[C@@H](CN1CCOCC1)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245515980 278263741 /nfs/dbraw/zinc/26/37/41/278263741.db2.gz FHYOBYAQPASRBJ-ZWKOTPCHSA-N 1 1 324.513 0.809 10 0 DCAEMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249971475 278301657 /nfs/dbraw/zinc/30/16/57/278301657.db2.gz KLNPWTIKPJDFAD-KKUMJFAQSA-N 1 1 314.426 0.486 10 0 DCAEMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249971475 278301659 /nfs/dbraw/zinc/30/16/59/278301659.db2.gz KLNPWTIKPJDFAD-KKUMJFAQSA-N 1 1 314.426 0.486 10 0 DCAEMO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000547272954 288035477 /nfs/dbraw/zinc/03/54/77/288035477.db2.gz RKEYQEFSQIKMQQ-KBPBESRZSA-N 1 1 308.426 0.852 10 0 DCAEMO C[C@H]1CN(C(=O)NC2CCC(O)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000177297439 279794828 /nfs/dbraw/zinc/79/48/28/279794828.db2.gz KFROGPQWRKHLSA-PPWQZUPISA-N 1 1 311.426 0.652 10 0 DCAEMO CCS(=O)(=O)NCCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245529353 280020041 /nfs/dbraw/zinc/02/00/41/280020041.db2.gz WVWNLHIPZABDKI-KBPBESRZSA-N 1 1 304.456 0.943 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173264610 288231053 /nfs/dbraw/zinc/23/10/53/288231053.db2.gz LLOBKQVLBXSRKI-YIYPIFLZSA-N 1 1 319.471 0.755 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C[C@@H](C)O1 ZINC000247315658 288235344 /nfs/dbraw/zinc/23/53/44/288235344.db2.gz OHSCJCXWIQUVJW-SYQHCUMBSA-N 1 1 317.455 0.509 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCC(=O)N1CCOCC1 ZINC000175026930 288308392 /nfs/dbraw/zinc/30/83/92/288308392.db2.gz NOLCCVQRYXABAP-LSDHHAIUSA-N 1 1 323.437 0.711 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000247072771 290111716 /nfs/dbraw/zinc/11/17/16/290111716.db2.gz GPXGQVVFFSAJIJ-FZKCQIBNSA-N 1 1 311.470 0.878 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)CO1 ZINC000408234973 297058689 /nfs/dbraw/zinc/05/86/89/297058689.db2.gz ATJYRDYRAZSDIW-REWJHTLYSA-N 1 1 317.455 0.557 10 0 DCAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246877931 295107225 /nfs/dbraw/zinc/10/72/25/295107225.db2.gz ATISMYDKVDWVSL-OCCSQVGLSA-N 1 1 319.409 0.661 10 0 DCAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)C1 ZINC000246877931 295107228 /nfs/dbraw/zinc/10/72/28/295107228.db2.gz ATISMYDKVDWVSL-OCCSQVGLSA-N 1 1 319.409 0.661 10 0 DCAEMO NC(=O)[C@@]1(O)CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000368496324 303322146 /nfs/dbraw/zinc/32/21/46/303322146.db2.gz NQESJQYDSQBNQT-RHSMWYFYSA-N 1 1 323.437 0.622 10 0 DCAEMO CC(=O)Nc1nc(C)c(S(=O)(=O)N2CC[NH2+]CC2)s1 ZINC000584591055 337373451 /nfs/dbraw/zinc/37/34/51/337373451.db2.gz BNUOLMNPFVXHQR-UHFFFAOYSA-N 1 1 304.397 0.004 10 0 DCAEMO NC(=O)Cc1nc(N2CC[N@H+]3CCC[C@H]3C2)nc2ccccc21 ZINC000584637509 337379544 /nfs/dbraw/zinc/37/95/44/337379544.db2.gz UYBUJDXBERNDRQ-LBPRGKRZSA-N 1 1 311.389 0.942 10 0 DCAEMO COc1cc(C[N@@H+](C)C[C@H](O)CN2CCCC2=O)ccc1O ZINC000152965178 533787067 /nfs/dbraw/zinc/78/70/67/533787067.db2.gz IGHYITNAKBYNQM-ZDUSSCGKSA-N 1 1 308.378 0.816 10 0 DCAEMO CC(=O)NC1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000189951598 519647729 /nfs/dbraw/zinc/64/77/29/519647729.db2.gz MVWLFQHPTQILOU-UHFFFAOYSA-N 1 1 304.394 0.648 10 0 DCAEMO CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000191490335 519648903 /nfs/dbraw/zinc/64/89/03/519648903.db2.gz SQGXLBCAZUSUDQ-MRXNPFEDSA-N 1 1 301.390 0.998 10 0 DCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000245709150 519695791 /nfs/dbraw/zinc/69/57/91/519695791.db2.gz ZCCFYWBZJKPXEK-GXSJLCMTSA-N 1 1 315.395 0.386 10 0 DCAEMO CCOCC[N@@H+]1CCN(CC(=O)NCCCOC)C[C@@H]1C ZINC000105914172 519920481 /nfs/dbraw/zinc/92/04/81/519920481.db2.gz WEDAJPMDGGTZIJ-AWEZNQCLSA-N 1 1 301.431 0.182 10 0 DCAEMO CCOCC[N@H+]1CCN(CC(=O)NCCCOC)C[C@@H]1C ZINC000105914172 519920482 /nfs/dbraw/zinc/92/04/82/519920482.db2.gz WEDAJPMDGGTZIJ-AWEZNQCLSA-N 1 1 301.431 0.182 10 0 DCAEMO CC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1CCOC ZINC000119048726 523249380 /nfs/dbraw/zinc/24/93/80/523249380.db2.gz FDBWIHWJZAEKJE-ZDUSSCGKSA-N 1 1 322.409 0.307 10 0 DCAEMO CC[C@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@H+]1CCOC ZINC000119048726 523249392 /nfs/dbraw/zinc/24/93/92/523249392.db2.gz FDBWIHWJZAEKJE-ZDUSSCGKSA-N 1 1 322.409 0.307 10 0 DCAEMO C[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000157451626 523775743 /nfs/dbraw/zinc/77/57/43/523775743.db2.gz NQIHFMBYRYEELC-UHFFFAOYSA-N 1 1 302.421 0.976 10 0 DCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)[C@H]1C ZINC000249570515 524397319 /nfs/dbraw/zinc/39/73/19/524397319.db2.gz ODJSBJATTXIWFQ-WCVJEAGWSA-N 1 1 311.470 0.926 10 0 DCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)[C@H]1C ZINC000249570515 524397330 /nfs/dbraw/zinc/39/73/30/524397330.db2.gz ODJSBJATTXIWFQ-WCVJEAGWSA-N 1 1 311.470 0.926 10 0 DCAEMO C[C@H]1CN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)O1 ZINC000126904824 524642861 /nfs/dbraw/zinc/64/28/61/524642861.db2.gz DOIKGWSVCUJLLJ-KBPBESRZSA-N 1 1 305.426 0.838 10 0 DCAEMO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903306 526660307 /nfs/dbraw/zinc/66/03/07/526660307.db2.gz UMNYMIDDGFOVKO-GXTWGEPZSA-N 1 1 312.414 0.843 10 0 DCAEMO NC(=O)NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183198993 526925262 /nfs/dbraw/zinc/92/52/62/526925262.db2.gz SJRUPHOHKGNKSW-UHFFFAOYSA-N 1 1 319.287 0.734 10 0 DCAEMO OC[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)ncn2)C1 ZINC000246047923 527590354 /nfs/dbraw/zinc/59/03/54/527590354.db2.gz CCZYJZIHXPMZLC-HUUCEWRRSA-N 1 1 317.437 0.970 10 0 DCAEMO CC(C)CCOCCNC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187651981 527751074 /nfs/dbraw/zinc/75/10/74/527751074.db2.gz HOKUMAQUOSQKAD-HNNXBMFYSA-N 1 1 315.458 0.164 10 0 DCAEMO CC(C)CCOCCNC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187651981 527751079 /nfs/dbraw/zinc/75/10/79/527751079.db2.gz HOKUMAQUOSQKAD-HNNXBMFYSA-N 1 1 315.458 0.164 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCOCCOC)[C@H](C)C1 ZINC000178722317 527758661 /nfs/dbraw/zinc/75/86/61/527758661.db2.gz MWBGAGWNZRATQR-ZIAGYGMSSA-N 1 1 322.471 0.641 10 0 DCAEMO CC(C)n1nnnc1C[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000328604342 528701875 /nfs/dbraw/zinc/70/18/75/528701875.db2.gz JKZPXDWQNWHYTC-QWHCGFSZSA-N 1 1 320.401 0.611 10 0 DCAEMO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCC2=O)C[N@H+]1C1CC1 ZINC000176484561 545887667 /nfs/dbraw/zinc/88/76/67/545887667.db2.gz ZUMOVZQNKZNMPS-CHWSQXEVSA-N 1 1 308.426 0.923 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)c2cnc3n(c2=O)CCS3)C1 ZINC000193685330 545931471 /nfs/dbraw/zinc/93/14/71/545931471.db2.gz QCKRECSRSUVTJY-JTQLQIEISA-N 1 1 308.407 0.563 10 0 DCAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000248656049 545969173 /nfs/dbraw/zinc/96/91/73/545969173.db2.gz QZPJZTDEILLHQT-OLZOCXBDSA-N 1 1 308.444 0.178 10 0 DCAEMO CC(=O)c1nccn1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000281281761 545997831 /nfs/dbraw/zinc/99/78/31/545997831.db2.gz XDVWJZFGNWRJGX-CQSZACIVSA-N 1 1 322.409 0.559 10 0 DCAEMO CC(=O)c1nccn1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000281281761 545997836 /nfs/dbraw/zinc/99/78/36/545997836.db2.gz XDVWJZFGNWRJGX-CQSZACIVSA-N 1 1 322.409 0.559 10 0 DCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332963494 546067708 /nfs/dbraw/zinc/06/77/08/546067708.db2.gz OZYKTMRTBWCGHX-INMHGKMJSA-N 1 1 324.469 0.569 10 0 DCAEMO COc1c(C[N@@H+]2C[C@@H](OC)[C@H](c3c[nH]nn3)C2)c(C)nn1C ZINC000668576553 546789479 /nfs/dbraw/zinc/78/94/79/546789479.db2.gz MYEWYGVVEDIEOU-WCQYABFASA-N 1 1 306.370 0.470 10 0 DCAEMO C[N@@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H](O)C1CC1 ZINC000674313765 547580935 /nfs/dbraw/zinc/58/09/35/547580935.db2.gz MSJRQFGXYNIPIN-SWLSCSKDSA-N 1 1 318.373 0.346 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@H]1C(C)C ZINC000888094556 661161790 /nfs/dbraw/zinc/16/17/90/661161790.db2.gz BHIHVMKQNKLBSL-CZPYZCIJSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@H]1C(C)C ZINC000888094556 661161792 /nfs/dbraw/zinc/16/17/92/661161792.db2.gz BHIHVMKQNKLBSL-CZPYZCIJSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@H]1C(C)C ZINC000888094556 661161793 /nfs/dbraw/zinc/16/17/93/661161793.db2.gz BHIHVMKQNKLBSL-CZPYZCIJSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@@H]1C(C)C ZINC000888094557 661161800 /nfs/dbraw/zinc/16/18/00/661161800.db2.gz BHIHVMKQNKLBSL-MPTQWLOMSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@@H]1C(C)C ZINC000888094557 661161801 /nfs/dbraw/zinc/16/18/01/661161801.db2.gz BHIHVMKQNKLBSL-MPTQWLOMSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@@H]1C(C)C ZINC000888094557 661161802 /nfs/dbraw/zinc/16/18/02/661161802.db2.gz BHIHVMKQNKLBSL-MPTQWLOMSA-N 1 1 321.425 0.333 10 0 DCAEMO O=C(NCCC[NH+]1CCN(c2cccnn2)CC1)C(F)(F)F ZINC000180605028 665446827 /nfs/dbraw/zinc/44/68/27/665446827.db2.gz WWVYLCSGIFURPF-UHFFFAOYSA-N 1 1 317.315 0.667 10 0 DCAEMO CCN(CCS(C)(=O)=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000123241225 667750912 /nfs/dbraw/zinc/75/09/12/667750912.db2.gz YOUYRSQBZYOXBI-QWHCGFSZSA-N 1 1 319.471 0.791 10 0 DCAEMO C[N@@H+]1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H]1CO ZINC000724046383 657918484 /nfs/dbraw/zinc/91/84/84/657918484.db2.gz CKERKODTGWSQJP-DTWKUNHWSA-N 1 1 306.275 0.543 10 0 DCAEMO C[N@H+]1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@H]1CO ZINC000724046383 657918489 /nfs/dbraw/zinc/91/84/89/657918489.db2.gz CKERKODTGWSQJP-DTWKUNHWSA-N 1 1 306.275 0.543 10 0 DCAEMO CC[NH+]1CCN(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000254976565 658003423 /nfs/dbraw/zinc/00/34/23/658003423.db2.gz BGBBNQXTIGJGOD-ZDUSSCGKSA-N 1 1 305.426 0.852 10 0 DCAEMO Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCc2cccnc2)C1 ZINC000888077745 658721202 /nfs/dbraw/zinc/72/12/02/658721202.db2.gz SBIQBEYNZQNFJQ-MRXNPFEDSA-N 1 1 301.394 0.822 10 0 DCAEMO CCS(=O)(=O)CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000069692641 665650908 /nfs/dbraw/zinc/65/09/08/665650908.db2.gz FLHGPMBMMZTECN-LBPRGKRZSA-N 1 1 307.460 0.697 10 0 DCAEMO C[N@@H+](C[C@@H](O)Cn1cncc(Br)c1=O)C1CC1 ZINC000310385337 659330204 /nfs/dbraw/zinc/33/02/04/659330204.db2.gz CHBUFTCQLIZVOC-SECBINFHSA-N 1 1 302.172 0.461 10 0 DCAEMO CN(C)CCN(C1CCCC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000722221267 659382029 /nfs/dbraw/zinc/38/20/29/659382029.db2.gz YZSWZSQAYLWELD-CQSZACIVSA-N 1 1 303.472 0.874 10 0 DCAEMO CC(C)N1CCO[C@@H](CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090601 662054683 /nfs/dbraw/zinc/05/46/83/662054683.db2.gz UTJIZNJLMFRHBQ-ZWKOTPCHSA-N 1 1 324.513 0.713 10 0 DCAEMO CN1CC[N@@H+](CC2CC(NC(=O)OC(C)(C)C)C2)[C@@H](CO)C1 ZINC000895479652 662188295 /nfs/dbraw/zinc/18/82/95/662188295.db2.gz JQBNUESLPPEGLI-JXQTWKCFSA-N 1 1 313.442 0.898 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccn2nnnc12 ZINC000896844187 662328294 /nfs/dbraw/zinc/32/82/94/662328294.db2.gz LKEYSJKMQFJMDH-LBPRGKRZSA-N 1 1 311.349 0.934 10 0 DCAEMO C#CCNC(=O)C[NH+](CC(=O)NCC#C)[C@@H]1CCCC[C@H]1C ZINC000031468262 663583256 /nfs/dbraw/zinc/58/32/56/663583256.db2.gz BQFSNXDKKSRJAW-HUUCEWRRSA-N 1 1 303.406 0.366 10 0 DCAEMO CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000908061249 663729955 /nfs/dbraw/zinc/72/99/55/663729955.db2.gz ZOUIPJPVNJPOBT-CQSZACIVSA-N 1 1 324.469 0.576 10 0 DCAEMO CN1C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]21 ZINC000908108661 663734171 /nfs/dbraw/zinc/73/41/71/663734171.db2.gz HNUALEYHVCJSKH-CRWXNKLISA-N 1 1 306.410 0.628 10 0 DCAEMO O=C(N[C@H]1CCc2ncsc2C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000910846894 663944320 /nfs/dbraw/zinc/94/43/20/663944320.db2.gz PXIDOLFDERAIQX-DMDPSCGWSA-N 1 1 307.419 0.980 10 0 DCAEMO 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ZINC000136064378 158341799 /nfs/dbraw/zinc/34/17/99/158341799.db2.gz JAUDHYZGMRNFBO-MRXNPFEDSA-N 1 1 310.486 0.957 10 0 DCAEMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000171088541 158379208 /nfs/dbraw/zinc/37/92/08/158379208.db2.gz DEOLVLQNERYTKV-NEPJUHHUSA-N 1 1 322.409 0.450 10 0 DCAEMO CCOC(=O)C1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171643369 158385732 /nfs/dbraw/zinc/38/57/32/158385732.db2.gz GDPPLSLEAYGLGS-OAHLLOKOSA-N 1 1 323.437 0.568 10 0 DCAEMO C[NH2+][C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1cnn(C)c1 ZINC000262018017 158764603 /nfs/dbraw/zinc/76/46/03/158764603.db2.gz COZXUMUQXMEZGP-DOMZBBRYSA-N 1 1 316.361 0.637 10 0 DCAEMO Cc1cc(C)n2nc(CC(=O)N3CC[N@H+]4CCC[C@@H]4C3)nc2n1 ZINC000328683009 159020901 /nfs/dbraw/zinc/02/09/01/159020901.db2.gz VZINWHNVDAKYGX-CYBMUJFWSA-N 1 1 314.393 0.590 10 0 DCAEMO CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000328723031 159024195 /nfs/dbraw/zinc/02/41/95/159024195.db2.gz XUUZHSYLLBPTFN-LBPRGKRZSA-N 1 1 306.414 0.721 10 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CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000547768585 288077146 /nfs/dbraw/zinc/07/71/46/288077146.db2.gz BNVGORKAOLZGKV-MLGOLLRUSA-N 1 1 311.426 0.613 10 0 DCAEMO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000079036761 279128231 /nfs/dbraw/zinc/12/82/31/279128231.db2.gz PRALJJLLOCGVQJ-VXGBXAGGSA-N 1 1 305.444 0.449 10 0 DCAEMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000249097035 279239390 /nfs/dbraw/zinc/23/93/90/279239390.db2.gz OUBTVHFKFLIASL-HOTGVXAUSA-N 1 1 300.443 0.553 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000175399046 279327945 /nfs/dbraw/zinc/32/79/45/279327945.db2.gz GUDMSXLPVPSSGI-MJBXVCDLSA-N 1 1 319.471 0.757 10 0 DCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000332927161 288129138 /nfs/dbraw/zinc/12/91/38/288129138.db2.gz JJYFSOBZBGOZPT-WFFHOREQSA-N 1 1 310.398 0.803 10 0 DCAEMO C[C@@H]1CN(C(=O)c2cccc3ncnn32)CC[N@H+]1CC(C)(C)O ZINC000548712536 288169616 /nfs/dbraw/zinc/16/96/16/288169616.db2.gz MOSXMRWLAKZWBR-GFCCVEGCSA-N 1 1 317.393 0.647 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000181799279 280204847 /nfs/dbraw/zinc/20/48/47/280204847.db2.gz DYHCUNIJPLMPGH-GXTWGEPZSA-N 1 1 323.441 0.888 10 0 DCAEMO O=C1[C@H]([N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1C1CCOCC1 ZINC000328669817 280323155 /nfs/dbraw/zinc/32/31/55/280323155.db2.gz MGDKNHAUTLRYOD-TZMCWYRMSA-N 1 1 319.409 0.764 10 0 DCAEMO CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000555149733 288344961 /nfs/dbraw/zinc/34/49/61/288344961.db2.gz QAEIPIXLHPGEFA-OLZOCXBDSA-N 1 1 307.398 0.323 10 0 DCAEMO CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000555149733 288344964 /nfs/dbraw/zinc/34/49/64/288344964.db2.gz QAEIPIXLHPGEFA-OLZOCXBDSA-N 1 1 307.398 0.323 10 0 DCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000555073514 288343548 /nfs/dbraw/zinc/34/35/48/288343548.db2.gz OFZFOLXGDSDXRQ-PWSUYJOCSA-N 1 1 319.352 0.379 10 0 DCAEMO 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/nfs/dbraw/zinc/03/88/69/333038869.db2.gz DFXGGWHCFUKJOR-VXGBXAGGSA-N 1 1 317.393 0.875 10 0 DCAEMO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000189987427 336258411 /nfs/dbraw/zinc/25/84/11/336258411.db2.gz UKGAHKDEDRSSAE-MGPQQGTHSA-N 1 1 320.455 0.440 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC000189987427 336258412 /nfs/dbraw/zinc/25/84/12/336258412.db2.gz UKGAHKDEDRSSAE-MGPQQGTHSA-N 1 1 320.455 0.440 10 0 DCAEMO COc1cc(C[N@@H+](C)C[C@@H](O)CN2CCCC2=O)ccc1O ZINC000152965280 533785142 /nfs/dbraw/zinc/78/51/42/533785142.db2.gz IGHYITNAKBYNQM-CYBMUJFWSA-N 1 1 308.378 0.816 10 0 DCAEMO CCOCC[N@H+]1CCN(C(=O)CN2CCCC2=O)C[C@H]1CC ZINC000116770955 519913619 /nfs/dbraw/zinc/91/36/19/519913619.db2.gz WFUIGOYRHJBYEY-CQSZACIVSA-N 1 1 311.426 0.568 10 0 DCAEMO CCCS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158230977 520527381 /nfs/dbraw/zinc/52/73/81/520527381.db2.gz FNJKNPIIYSDYEF-YIONKMFJSA-N 1 1 315.483 0.969 10 0 DCAEMO CC[C@H]1CN(C(=O)CCc2ccncn2)CC[N@H+]1CCOC ZINC000191253304 523220775 /nfs/dbraw/zinc/22/07/75/523220775.db2.gz MVKYMCRQQQKLDR-HNNXBMFYSA-N 1 1 306.410 0.978 10 0 DCAEMO CN1C(=O)C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C)[C@H]1c1cccnc1 ZINC000129213729 523826032 /nfs/dbraw/zinc/82/60/32/523826032.db2.gz LIHIWAPFXXNJTJ-IIAWOOMASA-N 1 1 316.405 0.811 10 0 DCAEMO COCCN1CC[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000105902940 523853393 /nfs/dbraw/zinc/85/33/93/523853393.db2.gz SUWWKNUFTYEDNF-GJZGRUSLSA-N 1 1 312.410 0.810 10 0 DCAEMO COCC[N@@H+]1CCN(C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000105902940 523853399 /nfs/dbraw/zinc/85/33/99/523853399.db2.gz SUWWKNUFTYEDNF-GJZGRUSLSA-N 1 1 312.410 0.810 10 0 DCAEMO COCC[N@H+]1CCN(C[C@H](O)COCc2ccco2)C[C@@H]1C ZINC000105902940 523853404 /nfs/dbraw/zinc/85/34/04/523853404.db2.gz SUWWKNUFTYEDNF-GJZGRUSLSA-N 1 1 312.410 0.810 10 0 DCAEMO COCCO[C@H]1CC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000189743890 524036968 /nfs/dbraw/zinc/03/69/68/524036968.db2.gz MSTXXKOKRHGXNC-KBPBESRZSA-N 1 1 322.409 0.571 10 0 DCAEMO COCCO[C@H]1CC[N@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000189743890 524036972 /nfs/dbraw/zinc/03/69/72/524036972.db2.gz MSTXXKOKRHGXNC-KBPBESRZSA-N 1 1 322.409 0.571 10 0 DCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)[C@H]1C ZINC000249570512 524397286 /nfs/dbraw/zinc/39/72/86/524397286.db2.gz ODJSBJATTXIWFQ-UGUYLWEFSA-N 1 1 311.470 0.926 10 0 DCAEMO C[C@@H]1CCC[C@H](NC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)[C@H]1C ZINC000249570512 524397292 /nfs/dbraw/zinc/39/72/92/524397292.db2.gz ODJSBJATTXIWFQ-UGUYLWEFSA-N 1 1 311.470 0.926 10 0 DCAEMO C[C@@H](CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)CS(C)(=O)=O ZINC000249389210 524620456 /nfs/dbraw/zinc/62/04/56/524620456.db2.gz QKWRSALQOUSORW-QWHCGFSZSA-N 1 1 306.472 0.444 10 0 DCAEMO C[C@@H](CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CS(C)(=O)=O ZINC000249389210 524620466 /nfs/dbraw/zinc/62/04/66/524620466.db2.gz QKWRSALQOUSORW-QWHCGFSZSA-N 1 1 306.472 0.444 10 0 DCAEMO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636367 525595541 /nfs/dbraw/zinc/59/55/41/525595541.db2.gz YNURHMNVNTXFMR-SWLSCSKDSA-N 1 1 319.405 0.435 10 0 DCAEMO O=C(C[N@@H+]1CC[C@H](CO)C1)NCCN1CCc2ccccc21 ZINC000157447292 526805459 /nfs/dbraw/zinc/80/54/59/526805459.db2.gz VIBAFOXSBPVIQY-AWEZNQCLSA-N 1 1 303.406 0.480 10 0 DCAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC000162351583 527427195 /nfs/dbraw/zinc/42/71/95/527427195.db2.gz PATODZCNIWDFBH-UHFFFAOYSA-N 1 1 315.377 0.942 10 0 DCAEMO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000188700040 527597029 /nfs/dbraw/zinc/59/70/29/527597029.db2.gz BHURHTUWSORBND-UHFFFAOYSA-N 1 1 314.393 0.834 10 0 DCAEMO CCOCC[N@H+]1CCN(c2cncc(C(N)=O)n2)C[C@@H]1CC ZINC000176922373 528755492 /nfs/dbraw/zinc/75/54/92/528755492.db2.gz QQHAJMYXTBJSFH-LBPRGKRZSA-N 1 1 307.398 0.513 10 0 DCAEMO CNC(=O)c1ccc(C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)cc1 ZINC000285551130 536423343 /nfs/dbraw/zinc/42/33/43/536423343.db2.gz QRYHJIXJYGVLAJ-HNNXBMFYSA-N 1 1 301.350 0.258 10 0 DCAEMO CNC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(c3c[nH]nn3)C2)cc1 ZINC000285551130 536423345 /nfs/dbraw/zinc/42/33/45/536423345.db2.gz QRYHJIXJYGVLAJ-HNNXBMFYSA-N 1 1 301.350 0.258 10 0 DCAEMO CNC(=O)c1ccc(C[N@H+]2CC[C@@](O)(c3c[nH]nn3)C2)cc1 ZINC000285551130 536423346 /nfs/dbraw/zinc/42/33/46/536423346.db2.gz QRYHJIXJYGVLAJ-HNNXBMFYSA-N 1 1 301.350 0.258 10 0 DCAEMO CCN(CC)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262115676 545979488 /nfs/dbraw/zinc/97/94/88/545979488.db2.gz FPUWOYUNIQUAGQ-XHSDSOJGSA-N 1 1 305.422 0.766 10 0 DCAEMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@H]21 ZINC000332966702 546067330 /nfs/dbraw/zinc/06/73/30/546067330.db2.gz UZZMMVZNODUWFF-BARDWOONSA-N 1 1 321.421 0.509 10 0 DCAEMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@H]21 ZINC000332966702 546067336 /nfs/dbraw/zinc/06/73/36/546067336.db2.gz UZZMMVZNODUWFF-BARDWOONSA-N 1 1 321.421 0.509 10 0 DCAEMO 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/nfs/dbraw/zinc/60/35/10/661603510.db2.gz RECCKFLLFDDCNM-OLZOCXBDSA-N 1 1 302.382 0.581 10 0 DCAEMO COc1ccc(OC)c2c1CN(Cc1noc(C[NH3+])n1)C[C@@H]2O ZINC000261776179 661641719 /nfs/dbraw/zinc/64/17/19/661641719.db2.gz PEVVZIGRFFIMJR-JTQLQIEISA-N 1 1 320.349 0.595 10 0 DCAEMO COc1ccc(OC)c2c1CN(Cc1noc(C[NH3+])n1)C[C@H]2O ZINC000261776183 661641923 /nfs/dbraw/zinc/64/19/23/661641923.db2.gz PEVVZIGRFFIMJR-SNVBAGLBSA-N 1 1 320.349 0.595 10 0 DCAEMO CN1CCC[C@H]1c1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[nH]n1 ZINC000896415607 662269799 /nfs/dbraw/zinc/26/97/99/662269799.db2.gz MHERLZBWVYEJHO-WFASDCNBSA-N 1 1 321.425 0.579 10 0 DCAEMO O=C(NCC1(C[NH+]2CCOCC2)CCOCC1)[C@H]1CCCO1 ZINC000223625353 664418104 /nfs/dbraw/zinc/41/81/04/664418104.db2.gz WMTYMOKBMGUUCV-CQSZACIVSA-N 1 1 312.410 0.411 10 0 DCAEMO CC(C)CN1C(=O)C(=O)N(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)C1=O ZINC000153249164 664806022 /nfs/dbraw/zinc/80/60/22/664806022.db2.gz KGWLILRBTLCJMW-CHWSQXEVSA-N 1 1 322.409 0.559 10 0 DCAEMO 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ZINC000179406000 199030426 /nfs/dbraw/zinc/03/04/26/199030426.db2.gz WDRAFQAWWACNHK-ZIAGYGMSSA-N 1 1 307.394 0.764 10 0 DCAEMO CCc1n[nH]c(=O)c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1CC ZINC000187303440 200092033 /nfs/dbraw/zinc/09/20/33/200092033.db2.gz BKSQNRYQOTZZEM-LLVKDONJSA-N 1 1 322.409 0.033 10 0 DCAEMO CCc1n[nH]c(=O)c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1CC ZINC000187303440 200092035 /nfs/dbraw/zinc/09/20/35/200092035.db2.gz BKSQNRYQOTZZEM-LLVKDONJSA-N 1 1 322.409 0.033 10 0 DCAEMO C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1CCO ZINC000188769523 237379987 /nfs/dbraw/zinc/37/99/87/237379987.db2.gz HNXDFORDHVOVEY-LBPRGKRZSA-N 1 1 319.405 0.392 10 0 DCAEMO C[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@H+]1CCO ZINC000188769523 237379990 /nfs/dbraw/zinc/37/99/90/237379990.db2.gz HNXDFORDHVOVEY-LBPRGKRZSA-N 1 1 319.405 0.392 10 0 DCAEMO C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CC[N@@H+]1CCO ZINC000189004698 237387159 /nfs/dbraw/zinc/38/71/59/237387159.db2.gz SEQCRTOYIXJXQK-JTQLQIEISA-N 1 1 317.340 0.679 10 0 DCAEMO C[C@H]1CN(C(=O)Nc2cnn(CC(F)F)c2)CC[N@H+]1CCO ZINC000189004698 237387168 /nfs/dbraw/zinc/38/71/68/237387168.db2.gz SEQCRTOYIXJXQK-JTQLQIEISA-N 1 1 317.340 0.679 10 0 DCAEMO Cc1nc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(=O)[nH]c1C ZINC000155873016 291222538 /nfs/dbraw/zinc/22/25/38/291222538.db2.gz UPGLHAQGGJEXOC-LLVKDONJSA-N 1 1 321.425 0.000 10 0 DCAEMO COCCN1C[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1=O ZINC000159077522 291233506 /nfs/dbraw/zinc/23/35/06/291233506.db2.gz LZUNBIPKXPUMEJ-MCIONIFRSA-N 1 1 311.426 0.326 10 0 DCAEMO C[C@@H](NC(=O)CN1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCCCC1 ZINC000247209750 296048356 /nfs/dbraw/zinc/04/83/56/296048356.db2.gz PQSLGFUHQRGTNW-CABCVRRESA-N 1 1 322.453 0.284 10 0 DCAEMO Cn1c(-c2cccnc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000566808328 291324382 /nfs/dbraw/zinc/32/43/82/291324382.db2.gz DUYLTBICFIGNJZ-ZDUSSCGKSA-N 1 1 300.366 0.398 10 0 DCAEMO Cn1c(-c2cccnc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000566808328 291324385 /nfs/dbraw/zinc/32/43/85/291324385.db2.gz DUYLTBICFIGNJZ-ZDUSSCGKSA-N 1 1 300.366 0.398 10 0 DCAEMO CC[C@@H](NC(=O)C1CC[NH+](CC(N)=O)CC1)c1nc(C)c[nH]1 ZINC000091931702 193127926 /nfs/dbraw/zinc/12/79/26/193127926.db2.gz HEFFWJOYYSHSFR-GFCCVEGCSA-N 1 1 307.398 0.483 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105215144 194084996 /nfs/dbraw/zinc/08/49/96/194084996.db2.gz SOGUVEXYIGPEQE-GXTWGEPZSA-N 1 1 309.414 0.457 10 0 DCAEMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799466 194132313 /nfs/dbraw/zinc/13/23/13/194132313.db2.gz MRAGDWXYKAJMLF-CQSZACIVSA-N 1 1 321.425 0.530 10 0 DCAEMO COCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105799466 194132315 /nfs/dbraw/zinc/13/23/15/194132315.db2.gz MRAGDWXYKAJMLF-CQSZACIVSA-N 1 1 321.425 0.530 10 0 DCAEMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804486 194134135 /nfs/dbraw/zinc/13/41/35/194134135.db2.gz OQQVWQREDWVFKN-SNVBAGLBSA-N 1 1 306.370 0.197 10 0 DCAEMO 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ZINC000181710624 396241507 /nfs/dbraw/zinc/24/15/07/396241507.db2.gz ZXEPYHARXCOHFE-UKRRQHHQSA-N 1 1 312.458 0.567 10 0 DCAEMO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)N1CCOCC1 ZINC000182330634 396250037 /nfs/dbraw/zinc/25/00/37/396250037.db2.gz BRGSSOHJAMFKBA-OAGGEKHMSA-N 1 1 324.469 0.833 10 0 DCAEMO COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179179914 396223349 /nfs/dbraw/zinc/22/33/49/396223349.db2.gz BJCADIALTXJTGD-KGLIPLIRSA-N 1 1 308.378 0.081 10 0 DCAEMO COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179179914 396223352 /nfs/dbraw/zinc/22/33/52/396223352.db2.gz BJCADIALTXJTGD-KGLIPLIRSA-N 1 1 308.378 0.081 10 0 DCAEMO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1nccs1 ZINC000185085112 396316849 /nfs/dbraw/zinc/31/68/49/396316849.db2.gz OSOISZVELSGCNM-GHMZBOCLSA-N 1 1 310.423 0.908 10 0 DCAEMO O=C(CCCCc1cn[nH]n1)NCCCC[NH+]1CCOCC1 ZINC000184662501 396301416 /nfs/dbraw/zinc/30/14/16/396301416.db2.gz NSKMUVNDXWFWOC-UHFFFAOYSA-N 1 1 309.414 0.746 10 0 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/nfs/dbraw/zinc/07/24/83/333072483.db2.gz GJUCCKQXZZPKNT-LLVKDONJSA-N 1 1 304.354 0.260 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)CC[N@H+]1CCO ZINC000189318058 333072485 /nfs/dbraw/zinc/07/24/85/333072485.db2.gz GJUCCKQXZZPKNT-LLVKDONJSA-N 1 1 304.354 0.260 10 0 DCAEMO COc1ccccc1NCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187301362 534185287 /nfs/dbraw/zinc/18/52/87/534185287.db2.gz IOMYONQMVOGOCU-ZDUSSCGKSA-N 1 1 307.394 0.632 10 0 DCAEMO COc1ccccc1NCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187301362 534185291 /nfs/dbraw/zinc/18/52/91/534185291.db2.gz IOMYONQMVOGOCU-ZDUSSCGKSA-N 1 1 307.394 0.632 10 0 DCAEMO CCOCCCNC(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105823587 519892931 /nfs/dbraw/zinc/89/29/31/519892931.db2.gz NTNLKPZWPNGRJN-KFWWJZLASA-N 1 1 315.458 0.305 10 0 DCAEMO CCOc1ccnc(N2CC[NH+](C[C@@H](O)CSC)CC2)n1 ZINC000187881653 521597140 /nfs/dbraw/zinc/59/71/40/521597140.db2.gz KLKGNIRDXDBGGM-GFCCVEGCSA-N 1 1 312.439 0.721 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 ZINC000131260512 522555008 /nfs/dbraw/zinc/55/50/08/522555008.db2.gz WSBLZXXGFOLFLY-AWEZNQCLSA-N 1 1 320.393 0.706 10 0 DCAEMO COC(=O)CC[N@@H+]1CCN(C(=O)CCc2ccnn2C)[C@@H](C)C1 ZINC000131359211 523076863 /nfs/dbraw/zinc/07/68/63/523076863.db2.gz CASWEVUNZXFAEP-ZDUSSCGKSA-N 1 1 322.409 0.449 10 0 DCAEMO COC(=O)CC[N@H+]1CCN(C(=O)CCc2ccnn2C)[C@@H](C)C1 ZINC000131359211 523076869 /nfs/dbraw/zinc/07/68/69/523076869.db2.gz CASWEVUNZXFAEP-ZDUSSCGKSA-N 1 1 322.409 0.449 10 0 DCAEMO COC(=O)Cn1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000124284263 523409357 /nfs/dbraw/zinc/40/93/57/523409357.db2.gz IYKRHYZDOOONQK-NEPJUHHUSA-N 1 1 323.397 0.906 10 0 DCAEMO CO[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000365090427 523698474 /nfs/dbraw/zinc/69/84/74/523698474.db2.gz RADPFIWAZDDWED-BZUAXINKSA-N 1 1 324.469 0.975 10 0 DCAEMO COCC[N@@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C ZINC000117296442 523841766 /nfs/dbraw/zinc/84/17/66/523841766.db2.gz ONAVYOBNAZCMPN-CYBMUJFWSA-N 1 1 313.442 0.718 10 0 DCAEMO COCC[N@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C ZINC000117296442 523841772 /nfs/dbraw/zinc/84/17/72/523841772.db2.gz ONAVYOBNAZCMPN-CYBMUJFWSA-N 1 1 313.442 0.718 10 0 DCAEMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000131869249 523897458 /nfs/dbraw/zinc/89/74/58/523897458.db2.gz HPWUKUKBEUAERT-CYBMUJFWSA-N 1 1 305.426 0.583 10 0 DCAEMO COc1ccc(CNC(=O)C[N@@H+](C)C2(CO)CCOCC2)cc1 ZINC000191026147 524049571 /nfs/dbraw/zinc/04/95/71/524049571.db2.gz UPGGTORDSPKWSC-UHFFFAOYSA-N 1 1 322.405 0.785 10 0 DCAEMO COc1ccc(O)cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249158631 524778269 /nfs/dbraw/zinc/77/82/69/524778269.db2.gz XUMQCSRMRXTRNJ-NEPJUHHUSA-N 1 1 308.378 0.928 10 0 DCAEMO COc1ccc(O)cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249158631 524778277 /nfs/dbraw/zinc/77/82/77/524778277.db2.gz XUMQCSRMRXTRNJ-NEPJUHHUSA-N 1 1 308.378 0.928 10 0 DCAEMO 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ZINC000081305415 396297680 /nfs/dbraw/zinc/29/76/80/396297680.db2.gz CZURYSCNIGDOGY-CQSZACIVSA-N 1 1 311.426 0.424 10 0 DCAEMO CCN(CC)C(=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081305415 396297683 /nfs/dbraw/zinc/29/76/83/396297683.db2.gz CZURYSCNIGDOGY-CQSZACIVSA-N 1 1 311.426 0.424 10 0 DCAEMO O=C(C[N@H+]1CCCN(C[C@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000185178934 396320351 /nfs/dbraw/zinc/32/03/51/396320351.db2.gz VGBSPBABYSNRHF-LBPRGKRZSA-N 1 1 323.359 0.540 10 0 DCAEMO O=C(C[N@@H+]1CCCN(C[C@H](O)C(F)(F)F)CC1)N1CCCC1 ZINC000185178934 396320354 /nfs/dbraw/zinc/32/03/54/396320354.db2.gz VGBSPBABYSNRHF-LBPRGKRZSA-N 1 1 323.359 0.540 10 0 DCAEMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184733041 396303964 /nfs/dbraw/zinc/30/39/64/396303964.db2.gz XMVIRPYZKWLMNZ-NUEKZKHPSA-N 1 1 306.406 0.769 10 0 DCAEMO CC[C@@H]1CN(C(=O)NCCCCOC)CC[N@H+]1C[C@@H](C)O ZINC000184842920 396308695 /nfs/dbraw/zinc/30/86/95/396308695.db2.gz MXZFNDGHGBUECJ-ZIAGYGMSSA-N 1 1 301.431 0.900 10 0 DCAEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185203447 396321652 /nfs/dbraw/zinc/32/16/52/396321652.db2.gz ZWVFOFAFMJWLSN-TXEJJXNPSA-N 1 1 307.398 0.479 10 0 DCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cn(CC2(C)COC2)nn1 ZINC000185203447 396321654 /nfs/dbraw/zinc/32/16/54/396321654.db2.gz ZWVFOFAFMJWLSN-TXEJJXNPSA-N 1 1 307.398 0.479 10 0 DCAEMO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@@]2(C)C(N)=O)C1=O ZINC000185910538 396336970 /nfs/dbraw/zinc/33/69/70/396336970.db2.gz YQFQEVMPXODLPN-HNNXBMFYSA-N 1 1 310.398 0.437 10 0 DCAEMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCn1ccnn1 ZINC000186635805 396354218 /nfs/dbraw/zinc/35/42/18/396354218.db2.gz NKBWCGRWEZPRDW-ZDUSSCGKSA-N 1 1 324.429 0.155 10 0 DCAEMO COCc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000186662014 396354943 /nfs/dbraw/zinc/35/49/43/396354943.db2.gz YQVDHRXAOAQJOI-GFCCVEGCSA-N 1 1 321.377 0.462 10 0 DCAEMO COc1ccc(O)c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000285907666 396361115 /nfs/dbraw/zinc/36/11/15/396361115.db2.gz TWLUHKCIMHISJQ-ZFWWWQNUSA-N 1 1 306.362 0.946 10 0 DCAEMO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCC[N@@H+](CC)CCO ZINC000187357500 396368075 /nfs/dbraw/zinc/36/80/75/396368075.db2.gz OWZOEINEJCDXBA-GFCCVEGCSA-N 1 1 324.429 0.289 10 0 DCAEMO C[C@@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)CC[N@@H+]1CCO ZINC000187676092 396372338 /nfs/dbraw/zinc/37/23/38/396372338.db2.gz PJSLVXQGPDLGQO-CZUORRHYSA-N 1 1 321.396 0.929 10 0 DCAEMO C[C@@H]1CN([C@@H]2CCN(c3ccccc3F)C2=O)CC[N@H+]1CCO ZINC000187676092 396372339 /nfs/dbraw/zinc/37/23/39/396372339.db2.gz PJSLVXQGPDLGQO-CZUORRHYSA-N 1 1 321.396 0.929 10 0 DCAEMO C[C@H]1CN(Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1CCO ZINC000190244195 396403465 /nfs/dbraw/zinc/40/34/65/396403465.db2.gz PHFPJXSSKJKZII-AWEZNQCLSA-N 1 1 315.421 0.981 10 0 DCAEMO CO[C@@H](C)[C@H](C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000190677697 396410524 /nfs/dbraw/zinc/41/05/24/396410524.db2.gz BJZJBGBVOSKQDL-STQMWFEESA-N 1 1 301.431 0.898 10 0 DCAEMO COC(=O)c1cccc(OCC[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000371828263 396477826 /nfs/dbraw/zinc/47/78/26/396477826.db2.gz GEBPKVGKRFKYLC-OAHLLOKOSA-N 1 1 320.389 0.868 10 0 DCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000373913310 396623337 /nfs/dbraw/zinc/62/33/37/396623337.db2.gz UGKQMZRYZOKHGP-AGIUHOORSA-N 1 1 317.455 0.352 10 0 DCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000373913310 396623341 /nfs/dbraw/zinc/62/33/41/396623341.db2.gz UGKQMZRYZOKHGP-AGIUHOORSA-N 1 1 317.455 0.352 10 0 DCAEMO COC[C@@H](O)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000374641630 396677682 /nfs/dbraw/zinc/67/76/82/396677682.db2.gz OHIWVMPHWWVIET-VNQPRFMTSA-N 1 1 321.421 0.813 10 0 DCAEMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000374925805 396698880 /nfs/dbraw/zinc/69/88/80/396698880.db2.gz DHNKEYMOXPNMNV-GFCCVEGCSA-N 1 1 312.391 0.711 10 0 DCAEMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000374925805 396698882 /nfs/dbraw/zinc/69/88/82/396698882.db2.gz DHNKEYMOXPNMNV-GFCCVEGCSA-N 1 1 312.391 0.711 10 0 DCAEMO CC(=O)N1CSC[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375294552 396724631 /nfs/dbraw/zinc/72/46/31/396724631.db2.gz WKEHEUGUTPEAJM-LBPRGKRZSA-N 1 1 308.407 0.757 10 0 DCAEMO CC1CC[NH+](C[C@@H](O)CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000304256542 396728923 /nfs/dbraw/zinc/72/89/23/396728923.db2.gz ZPASVTLYKGKKKB-LBPRGKRZSA-N 1 1 306.410 0.721 10 0 DCAEMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375424212 396741455 /nfs/dbraw/zinc/74/14/55/396741455.db2.gz GFROLTPNWKZMFI-JTQLQIEISA-N 1 1 300.384 0.286 10 0 DCAEMO CS(=O)(=O)NCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375424212 396741459 /nfs/dbraw/zinc/74/14/59/396741459.db2.gz GFROLTPNWKZMFI-JTQLQIEISA-N 1 1 300.384 0.286 10 0 DCAEMO Cn1nncc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328621772 396825478 /nfs/dbraw/zinc/82/54/78/396825478.db2.gz AUBSBBGAGMPVFW-KBPBESRZSA-N 1 1 319.388 0.650 10 0 DCAEMO Cn1nncc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328621772 396825483 /nfs/dbraw/zinc/82/54/83/396825483.db2.gz AUBSBBGAGMPVFW-KBPBESRZSA-N 1 1 319.388 0.650 10 0 DCAEMO COc1cc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC3CC3)C2)on1 ZINC000328649307 396829477 /nfs/dbraw/zinc/82/94/77/396829477.db2.gz UXPHTLLIWMNQJH-LBPRGKRZSA-N 1 1 309.366 0.866 10 0 DCAEMO COC(=O)[C@@](C)(O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000611522355 396877953 /nfs/dbraw/zinc/87/79/53/396877953.db2.gz XGGXTXJIGVYOJB-ZDUSSCGKSA-N 1 1 314.411 0.283 10 0 DCAEMO COC(=O)[C@@H]1CCCCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000611578760 396889183 /nfs/dbraw/zinc/88/91/83/396889183.db2.gz VIDSOFBFIVHNLD-ILXRZTDVSA-N 1 1 315.410 0.961 10 0 DCAEMO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000332828609 396894634 /nfs/dbraw/zinc/89/46/34/396894634.db2.gz BWFRSUOBHZGMBC-JHYKVQOGSA-N 1 1 323.437 0.394 10 0 DCAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773980 396914854 /nfs/dbraw/zinc/91/48/54/396914854.db2.gz YBDAUXRZUKBHQA-OWCLPIDISA-N 1 1 303.406 0.551 10 0 DCAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634773980 396914856 /nfs/dbraw/zinc/91/48/56/396914856.db2.gz YBDAUXRZUKBHQA-OWCLPIDISA-N 1 1 303.406 0.551 10 0 DCAEMO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCc2nn[nH]n2)C1 ZINC000630853668 397118715 /nfs/dbraw/zinc/11/87/15/397118715.db2.gz YQZOMOYOFRESSH-UPJWGTAASA-N 1 1 306.414 0.996 10 0 DCAEMO Cc1cc[nH+]c(N2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)c1 ZINC000573711159 397198810 /nfs/dbraw/zinc/19/88/10/397198810.db2.gz WXUXBRFKDJCTMY-UHFFFAOYSA-N 1 1 316.405 0.907 10 0 DCAEMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)C1 ZINC000378486799 397246287 /nfs/dbraw/zinc/24/62/87/397246287.db2.gz DLBPMTVIAHUDNP-ZIAGYGMSSA-N 1 1 312.410 0.899 10 0 DCAEMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCOCC[C@H]2C)C1 ZINC000378486799 397246291 /nfs/dbraw/zinc/24/62/91/397246291.db2.gz DLBPMTVIAHUDNP-ZIAGYGMSSA-N 1 1 312.410 0.899 10 0 DCAEMO O=C1CSc2ncnc(N3CC[NH+](CCCO)CC3)c2N1 ZINC000365262266 397256739 /nfs/dbraw/zinc/25/67/39/397256739.db2.gz UFQFOVHGSPXRRH-UHFFFAOYSA-N 1 1 309.395 0.025 10 0 DCAEMO CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366110402 397338689 /nfs/dbraw/zinc/33/86/89/397338689.db2.gz UQALTUKJQKGONU-HNNXBMFYSA-N 1 1 311.382 0.782 10 0 DCAEMO C[C@H](CNC(=O)N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000407968188 397340816 /nfs/dbraw/zinc/34/08/16/397340816.db2.gz FOBHQHBMZTWVCO-MGPQQGTHSA-N 1 1 310.442 0.979 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408349315 397353910 /nfs/dbraw/zinc/35/39/10/397353910.db2.gz OPNGVEXEHUTULU-CHWSQXEVSA-N 1 1 306.428 0.196 10 0 DCAEMO Cn1nnc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000577744279 397357136 /nfs/dbraw/zinc/35/71/36/397357136.db2.gz IOGPOJUGGFBBLF-CYBMUJFWSA-N 1 1 300.366 0.348 10 0 DCAEMO O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404112592 397327014 /nfs/dbraw/zinc/32/70/14/397327014.db2.gz FBALCAFWSWEFCH-STQMWFEESA-N 1 1 300.355 0.577 10 0 DCAEMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[N@@H+](CC)C1CC1 ZINC000488305948 397489168 /nfs/dbraw/zinc/48/91/68/397489168.db2.gz FZWCGTBCFJGQQV-MNOVXSKESA-N 1 1 313.398 0.043 10 0 DCAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000371296982 397569091 /nfs/dbraw/zinc/56/90/91/397569091.db2.gz FSSLTBBBWIXLCP-SDDRHHMPSA-N 1 1 310.398 0.211 10 0 DCAEMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)COC[C@H]1CCCO1 ZINC000602958588 397534163 /nfs/dbraw/zinc/53/41/63/397534163.db2.gz BOUWRXUXQIEOPA-ZIAGYGMSSA-N 1 1 300.399 0.097 10 0 DCAEMO CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H](C)CS(C)(=O)=O ZINC000602958851 397534357 /nfs/dbraw/zinc/53/43/57/397534357.db2.gz VCRXBDWMGNDHSM-HZSPNIEDSA-N 1 1 323.455 0.298 10 0 DCAEMO CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H](C)CS(C)(=O)=O ZINC000602958851 397534363 /nfs/dbraw/zinc/53/43/63/397534363.db2.gz VCRXBDWMGNDHSM-HZSPNIEDSA-N 1 1 323.455 0.298 10 0 DCAEMO C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604641425 397644979 /nfs/dbraw/zinc/64/49/79/397644979.db2.gz VLSXWTGIAODBTR-RBSFLKMASA-N 1 1 310.442 0.348 10 0 DCAEMO O=C(CC[N@H+]1CCNC(=O)CC1)NC(=O)NCc1ccccc1 ZINC000054259388 158020657 /nfs/dbraw/zinc/02/06/57/158020657.db2.gz TXBBPPDJCQEKHK-UHFFFAOYSA-N 1 1 318.377 0.224 10 0 DCAEMO C[C@@H](NC(N)=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000058056233 158025408 /nfs/dbraw/zinc/02/54/08/158025408.db2.gz GRRTUQNFWPUNGC-GFCCVEGCSA-N 1 1 312.414 0.195 10 0 DCAEMO Cc1nn(C)c(C)c1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000060906815 158028482 /nfs/dbraw/zinc/02/84/82/158028482.db2.gz XDSRLWMTKLTAER-UHFFFAOYSA-N 1 1 323.441 0.601 10 0 DCAEMO CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)C1CC1 ZINC000064140086 158033083 /nfs/dbraw/zinc/03/30/83/158033083.db2.gz RZLAYBIXIPHOCM-CYBMUJFWSA-N 1 1 309.410 0.178 10 0 DCAEMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCNC(=O)CC1 ZINC000068465444 158043459 /nfs/dbraw/zinc/04/34/59/158043459.db2.gz CHOMNILOQHQEOK-HNNXBMFYSA-N 1 1 301.390 1.000 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000074495775 158059849 /nfs/dbraw/zinc/05/98/49/158059849.db2.gz SKKYSLIASMNXSP-CYBMUJFWSA-N 1 1 319.409 0.332 10 0 DCAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075980880 158063698 /nfs/dbraw/zinc/06/36/98/158063698.db2.gz KECJOFBWESRYOP-UONOGXRCSA-N 1 1 310.442 0.981 10 0 DCAEMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000075980880 158063700 /nfs/dbraw/zinc/06/37/00/158063700.db2.gz KECJOFBWESRYOP-UONOGXRCSA-N 1 1 310.442 0.981 10 0 DCAEMO NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000077607013 158069257 /nfs/dbraw/zinc/06/92/57/158069257.db2.gz MYAWVIIIIDBMPW-NSHDSACASA-N 1 1 323.418 0.548 10 0 DCAEMO CC[NH+](CC)CCNC(=O)NCCCCN1CCOCC1 ZINC000077826608 158070572 /nfs/dbraw/zinc/07/05/72/158070572.db2.gz NADQHCJCBXULJV-UHFFFAOYSA-N 1 1 300.447 0.740 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000108718289 158136231 /nfs/dbraw/zinc/13/62/31/158136231.db2.gz PZDQLSHTSUCODR-FRRDWIJNSA-N 1 1 305.444 0.414 10 0 DCAEMO CCOCC[N@@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1C ZINC000117281195 158169734 /nfs/dbraw/zinc/16/97/34/158169734.db2.gz JFKMJHHVMSMIHS-ZDUSSCGKSA-N 1 1 313.442 0.718 10 0 DCAEMO CCOCC[N@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1C ZINC000117281195 158169735 /nfs/dbraw/zinc/16/97/35/158169735.db2.gz JFKMJHHVMSMIHS-ZDUSSCGKSA-N 1 1 313.442 0.718 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)CC(C)C ZINC000118975427 158181371 /nfs/dbraw/zinc/18/13/71/158181371.db2.gz QTNKNFMRBJYPHI-AWEZNQCLSA-N 1 1 313.442 0.766 10 0 DCAEMO O=C(C[C@H]1COC(=O)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000123947048 158235107 /nfs/dbraw/zinc/23/51/07/158235107.db2.gz GNBUMJFCYFGZCO-KGLIPLIRSA-N 1 1 310.394 0.653 10 0 DCAEMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000124442604 158242819 /nfs/dbraw/zinc/24/28/19/158242819.db2.gz HXHZJOJCKKQILI-OAHLLOKOSA-N 1 1 306.410 0.974 10 0 DCAEMO 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CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCSC[C@H]2CCO)C1 ZINC000338277280 416071533 /nfs/dbraw/zinc/07/15/33/416071533.db2.gz LKHRSRBBNWLLEH-NWDGAFQWSA-N 1 1 308.469 0.068 10 0 DCAEMO O=C1CCC(=O)N1CC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000174174079 416074235 /nfs/dbraw/zinc/07/42/35/416074235.db2.gz RETCHKDYEONOCU-AWEZNQCLSA-N 1 1 309.410 0.322 10 0 DCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@@H](C)C1 ZINC000159095909 416006557 /nfs/dbraw/zinc/00/65/57/416006557.db2.gz HEGCHLJXOGABQL-QWRGUYRKSA-N 1 1 305.444 0.159 10 0 DCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000170690494 416029007 /nfs/dbraw/zinc/02/90/07/416029007.db2.gz OUTHFYLXEMLEJZ-NSHDSACASA-N 1 1 324.406 0.833 10 0 DCAEMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000170690494 416029011 /nfs/dbraw/zinc/02/90/11/416029011.db2.gz OUTHFYLXEMLEJZ-NSHDSACASA-N 1 1 324.406 0.833 10 0 DCAEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2c(=O)[nH]n(C)c2n1 ZINC000171586294 416041014 /nfs/dbraw/zinc/04/10/14/416041014.db2.gz 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416125673 /nfs/dbraw/zinc/12/56/73/416125673.db2.gz DXTOTDYHLKUPQW-UHFFFAOYSA-N 1 1 320.393 0.374 10 0 DCAEMO COCC[NH+]1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000176604967 416130097 /nfs/dbraw/zinc/13/00/97/416130097.db2.gz QFNKRMXXQFBJOD-GFCCVEGCSA-N 1 1 308.386 0.087 10 0 DCAEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)[C@@H]3CCO[C@@H]3C)[C@H]2C1 ZINC000328821080 416133620 /nfs/dbraw/zinc/13/36/20/416133620.db2.gz HRBDCAIBJIPGCF-XJFOESAGSA-N 1 1 318.439 0.289 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000176835481 416135975 /nfs/dbraw/zinc/13/59/75/416135975.db2.gz VOFYLUPZJJQFMC-QWHCGFSZSA-N 1 1 314.451 0.896 10 0 DCAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3cncn3C)CC2)C1 ZINC000177055269 416139189 /nfs/dbraw/zinc/13/91/89/416139189.db2.gz GPDRZDKIVNFVRH-QGZVFWFLSA-N 1 1 321.469 0.647 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N2CCC(Nc3cccnn3)CC2)[N@@H+](C)C1 ZINC000329062286 416145766 /nfs/dbraw/zinc/14/57/66/416145766.db2.gz ZOFLTWORJOBGOU-KBPBESRZSA-N 1 1 319.409 0.599 10 0 DCAEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000177668948 416150091 /nfs/dbraw/zinc/15/00/91/416150091.db2.gz PPWXJKGOXXEJKP-CHWSQXEVSA-N 1 1 319.409 0.753 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1CCC(C)CC1 ZINC000329370185 416167060 /nfs/dbraw/zinc/16/70/60/416167060.db2.gz JRGNKYYYMVCSOD-CQSZACIVSA-N 1 1 319.471 0.664 10 0 DCAEMO C[NH+](C)CCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000179212843 416184781 /nfs/dbraw/zinc/18/47/81/416184781.db2.gz ANGOWZXMCKQAGQ-LBPRGKRZSA-N 1 1 311.407 0.766 10 0 DCAEMO CCc1nn(C)c(OC)c1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179707203 416192449 /nfs/dbraw/zinc/19/24/49/416192449.db2.gz OXEOYDNCTGLOIO-LBPRGKRZSA-N 1 1 321.425 0.981 10 0 DCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2cn3ccccc3n2)cn1 ZINC000181328086 416205611 /nfs/dbraw/zinc/20/56/11/416205611.db2.gz SEMMDGFYYGKTKM-HNNXBMFYSA-N 1 1 324.388 0.783 10 0 DCAEMO COC(=O)N(C)CCCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181410428 416208194 /nfs/dbraw/zinc/20/81/94/416208194.db2.gz VATHIGWABXPZMJ-CYBMUJFWSA-N 1 1 323.397 0.371 10 0 DCAEMO C[C@H]1CC[C@H](C)[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000182377694 416220680 /nfs/dbraw/zinc/22/06/80/416220680.db2.gz BACBITDTKZXUFQ-RYUDHWBXSA-N 1 1 319.409 0.554 10 0 DCAEMO COCc1nc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000182465378 416224457 /nfs/dbraw/zinc/22/44/57/416224457.db2.gz GXGCMXLDVWGDPG-CQSZACIVSA-N 1 1 323.441 0.818 10 0 DCAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000178335832 416160674 /nfs/dbraw/zinc/16/06/74/416160674.db2.gz LOMFIMUVLPYTKV-OAHLLOKOSA-N 1 1 306.410 0.951 10 0 DCAEMO COC(=O)Cn1ccc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)n1 ZINC000358467615 416241317 /nfs/dbraw/zinc/24/13/17/416241317.db2.gz PPGQMYBMOHTUIM-UHFFFAOYSA-N 1 1 321.381 0.830 10 0 DCAEMO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC[N@@H+]1CCO ZINC000188804917 416264744 /nfs/dbraw/zinc/26/47/44/416264744.db2.gz ILPACUGCPYDZAR-UKRRQHHQSA-N 1 1 323.437 0.160 10 0 DCAEMO C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC[N@H+]1CCO ZINC000188804917 416264745 /nfs/dbraw/zinc/26/47/45/416264745.db2.gz ILPACUGCPYDZAR-UKRRQHHQSA-N 1 1 323.437 0.160 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000193685733 416319168 /nfs/dbraw/zinc/31/91/68/416319168.db2.gz KSRBXLQGFKFAMO-STQMWFEESA-N 1 1 317.455 0.401 10 0 DCAEMO C[NH2+][C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cnn(C)c1 ZINC000262275941 416336364 /nfs/dbraw/zinc/33/63/64/416336364.db2.gz WJHNQLWGUHRVQM-CQSZACIVSA-N 1 1 315.333 0.650 10 0 DCAEMO O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195311254 416325668 /nfs/dbraw/zinc/32/56/68/416325668.db2.gz PLWSSKXXSOSNIJ-ZIAGYGMSSA-N 1 1 317.389 0.935 10 0 DCAEMO O=C(c1ccccc1)N1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237958688 416329325 /nfs/dbraw/zinc/32/93/25/416329325.db2.gz UPDHXLBGTAMDDN-HNNXBMFYSA-N 1 1 317.389 0.350 10 0 DCAEMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245576899 416331241 /nfs/dbraw/zinc/33/12/41/416331241.db2.gz BESNPNGTYZMLCR-GMXVVIOVSA-N 1 1 322.409 0.306 10 0 DCAEMO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000360205848 416379627 /nfs/dbraw/zinc/37/96/27/416379627.db2.gz FSCTZCYWKOKELU-GFCCVEGCSA-N 1 1 302.440 0.802 10 0 DCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000360205848 416379628 /nfs/dbraw/zinc/37/96/28/416379628.db2.gz FSCTZCYWKOKELU-GFCCVEGCSA-N 1 1 302.440 0.802 10 0 DCAEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](O)Cn1ccnn1 ZINC000458433842 416467200 /nfs/dbraw/zinc/46/72/00/416467200.db2.gz QOTYAHOKWNGORN-KBPBESRZSA-N 1 1 324.429 0.203 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)[N@@H+](C)C1 ZINC000583619943 416480613 /nfs/dbraw/zinc/48/06/13/416480613.db2.gz GXLYBBCOMHREJG-STQMWFEESA-N 1 1 307.398 0.086 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)[nH]n1 ZINC000458556225 416481478 /nfs/dbraw/zinc/48/14/78/416481478.db2.gz QDQOIPBJELTAEC-WFASDCNBSA-N 1 1 323.441 0.795 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)n[nH]1 ZINC000458556225 416481485 /nfs/dbraw/zinc/48/14/85/416481485.db2.gz QDQOIPBJELTAEC-WFASDCNBSA-N 1 1 323.441 0.795 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)n[nH]1 ZINC000458556225 416481490 /nfs/dbraw/zinc/48/14/90/416481490.db2.gz QDQOIPBJELTAEC-WFASDCNBSA-N 1 1 323.441 0.795 10 0 DCAEMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCSC[C@@H]1CCO ZINC000535797421 416532080 /nfs/dbraw/zinc/53/20/80/416532080.db2.gz DOGYKEQHKWAHTM-OLZOCXBDSA-N 1 1 302.440 0.281 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000361862178 416511694 /nfs/dbraw/zinc/51/16/94/416511694.db2.gz LSPJNUCKOJUYQE-UHFFFAOYSA-N 1 1 319.409 1.171 10 0 DCAEMO CC(C)c1nn(C)cc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000361907174 416520767 /nfs/dbraw/zinc/52/07/67/416520767.db2.gz OEMKVVONFWAJAI-UHFFFAOYSA-N 1 1 319.409 0.860 10 0 DCAEMO CC(C)[C@H](CNC(=O)c1cccc2ncnn21)[NH+]1CCOCC1 ZINC000542477638 416624465 /nfs/dbraw/zinc/62/44/65/416624465.db2.gz GMOYUZKCVREIBB-AWEZNQCLSA-N 1 1 317.393 0.816 10 0 DCAEMO CNc1ncc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)s1 ZINC000367344351 416643226 /nfs/dbraw/zinc/64/32/26/416643226.db2.gz XAYUKWKOVHOYKP-UHFFFAOYSA-N 1 1 320.422 1.317 10 0 DCAEMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)CCCO ZINC000440971485 416655878 /nfs/dbraw/zinc/65/58/78/416655878.db2.gz ZYCPXSJGRVIORZ-CYBMUJFWSA-N 1 1 322.405 0.819 10 0 DCAEMO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCN2CCOC[C@@H]2C1 ZINC000544590113 416657141 /nfs/dbraw/zinc/65/71/41/416657141.db2.gz IYLUJUQBJSDBGW-JKSUJKDBSA-N 1 1 307.438 0.936 10 0 DCAEMO COCC1(O)CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000545176157 416664608 /nfs/dbraw/zinc/66/46/08/416664608.db2.gz OIPAIXLYGPDIOD-UHFFFAOYSA-N 1 1 311.426 0.821 10 0 DCAEMO COc1cccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000368540417 416667516 /nfs/dbraw/zinc/66/75/16/416667516.db2.gz VQWAMIZCAFEDBZ-CQSZACIVSA-N 1 1 305.378 0.960 10 0 DCAEMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000442292215 416691245 /nfs/dbraw/zinc/69/12/45/416691245.db2.gz 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10 0 DCAEMO Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([C@H]2CCOC2)n1 ZINC000548344012 288134097 /nfs/dbraw/zinc/13/40/97/288134097.db2.gz YVVDAEBAIQZJCW-RYUDHWBXSA-N 1 1 304.394 0.891 10 0 DCAEMO O=C([C@@H]1C[C@@H](F)CN1c1[nH+]cnc2[nH]ccc21)N1CCOCC1 ZINC000299743675 280108773 /nfs/dbraw/zinc/10/87/73/280108773.db2.gz OOTQRYVYPDMSIR-PWSUYJOCSA-N 1 1 319.340 0.734 10 0 DCAEMO CC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000408317137 281172378 /nfs/dbraw/zinc/17/23/78/281172378.db2.gz VOKBLGBWSRNQSU-UWVGGRQHSA-N 1 1 318.361 0.656 10 0 DCAEMO CC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000408317137 281172381 /nfs/dbraw/zinc/17/23/81/281172381.db2.gz VOKBLGBWSRNQSU-UWVGGRQHSA-N 1 1 318.361 0.656 10 0 DCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333765632 289250586 /nfs/dbraw/zinc/25/05/86/289250586.db2.gz QDJMZHOWUUZZIZ-QVHKTLOISA-N 1 1 323.437 0.205 10 0 DCAEMO C[C@H](NC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C)C(=O)N(C)C ZINC000368527790 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/nfs/dbraw/zinc/13/72/84/671137284.db2.gz RKYLTFITBHIGKE-OLZOCXBDSA-N 1 1 318.826 0.997 10 0 DCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000116892130 671137288 /nfs/dbraw/zinc/13/72/88/671137288.db2.gz RKYLTFITBHIGKE-OLZOCXBDSA-N 1 1 318.826 0.997 10 0 DCAEMO COCC[N@H+]1CCN(Cn2nnc3ccccc3c2=O)C[C@@H]1C ZINC000117321833 671193317 /nfs/dbraw/zinc/19/33/17/671193317.db2.gz KFJWAMQXTZEASK-ZDUSSCGKSA-N 1 1 317.393 0.402 10 0 DCAEMO C[N@H+](CCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC000105903282 672247784 /nfs/dbraw/zinc/24/77/84/672247784.db2.gz DCFQRLYHVCYJLR-UHFFFAOYSA-N 1 1 314.455 0.324 10 0 DCAEMO C[N@@H+](CCS(C)(=O)=O)C1CCN(CCn2cccn2)CC1 ZINC000105903282 672247787 /nfs/dbraw/zinc/24/77/87/672247787.db2.gz DCFQRLYHVCYJLR-UHFFFAOYSA-N 1 1 314.455 0.324 10 0 DCAEMO CN(CCS(C)(=O)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903282 672247790 /nfs/dbraw/zinc/24/77/90/672247790.db2.gz DCFQRLYHVCYJLR-UHFFFAOYSA-N 1 1 314.455 0.324 10 0 DCAEMO O=S1(=O)CCC(C[N@H+]2CCC[C@H](C3OCCO3)C2)CC1 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UITLMOBCJWUFIU-NXEZZACHSA-N 1 1 318.826 0.787 10 0 DCAEMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185174102 396320607 /nfs/dbraw/zinc/32/06/07/396320607.db2.gz UITLMOBCJWUFIU-NXEZZACHSA-N 1 1 318.826 0.787 10 0 DCAEMO Cc1cc(N2CC[C@@H]([N@@H+](C)CC3(O)CCOCC3)C2=O)n(C)n1 ZINC000187112892 396363679 /nfs/dbraw/zinc/36/36/79/396363679.db2.gz KIZBUIIFSHZLPS-CYBMUJFWSA-N 1 1 322.409 0.307 10 0 DCAEMO COc1ccc(OC)c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188756097 396385810 /nfs/dbraw/zinc/38/58/10/396385810.db2.gz CSTORKIDGXBZMM-GFCCVEGCSA-N 1 1 308.378 0.842 10 0 DCAEMO COc1ccc(OC)c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188756097 396385814 /nfs/dbraw/zinc/38/58/14/396385814.db2.gz CSTORKIDGXBZMM-GFCCVEGCSA-N 1 1 308.378 0.842 10 0 DCAEMO C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC[N@@H+]1CCO ZINC000188811085 396387373 /nfs/dbraw/zinc/38/73/73/396387373.db2.gz QIMPSKXWCFVXQC-WFASDCNBSA-N 1 1 318.373 0.293 10 0 DCAEMO C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC[N@H+]1CCO ZINC000188811085 396387376 /nfs/dbraw/zinc/38/73/76/396387376.db2.gz QIMPSKXWCFVXQC-WFASDCNBSA-N 1 1 318.373 0.293 10 0 DCAEMO C[C@@H](CNC(=O)N1CC(NC(=O)C2CCC2)C1)[N@@H+](C)C1CC1 ZINC000188841460 396387538 /nfs/dbraw/zinc/38/75/38/396387538.db2.gz AMYQNRNGVSAXTE-NSHDSACASA-N 1 1 308.426 0.779 10 0 DCAEMO Cc1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)no1 ZINC000188935489 396388778 /nfs/dbraw/zinc/38/87/78/396388778.db2.gz OAHKOMMTNAZKHG-JTQLQIEISA-N 1 1 311.386 0.365 10 0 DCAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000189974489 396401262 /nfs/dbraw/zinc/40/12/62/396401262.db2.gz JRKOBFCJHLNAIW-AWEZNQCLSA-N 1 1 319.409 0.266 10 0 DCAEMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000189974489 396401264 /nfs/dbraw/zinc/40/12/64/396401264.db2.gz JRKOBFCJHLNAIW-AWEZNQCLSA-N 1 1 319.409 0.266 10 0 DCAEMO CC(=O)NC1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000190290999 396404325 /nfs/dbraw/zinc/40/43/25/396404325.db2.gz CJAVTMPCLWLTBA-HZPDHXFCSA-N 1 1 316.405 0.962 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)nn1C ZINC000190349414 396405318 /nfs/dbraw/zinc/40/53/18/396405318.db2.gz JQJGRUPVVPGHTA-QWHCGFSZSA-N 1 1 319.409 0.752 10 0 DCAEMO CC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)OCCCO1 ZINC000191148825 396416105 /nfs/dbraw/zinc/41/61/05/396416105.db2.gz BPFIQWGRRPXPFG-AWEZNQCLSA-N 1 1 312.410 0.899 10 0 DCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccnc1 ZINC000268867887 396375674 /nfs/dbraw/zinc/37/56/74/396375674.db2.gz FTHZMLBGMPFFQJ-RISCZKNCSA-N 1 1 302.378 0.410 10 0 DCAEMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(O)c1 ZINC000371666926 396473766 /nfs/dbraw/zinc/47/37/66/396473766.db2.gz XUCSQVRVHMOOFE-OAHLLOKOSA-N 1 1 319.405 0.529 10 0 DCAEMO CN1C2(CCC2)COC[C@]1(CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527751836 396547813 /nfs/dbraw/zinc/54/78/13/396547813.db2.gz CUKDPRLFLCUGPZ-XYJFISCASA-N 1 1 323.481 0.819 10 0 DCAEMO CN1C2(CCC2)COC[C@]1(CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527751836 396547815 /nfs/dbraw/zinc/54/78/15/396547815.db2.gz CUKDPRLFLCUGPZ-XYJFISCASA-N 1 1 323.481 0.819 10 0 DCAEMO CC[C@@H](C)[C@@H]1CN(C[C@H](O)COC)CC[N@H+]1C[C@H](O)COC ZINC000562112358 396651630 /nfs/dbraw/zinc/65/16/30/396651630.db2.gz OVGJZFJIHLHXBD-UGUYLWEFSA-N 1 1 318.458 0.033 10 0 DCAEMO CC[C@@H](C)[C@@H]1C[N@H+](C[C@H](O)COC)CCN1C[C@H](O)COC ZINC000562112358 396651631 /nfs/dbraw/zinc/65/16/31/396651631.db2.gz OVGJZFJIHLHXBD-UGUYLWEFSA-N 1 1 318.458 0.033 10 0 DCAEMO CC[C@@H](C)[C@@H]1C[N@@H+](C[C@H](O)COC)CCN1C[C@H](O)COC ZINC000562112358 396651632 /nfs/dbraw/zinc/65/16/32/396651632.db2.gz OVGJZFJIHLHXBD-UGUYLWEFSA-N 1 1 318.458 0.033 10 0 DCAEMO O=C(CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)N1CCOCC1 ZINC000375465909 396753020 /nfs/dbraw/zinc/75/30/20/396753020.db2.gz RHFFPRNUJHIJBK-CYBMUJFWSA-N 1 1 320.393 0.985 10 0 DCAEMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=NNC(=O)CC1 ZINC000309759929 396759366 /nfs/dbraw/zinc/75/93/66/396759366.db2.gz XTOQPVIFGPIODN-AWEZNQCLSA-N 1 1 314.389 0.891 10 0 DCAEMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1)N1CCCC1 ZINC000601073794 397000586 /nfs/dbraw/zinc/00/05/86/397000586.db2.gz PUWZKAYKSMKBPK-HUUCEWRRSA-N 1 1 306.410 0.578 10 0 DCAEMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccnc3c2ncn3C)CC1 ZINC000377327980 397067066 /nfs/dbraw/zinc/06/70/66/397067066.db2.gz VJYYIRXRFDSHBS-GFCCVEGCSA-N 1 1 317.393 0.497 10 0 DCAEMO c1c(CNC[C@H]2CC[N@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040798 397159927 /nfs/dbraw/zinc/15/99/27/397159927.db2.gz VJHVKNWEUYUBSV-KGLIPLIRSA-N 1 1 305.426 0.889 10 0 DCAEMO c1cnnc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000378442395 397240223 /nfs/dbraw/zinc/24/02/23/397240223.db2.gz NAWPQBCHUQMBNO-GASCZTMLSA-N 1 1 303.410 0.462 10 0 DCAEMO c1cnnc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000378442395 397240226 /nfs/dbraw/zinc/24/02/26/397240226.db2.gz NAWPQBCHUQMBNO-GASCZTMLSA-N 1 1 303.410 0.462 10 0 DCAEMO CCOC(=O)[C@@H](N)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381034410 397270626 /nfs/dbraw/zinc/27/06/26/397270626.db2.gz CBEVSTUYOUUAJV-OCCSQVGLSA-N 1 1 307.394 0.514 10 0 DCAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000407970816 397342754 /nfs/dbraw/zinc/34/27/54/397342754.db2.gz DLIDASYYZOWEHZ-RDBSUJKOSA-N 1 1 310.442 0.979 10 0 DCAEMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnc2ccccn2c1=O ZINC000408071002 397346509 /nfs/dbraw/zinc/34/65/09/397346509.db2.gz OPUXIMNYNQVKSK-RYUDHWBXSA-N 1 1 300.362 0.859 10 0 DCAEMO COC(=O)[C@@H](C)CN(C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000602500839 397421151 /nfs/dbraw/zinc/42/11/51/397421151.db2.gz QHNBGNLUDVITGK-DZGCQCFKSA-N 1 1 321.421 0.713 10 0 DCAEMO COC(=O)[C@@H](C)CN(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000602500839 397421154 /nfs/dbraw/zinc/42/11/54/397421154.db2.gz QHNBGNLUDVITGK-DZGCQCFKSA-N 1 1 321.421 0.713 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3nccn3c2)CC[N@H+]1C ZINC000578422395 397433174 /nfs/dbraw/zinc/43/31/74/397433174.db2.gz TYRWRSPRIPCBMB-NEPJUHHUSA-N 1 1 315.377 0.824 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc3nccn3c2)CC[N@@H+]1C ZINC000578422395 397433178 /nfs/dbraw/zinc/43/31/78/397433178.db2.gz TYRWRSPRIPCBMB-NEPJUHHUSA-N 1 1 315.377 0.824 10 0 DCAEMO CO[C@@H](C)[C@H](C)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000466902046 397446274 /nfs/dbraw/zinc/44/62/74/397446274.db2.gz DGWKSRWVVYWVPG-AVGNSLFASA-N 1 1 314.430 0.296 10 0 DCAEMO CC(=O)c1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1O ZINC000614504839 397454049 /nfs/dbraw/zinc/45/40/49/397454049.db2.gz GVYALYOJIMKELP-AWEZNQCLSA-N 1 1 317.389 0.715 10 0 DCAEMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000401568934 533674298 /nfs/dbraw/zinc/67/42/98/533674298.db2.gz CUICCCHPYLXQGO-UPJWGTAASA-N 1 1 318.373 0.346 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)N(C)CC(=O)N2CCOCC2)CC1 ZINC000579776130 397592358 /nfs/dbraw/zinc/59/23/58/397592358.db2.gz VZQAMONDARYUHH-UHFFFAOYSA-N 1 1 324.425 0.139 10 0 DCAEMO Cn1nccc1CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000579902936 397597051 /nfs/dbraw/zinc/59/70/51/397597051.db2.gz QDFRPOYJNKXXHF-OAHLLOKOSA-N 1 1 306.410 0.676 10 0 DCAEMO COC(=O)CCCS(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000049063027 158009596 /nfs/dbraw/zinc/00/95/96/158009596.db2.gz KRSDTFNTZXMNMU-YHWZYXNKSA-N 1 1 318.439 0.732 10 0 DCAEMO O=C(C[N@@H+]1CCNC(=O)CC1)NCCCOC1CCCCC1 ZINC000065954641 158034913 /nfs/dbraw/zinc/03/49/13/158034913.db2.gz FJOQTPNHYHGWNR-UHFFFAOYSA-N 1 1 311.426 0.664 10 0 DCAEMO O=C(C[N@H+]1CCNC(=O)CC1)NCCCOC1CCCCC1 ZINC000065954641 158034918 /nfs/dbraw/zinc/03/49/18/158034918.db2.gz FJOQTPNHYHGWNR-UHFFFAOYSA-N 1 1 311.426 0.664 10 0 DCAEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCS(N)(=O)=O ZINC000068458064 158043682 /nfs/dbraw/zinc/04/36/82/158043682.db2.gz FDNVNOFWOKGILB-WOPDTQHZSA-N 1 1 304.412 0.471 10 0 DCAEMO Cc1nc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000074611702 158059906 /nfs/dbraw/zinc/05/99/06/158059906.db2.gz FXOYVZUDTINGFN-CYBMUJFWSA-N 1 1 323.397 0.774 10 0 DCAEMO 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ZINC000408112346 160038518 /nfs/dbraw/zinc/03/85/18/160038518.db2.gz KALUDFNDWWAMIF-RISCZKNCSA-N 1 1 303.362 0.939 10 0 DCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408112168 160038758 /nfs/dbraw/zinc/03/87/58/160038758.db2.gz ITEBDEXEGSDSFU-NSHDSACASA-N 1 1 310.398 0.260 10 0 DCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000408112168 160038759 /nfs/dbraw/zinc/03/87/59/160038759.db2.gz ITEBDEXEGSDSFU-NSHDSACASA-N 1 1 310.398 0.260 10 0 DCAEMO CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408140074 160045780 /nfs/dbraw/zinc/04/57/80/160045780.db2.gz QGDIGYWBVUHHMZ-OLZOCXBDSA-N 1 1 317.455 0.257 10 0 DCAEMO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N[C@@H](C)C3)CC2)c1 ZINC000408200518 160058396 /nfs/dbraw/zinc/05/83/96/160058396.db2.gz CQYLHZOYXJMTID-KBPBESRZSA-N 1 1 316.405 0.953 10 0 DCAEMO CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC(=O)N1 ZINC000408200995 160058502 /nfs/dbraw/zinc/05/85/02/160058502.db2.gz 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CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000408301857 160080009 /nfs/dbraw/zinc/08/00/09/160080009.db2.gz CVHUWDDZDXAFOD-HZSPNIEDSA-N 1 1 319.471 0.803 10 0 DCAEMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)C1CCCCC1 ZINC000408308857 160082597 /nfs/dbraw/zinc/08/25/97/160082597.db2.gz WUQUGOPOQSHSNI-KGLIPLIRSA-N 1 1 304.456 0.941 10 0 DCAEMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000408308862 160082628 /nfs/dbraw/zinc/08/26/28/160082628.db2.gz WUQUGOPOQSHSNI-ZIAGYGMSSA-N 1 1 304.456 0.941 10 0 DCAEMO CC(C)[N@H+]1C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](C)C1 ZINC000408315915 160083323 /nfs/dbraw/zinc/08/33/23/160083323.db2.gz MGZYIWNDUVVZAG-RYUDHWBXSA-N 1 1 302.440 0.799 10 0 DCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)[C@@H](C)C1 ZINC000408315915 160083325 /nfs/dbraw/zinc/08/33/25/160083325.db2.gz MGZYIWNDUVVZAG-RYUDHWBXSA-N 1 1 302.440 0.799 10 0 DCAEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408339445 160088376 /nfs/dbraw/zinc/08/83/76/160088376.db2.gz BZPVKIWAXAQJMI-GZBFAFLISA-N 1 1 304.394 0.804 10 0 DCAEMO Cn1cc([C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CCO2)cn1 ZINC000408405050 160101884 /nfs/dbraw/zinc/10/18/84/160101884.db2.gz HQQFFIOKKSQDTA-DZGCQCFKSA-N 1 1 319.409 0.740 10 0 DCAEMO CCCn1nccc1NC(=O)C(=O)N1CC[NH+](CCC)CC1 ZINC000151909023 287036673 /nfs/dbraw/zinc/03/66/73/287036673.db2.gz SHWQKYIDBSYPDV-UHFFFAOYSA-N 1 1 307.398 0.786 10 0 DCAEMO CC[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCN1CC(F)F ZINC000153367478 287049518 /nfs/dbraw/zinc/04/95/18/287049518.db2.gz DOLQTKCEKHXKNM-LLVKDONJSA-N 1 1 318.368 0.590 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)Cc2nc(N)nc(N(C)C)n2)[C@H](C)C1 ZINC000177127489 287053383 /nfs/dbraw/zinc/05/33/83/287053383.db2.gz WDBJZEWIBNADIG-NEPJUHHUSA-N 1 1 307.446 0.682 10 0 DCAEMO COC(=O)CC[N@@H+]1CCN(Cc2nc(N(C)C)no2)[C@H](C)C1 ZINC000192787116 287060214 /nfs/dbraw/zinc/06/02/14/287060214.db2.gz ICLJVMIDFSOFJG-LLVKDONJSA-N 1 1 311.386 0.205 10 0 DCAEMO 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ZINC000179155776 416182636 /nfs/dbraw/zinc/18/26/36/416182636.db2.gz WHEVYWSMAHIIMV-LBPRGKRZSA-N 1 1 305.382 0.364 10 0 DCAEMO CN1CCN(c2ncc(CN3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000179548882 416190467 /nfs/dbraw/zinc/19/04/67/416190467.db2.gz DVLOGPNRACHUFH-MRXNPFEDSA-N 1 1 316.453 0.508 10 0 DCAEMO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478691 416198100 /nfs/dbraw/zinc/19/81/00/416198100.db2.gz APHLYPZJHIQQIM-JKSUJKDBSA-N 1 1 308.426 0.613 10 0 DCAEMO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478691 416198102 /nfs/dbraw/zinc/19/81/02/416198102.db2.gz APHLYPZJHIQQIM-JKSUJKDBSA-N 1 1 308.426 0.613 10 0 DCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C(=O)Nc2ccccc2)cn1 ZINC000181363721 416206841 /nfs/dbraw/zinc/20/68/41/416206841.db2.gz LACCWQKVGXIAHC-AWEZNQCLSA-N 1 1 313.361 0.532 10 0 DCAEMO Cn1ncc2c1ncc(C(=O)N1CC[N@H+]3CCC[C@H]3C1)c2O ZINC000181956273 416214198 /nfs/dbraw/zinc/21/41/98/416214198.db2.gz IIRVQGQUZMWNEW-JTQLQIEISA-N 1 1 301.350 0.594 10 0 DCAEMO C[C@@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)[C@H]1CCCO1 ZINC000182371500 416219293 /nfs/dbraw/zinc/21/92/93/416219293.db2.gz NXIPLNFQACTHMK-HUUCEWRRSA-N 1 1 312.458 0.833 10 0 DCAEMO CN1CCO[C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000182705213 416229264 /nfs/dbraw/zinc/22/92/64/416229264.db2.gz PYFIGGKSQMAIDL-RBSFLKMASA-N 1 1 310.442 0.443 10 0 DCAEMO C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCS1(=O)=O ZINC000329294107 416162661 /nfs/dbraw/zinc/16/26/61/416162661.db2.gz RTYWPAPTVQRGQN-STQMWFEESA-N 1 1 302.440 0.896 10 0 DCAEMO C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@]1(CO)CCOC1 ZINC000329326199 416163088 /nfs/dbraw/zinc/16/30/88/416163088.db2.gz WLYLCPFGVRZTAQ-FMKPAKJESA-N 1 1 312.410 0.240 10 0 DCAEMO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@]1(CO)CCOC1 ZINC000329326199 416163093 /nfs/dbraw/zinc/16/30/93/416163093.db2.gz WLYLCPFGVRZTAQ-FMKPAKJESA-N 1 1 312.410 0.240 10 0 DCAEMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000186706110 416258515 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10 0 DCAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000130261894 525573430 /nfs/dbraw/zinc/57/34/30/525573430.db2.gz PBSBCGUULDRXOE-ZFWWWQNUSA-N 1 1 321.425 0.815 10 0 DCAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000130261894 525573439 /nfs/dbraw/zinc/57/34/39/525573439.db2.gz PBSBCGUULDRXOE-ZFWWWQNUSA-N 1 1 321.425 0.815 10 0 DCAEMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249971473 525903730 /nfs/dbraw/zinc/90/37/30/525903730.db2.gz KLNPWTIKPJDFAD-ILXRZTDVSA-N 1 1 314.426 0.486 10 0 DCAEMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249971473 525903737 /nfs/dbraw/zinc/90/37/37/525903737.db2.gz KLNPWTIKPJDFAD-ILXRZTDVSA-N 1 1 314.426 0.486 10 0 DCAEMO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000105903300 526660935 /nfs/dbraw/zinc/66/09/35/526660935.db2.gz UMNYMIDDGFOVKO-JSGCOSHPSA-N 1 1 312.414 0.843 10 0 DCAEMO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000295639269 527297149 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10 0 DCAEMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000190016218 524249451 /nfs/dbraw/zinc/24/94/51/524249451.db2.gz QWOWMWUUUMOXEA-NSHDSACASA-N 1 1 305.378 0.817 10 0 DCAEMO COc1ccnc(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000191482204 524841865 /nfs/dbraw/zinc/84/18/65/524841865.db2.gz KNIVXVKNUNISLK-AWEZNQCLSA-N 1 1 321.425 0.328 10 0 DCAEMO COc1ccnc(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000191482204 524841875 /nfs/dbraw/zinc/84/18/75/524841875.db2.gz KNIVXVKNUNISLK-AWEZNQCLSA-N 1 1 321.425 0.328 10 0 DCAEMO Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246355760 525330772 /nfs/dbraw/zinc/33/07/72/525330772.db2.gz FVQLMOPZRWTBEH-BXUZGUMPSA-N 1 1 307.394 0.707 10 0 DCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCS[C@H](C)CC1 ZINC000249031963 525932307 /nfs/dbraw/zinc/93/23/07/525932307.db2.gz MCRGZIZMGWMFFV-VXGBXAGGSA-N 1 1 313.467 0.939 10 0 DCAEMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1)N1CCOCC1 ZINC000249258265 526468292 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CCCc1noc(CCCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000188786849 528782785 /nfs/dbraw/zinc/78/27/85/528782785.db2.gz BQDNTLMSEYXEND-CYBMUJFWSA-N 1 1 324.425 0.870 10 0 DCAEMO CCCc1noc(CCCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000188786849 528782786 /nfs/dbraw/zinc/78/27/86/528782786.db2.gz BQDNTLMSEYXEND-CYBMUJFWSA-N 1 1 324.425 0.870 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nc(CS(C)(=O)=O)no1 ZINC000175334872 529099277 /nfs/dbraw/zinc/09/92/77/529099277.db2.gz JJALGZLKXSPWTH-NSHDSACASA-N 1 1 316.427 0.530 10 0 DCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@@H]2C1 ZINC000284883727 536479641 /nfs/dbraw/zinc/47/96/41/536479641.db2.gz GBRPCSSNWMTNQL-ZIAGYGMSSA-N 1 1 303.362 0.331 10 0 DCAEMO O=C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)N1CCNC(=O)C1 ZINC000075831541 545675454 /nfs/dbraw/zinc/67/54/54/545675454.db2.gz QNNNIEFHOIWFQW-CQSZACIVSA-N 1 1 309.410 0.368 10 0 DCAEMO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1COCC[NH2+]1 ZINC000164704374 545876830 /nfs/dbraw/zinc/87/68/30/545876830.db2.gz JPNUGLXRKXQYIJ-JTQLQIEISA-N 1 1 319.283 0.627 10 0 DCAEMO C[N@@H+](CCN1CCN(C(=O)CO)CC1)Cc1ccc(F)cc1 ZINC000181774095 545903975 /nfs/dbraw/zinc/90/39/75/545903975.db2.gz QKSXDGIJAOUBCJ-UHFFFAOYSA-N 1 1 309.385 0.394 10 0 DCAEMO CCc1n[nH]c(C2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)n1 ZINC000190719947 545924568 /nfs/dbraw/zinc/92/45/68/545924568.db2.gz JGRBIRAVBJOOLI-ZDUSSCGKSA-N 1 1 321.425 0.530 10 0 DCAEMO CCc1nc(C2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)n[nH]1 ZINC000190719947 545924572 /nfs/dbraw/zinc/92/45/72/545924572.db2.gz JGRBIRAVBJOOLI-ZDUSSCGKSA-N 1 1 321.425 0.530 10 0 DCAEMO CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000328976437 546041966 /nfs/dbraw/zinc/04/19/66/546041966.db2.gz CZNAIRSOLKHTFT-RNJOBUHISA-N 1 1 324.381 0.386 10 0 DCAEMO CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000328976437 546041972 /nfs/dbraw/zinc/04/19/72/546041972.db2.gz CZNAIRSOLKHTFT-RNJOBUHISA-N 1 1 324.381 0.386 10 0 DCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332963495 546067437 /nfs/dbraw/zinc/06/74/37/546067437.db2.gz OZYKTMRTBWCGHX-UXLLHSPISA-N 1 1 324.469 0.569 10 0 DCAEMO O[C@]1(Cn2ccnn2)CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000671552833 547247957 /nfs/dbraw/zinc/24/79/57/547247957.db2.gz YWNVSXRIPAITLZ-QGZVFWFLSA-N 1 1 314.389 0.893 10 0 DCAEMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C2 ZINC000888094563 661161686 /nfs/dbraw/zinc/16/16/86/661161686.db2.gz BOGHCEWTUOLFQE-AVRGHOLYSA-N 1 1 311.426 0.061 10 0 DCAEMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CON(C(=O)OC(C)(C)C)C1 ZINC000722501530 661281848 /nfs/dbraw/zinc/28/18/48/661281848.db2.gz QUYZLRPXYQQXQN-WDEREUQCSA-N 1 1 322.427 0.950 10 0 DCAEMO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)nn1C ZINC000889070526 657492523 /nfs/dbraw/zinc/49/25/23/657492523.db2.gz RQGURNSKYIHKEN-GHMZBOCLSA-N 1 1 321.381 0.907 10 0 DCAEMO C[N@@H+]1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046382 657918410 /nfs/dbraw/zinc/91/84/10/657918410.db2.gz CKERKODTGWSQJP-BDAKNGLRSA-N 1 1 306.275 0.543 10 0 DCAEMO C[N@H+]1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046382 657918414 /nfs/dbraw/zinc/91/84/14/657918414.db2.gz CKERKODTGWSQJP-BDAKNGLRSA-N 1 1 306.275 0.543 10 0 DCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000255839268 658664061 /nfs/dbraw/zinc/66/40/61/658664061.db2.gz FACYCEVHLFSHCJ-DZGCQCFKSA-N 1 1 317.437 0.995 10 0 DCAEMO COc1nccnc1C[N@H+]1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000888078312 658726077 /nfs/dbraw/zinc/72/60/77/658726077.db2.gz IJBYWMAKFMGPCN-GXFFZTMASA-N 1 1 304.354 0.228 10 0 DCAEMO COc1nccnc1C[N@@H+]1C[C@@H](OC)[C@H](c2cn(C)nn2)C1 ZINC000888078312 658726082 /nfs/dbraw/zinc/72/60/82/658726082.db2.gz IJBYWMAKFMGPCN-GXFFZTMASA-N 1 1 304.354 0.228 10 0 DCAEMO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000181373757 659043954 /nfs/dbraw/zinc/04/39/54/659043954.db2.gz FQQNFXDWTWIYMH-NWDGAFQWSA-N 1 1 306.366 0.188 10 0 DCAEMO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000181373757 659043959 /nfs/dbraw/zinc/04/39/59/659043959.db2.gz FQQNFXDWTWIYMH-NWDGAFQWSA-N 1 1 306.366 0.188 10 0 DCAEMO Cc1nc2c(nccc2C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]1 ZINC000333136528 659771265 /nfs/dbraw/zinc/77/12/65/659771265.db2.gz JLWAQNSYXWQTRR-WDEREUQCSA-N 1 1 317.393 0.793 10 0 DCAEMO Cc1nc2c(nccc2C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]1 ZINC000333136528 659771268 /nfs/dbraw/zinc/77/12/68/659771268.db2.gz JLWAQNSYXWQTRR-WDEREUQCSA-N 1 1 317.393 0.793 10 0 DCAEMO [NH3+]Cc1nc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)no1 ZINC000261658395 661354868 /nfs/dbraw/zinc/35/48/68/661354868.db2.gz GSBABTRKIAVXNV-UHFFFAOYSA-N 1 1 319.340 0.625 10 0 DCAEMO CNC(=O)[C@H]1CN(Cc2noc(C[NH3+])n2)c2ccccc2O1 ZINC000262041288 661978917 /nfs/dbraw/zinc/97/89/17/661978917.db2.gz HQPBZNPRKAAEHV-LLVKDONJSA-N 1 1 303.322 0.042 10 0 DCAEMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccc4c3NCC4)C2)N1 ZINC000262047932 661989380 /nfs/dbraw/zinc/98/93/80/661989380.db2.gz ZGMJVWZAACFIMN-MRXNPFEDSA-N 1 1 300.362 0.829 10 0 DCAEMO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000262570222 662489969 /nfs/dbraw/zinc/48/99/69/662489969.db2.gz XKAMDYHNZWKCSC-UMPJEAMMSA-N 1 1 307.438 0.826 10 0 DCAEMO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000262570222 662489970 /nfs/dbraw/zinc/48/99/70/662489970.db2.gz XKAMDYHNZWKCSC-UMPJEAMMSA-N 1 1 307.438 0.826 10 0 DCAEMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000908195531 663741415 /nfs/dbraw/zinc/74/14/15/663741415.db2.gz QPXFZASYEFYJDS-KNCOVGOOSA-N 1 1 324.446 0.738 10 0 DCAEMO CNC(=O)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000911346859 664040607 /nfs/dbraw/zinc/04/06/07/664040607.db2.gz XBZLUWGSKMMXPE-JKIFEVAISA-N 1 1 323.437 0.493 10 0 DCAEMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)Nc2cncnc2-n2cccn2)O1 ZINC000911971498 664128753 /nfs/dbraw/zinc/12/87/53/664128753.db2.gz YAQKFOOEXFARQH-JQWIXIFHSA-N 1 1 302.338 0.320 10 0 DCAEMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)Nc2cncnc2-n2cccn2)O1 ZINC000911971498 664128756 /nfs/dbraw/zinc/12/87/56/664128756.db2.gz YAQKFOOEXFARQH-JQWIXIFHSA-N 1 1 302.338 0.320 10 0 DCAEMO COC(CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221552 664291485 /nfs/dbraw/zinc/29/14/85/664291485.db2.gz UQIXZDGTTNAEOO-UKRRQHHQSA-N 1 1 322.405 0.968 10 0 DCAEMO COC(CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221552 664291488 /nfs/dbraw/zinc/29/14/88/664291488.db2.gz UQIXZDGTTNAEOO-UKRRQHHQSA-N 1 1 322.405 0.968 10 0 DCAEMO CNC(=O)CCNc1[nH+]c(N2CCOCC2)nc2[nH]c(C)cc21 ZINC000223942610 664427840 /nfs/dbraw/zinc/42/78/40/664427840.db2.gz LVDXSQSNISPEPJ-UHFFFAOYSA-N 1 1 318.381 0.651 10 0 DCAEMO CC[S@](=O)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000735091071 666950012 /nfs/dbraw/zinc/95/00/12/666950012.db2.gz VTCRSSLZFDADSQ-QRQYBIJMSA-N 1 1 319.471 0.554 10 0 DCAEMO CC[S@](=O)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000735091071 666950015 /nfs/dbraw/zinc/95/00/15/666950015.db2.gz VTCRSSLZFDADSQ-QRQYBIJMSA-N 1 1 319.471 0.554 10 0 DCAEMO O=C1OCC[C@H]1CC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120466779 667316731 /nfs/dbraw/zinc/31/67/31/667316731.db2.gz AAHNYOOZWJSAHY-GFCCVEGCSA-N 1 1 316.365 0.200 10 0 DCAEMO O=S(=O)(N1CC[C@@H](c2nccs2)C1)N1CC[NH2+]CC1 ZINC000710535700 667445824 /nfs/dbraw/zinc/44/58/24/667445824.db2.gz CMLLNHGITLAUQS-SNVBAGLBSA-N 1 1 302.425 0.082 10 0 DCAEMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000134013527 667504224 /nfs/dbraw/zinc/50/42/24/667504224.db2.gz GJDCHWVEKPBVDM-CYBMUJFWSA-N 1 1 318.439 0.497 10 0 DCAEMO C[C@@H](c1ccc(F)nc1)[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786749 669080706 /nfs/dbraw/zinc/08/07/06/669080706.db2.gz FICWEERPZNEDSX-ONGXEEELSA-N 1 1 304.329 0.919 10 0 DCAEMO C[C@@H](c1ccc(F)nc1)[N@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786749 669080712 /nfs/dbraw/zinc/08/07/12/669080712.db2.gz FICWEERPZNEDSX-ONGXEEELSA-N 1 1 304.329 0.919 10 0 DCAEMO CN(CCn1cnnn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000712612802 670149428 /nfs/dbraw/zinc/14/94/28/670149428.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 1 1 316.409 0.242 10 0 DCAEMO C[N@H+](CCn1cnnn1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000712612802 670149431 /nfs/dbraw/zinc/14/94/31/670149431.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 1 1 316.409 0.242 10 0 DCAEMO C[N@@H+](CCn1cnnn1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000712612802 670149435 /nfs/dbraw/zinc/14/94/35/670149435.db2.gz JBNSAZZEASMMAF-INIZCTEOSA-N 1 1 316.409 0.242 10 0 DCAEMO Cn1cc(C[NH2+]C[C@H]2CN(C)CCO2)c(Br)n1 ZINC000712490605 670149659 /nfs/dbraw/zinc/14/96/59/670149659.db2.gz HWKXSMBQBLCGKD-JTQLQIEISA-N 1 1 303.204 0.603 10 0 DCAEMO COCC[N@H+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@@H]1C ZINC000117322635 671193238 /nfs/dbraw/zinc/19/32/38/671193238.db2.gz ADNMLZVOHNZPTB-SOUVJXGZSA-N 1 1 321.421 0.548 10 0 DCAEMO CO[C@]1(C[NH2+]Cc2c(Cl)cnn2C)CCS(=O)(=O)C1 ZINC000721229650 685318307 /nfs/dbraw/zinc/31/83/07/685318307.db2.gz 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C[C@@H](CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CS(C)(=O)=O ZINC000249379116 416334291 /nfs/dbraw/zinc/33/42/91/416334291.db2.gz OSLIVXMDCBKQES-STQMWFEESA-N 1 1 306.472 0.444 10 0 DCAEMO C[C@@H](CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CS(C)(=O)=O ZINC000249379116 416334292 /nfs/dbraw/zinc/33/42/92/416334292.db2.gz OSLIVXMDCBKQES-STQMWFEESA-N 1 1 306.472 0.444 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000253549115 416334717 /nfs/dbraw/zinc/33/47/17/416334717.db2.gz OFLPPWOGJLNDNX-MJBXVCDLSA-N 1 1 308.426 0.862 10 0 DCAEMO C[NH2+][C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cnn(C)c1 ZINC000262275940 416336451 /nfs/dbraw/zinc/33/64/51/416336451.db2.gz WJHNQLWGUHRVQM-AWEZNQCLSA-N 1 1 315.333 0.650 10 0 DCAEMO C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000194797974 416324545 /nfs/dbraw/zinc/32/45/45/416324545.db2.gz DYMPKXRKCCUMKC-CMPLNLGQSA-N 1 1 307.419 0.747 10 0 DCAEMO C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)[N@H+]1CCc2sccc2C1 ZINC000194797974 416324547 /nfs/dbraw/zinc/32/45/47/416324547.db2.gz DYMPKXRKCCUMKC-CMPLNLGQSA-N 1 1 307.419 0.747 10 0 DCAEMO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195067163 416325030 /nfs/dbraw/zinc/32/50/30/416325030.db2.gz WGWBYFGSMGPPMP-CHWSQXEVSA-N 1 1 315.439 0.107 10 0 DCAEMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000237909417 416329289 /nfs/dbraw/zinc/32/92/89/416329289.db2.gz KKCYFIPEKXWLPS-HZPDHXFCSA-N 1 1 319.405 0.165 10 0 DCAEMO C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246322742 416331881 /nfs/dbraw/zinc/33/18/81/416331881.db2.gz DDJBNFJSXIXZJS-VXGBXAGGSA-N 1 1 323.359 0.660 10 0 DCAEMO C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246322742 416331882 /nfs/dbraw/zinc/33/18/82/416331882.db2.gz DDJBNFJSXIXZJS-VXGBXAGGSA-N 1 1 323.359 0.660 10 0 DCAEMO COC(=O)C1([N@@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CCCC1 ZINC000532741091 416454046 /nfs/dbraw/zinc/45/40/46/416454046.db2.gz BWZIPKMTASJAJT-ZIAGYGMSSA-N 1 1 315.410 0.961 10 0 DCAEMO 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/nfs/dbraw/zinc/09/59/75/303095975.db2.gz OMHVRFMNOQKBNN-SMDDNHRTSA-N 1 1 312.439 0.885 10 0 DCAEMO NC(=O)[C@]1(O)CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000368496323 303337925 /nfs/dbraw/zinc/33/79/25/303337925.db2.gz NQESJQYDSQBNQT-PBHICJAKSA-N 1 1 323.437 0.622 10 0 DCAEMO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCOCC3(CC3)C2)C[N@H+]1C1CC1 ZINC000582810911 337183200 /nfs/dbraw/zinc/18/32/00/337183200.db2.gz YWRNWBLYQUYOFM-CHWSQXEVSA-N 1 1 321.421 0.367 10 0 DCAEMO CCCC[C@H](NC(N)=O)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117285720 521232077 /nfs/dbraw/zinc/23/20/77/521232077.db2.gz FUOXZYVRJZRFMF-OLZOCXBDSA-N 1 1 314.430 0.393 10 0 DCAEMO CCCC[C@H](NC(N)=O)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117285720 521232084 /nfs/dbraw/zinc/23/20/84/521232084.db2.gz FUOXZYVRJZRFMF-OLZOCXBDSA-N 1 1 314.430 0.393 10 0 DCAEMO CNC(=O)c1cccc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000364932435 521861433 /nfs/dbraw/zinc/86/14/33/521861433.db2.gz FBTCDAAOIUHEGW-ZDUSSCGKSA-N 1 1 319.405 0.575 10 0 DCAEMO CCc1nccn1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000158331724 522579940 /nfs/dbraw/zinc/57/99/40/522579940.db2.gz JQVSLESTHIDIND-AWEZNQCLSA-N 1 1 308.426 0.919 10 0 DCAEMO COC(=O)Cn1cc(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000156208934 523391559 /nfs/dbraw/zinc/39/15/59/523391559.db2.gz SSZFJPCBKDEQFF-UONOGXRCSA-N 1 1 308.382 0.637 10 0 DCAEMO COC(=O)Cn1cc(CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)nn1 ZINC000157281395 523393205 /nfs/dbraw/zinc/39/32/05/523393205.db2.gz BNZJSNSXKWKAPL-TZMCWYRMSA-N 1 1 308.382 0.495 10 0 DCAEMO Cc1cccc(C[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1C ZINC000275769680 534709190 /nfs/dbraw/zinc/70/91/90/534709190.db2.gz RECGRJYBDFIDAA-MRXNPFEDSA-N 1 1 305.422 0.921 10 0 DCAEMO Cc1cccc(C[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1C ZINC000275769680 534709193 /nfs/dbraw/zinc/70/91/93/534709193.db2.gz RECGRJYBDFIDAA-MRXNPFEDSA-N 1 1 305.422 0.921 10 0 DCAEMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190913534 523608118 /nfs/dbraw/zinc/60/81/18/523608118.db2.gz OOXORKLTFCDTIN-UHFFFAOYSA-N 1 1 320.386 0.691 10 0 DCAEMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190913534 523608128 /nfs/dbraw/zinc/60/81/28/523608128.db2.gz OOXORKLTFCDTIN-UHFFFAOYSA-N 1 1 320.386 0.691 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCSc1nnnn1C ZINC000247411522 525087881 /nfs/dbraw/zinc/08/78/81/525087881.db2.gz QDPBQLRFBHXBCO-MNOVXSKESA-N 1 1 310.427 0.387 10 0 DCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1C ZINC000163474905 525789172 /nfs/dbraw/zinc/78/91/72/525789172.db2.gz KKTSXFKMTKVBPW-WDEREUQCSA-N 1 1 324.356 0.073 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)nc2)C[C@@H]1C ZINC000163474905 525789179 /nfs/dbraw/zinc/78/91/79/525789179.db2.gz KKTSXFKMTKVBPW-WDEREUQCSA-N 1 1 324.356 0.073 10 0 DCAEMO C[C@H](C(=O)NC[C@H]1CN(C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000111587842 526072387 /nfs/dbraw/zinc/07/23/87/526072387.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 1 1 317.433 0.880 10 0 DCAEMO C[C@H](C(=O)NC[C@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000111587842 526072391 /nfs/dbraw/zinc/07/23/91/526072391.db2.gz GPTQWQMPFKCXTG-PBHICJAKSA-N 1 1 317.433 0.880 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc4n[nH]nc43)[C@@H]2C1 ZINC000284928606 536469265 /nfs/dbraw/zinc/46/92/65/536469265.db2.gz IXYYKOVLHFEOKM-OLZOCXBDSA-N 1 1 319.340 0.642 10 0 DCAEMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc4nn[nH]c43)[C@@H]2C1 ZINC000284928606 536469266 /nfs/dbraw/zinc/46/92/66/536469266.db2.gz IXYYKOVLHFEOKM-OLZOCXBDSA-N 1 1 319.340 0.642 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc4nn[nH]c43)[C@@H]2C1 ZINC000284928606 536469270 /nfs/dbraw/zinc/46/92/70/536469270.db2.gz IXYYKOVLHFEOKM-OLZOCXBDSA-N 1 1 319.340 0.642 10 0 DCAEMO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000189256405 527596694 /nfs/dbraw/zinc/59/66/94/527596694.db2.gz LGUGUBQVFGPTSM-ZDUSSCGKSA-N 1 1 314.393 0.834 10 0 DCAEMO CCOCC[N@H+]1CCN(C(=O)CCc2nnc[nH]2)C[C@@H]1CC ZINC000177216701 528736366 /nfs/dbraw/zinc/73/63/66/528736366.db2.gz HSUOKCQFYMOTBP-ZDUSSCGKSA-N 1 1 309.414 0.697 10 0 DCAEMO CCOCC[N@H+]1CCN(c2cncc(C(N)=O)n2)C[C@H]1CC ZINC000176922362 528754917 /nfs/dbraw/zinc/75/49/17/528754917.db2.gz QQHAJMYXTBJSFH-GFCCVEGCSA-N 1 1 307.398 0.513 10 0 DCAEMO CCCc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n2ncnc2n1 ZINC000285112462 535401031 /nfs/dbraw/zinc/40/10/31/535401031.db2.gz RAEIONHWTUXPMX-UONOGXRCSA-N 1 1 316.409 0.986 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC000121260966 535574978 /nfs/dbraw/zinc/57/49/78/535574978.db2.gz QFQBKEYCGLPHBZ-GJZGRUSLSA-N 1 1 310.442 0.981 10 0 DCAEMO O=C(Cn1nnc2ccccc2c1=O)N1CC[NH+](C2CC2)CC1 ZINC000124829340 545761791 /nfs/dbraw/zinc/76/17/91/545761791.db2.gz OTAKTLGPRXAQTN-UHFFFAOYSA-N 1 1 313.361 0.098 10 0 DCAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)NCCCN1CCCC1=O ZINC000177763002 545893211 /nfs/dbraw/zinc/89/32/11/545893211.db2.gz XNDNUHPRUVLLMF-HNNXBMFYSA-N 1 1 322.453 0.285 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CC[N@@H+]1CCO ZINC000188879726 545918115 /nfs/dbraw/zinc/91/81/15/545918115.db2.gz RTYWRUVOYVAXNL-LLVKDONJSA-N 1 1 305.382 0.884 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)CC[N@H+]1CCO ZINC000188879726 545918120 /nfs/dbraw/zinc/91/81/20/545918120.db2.gz RTYWRUVOYVAXNL-LLVKDONJSA-N 1 1 305.382 0.884 10 0 DCAEMO CCOc1cnc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000189893787 545923415 /nfs/dbraw/zinc/92/34/15/545923415.db2.gz YWAPZOHRKCEURY-NWDGAFQWSA-N 1 1 308.382 0.402 10 0 DCAEMO CCOc1cnc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000189893787 545923420 /nfs/dbraw/zinc/92/34/20/545923420.db2.gz YWAPZOHRKCEURY-NWDGAFQWSA-N 1 1 308.382 0.402 10 0 DCAEMO Cc1nnc2n1C[C@@H](CNC(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000332875626 546064180 /nfs/dbraw/zinc/06/41/80/546064180.db2.gz DCPKLUHJRQGNDH-ZIAGYGMSSA-N 1 1 318.425 0.639 10 0 DCAEMO Cc1ccc2[nH]c(CNC(=O)NC[C@@]3(O)CC[N@H+](C)C3)nc2c1 ZINC000358697898 546193711 /nfs/dbraw/zinc/19/37/11/546193711.db2.gz CKTGGAGURBRUHT-INIZCTEOSA-N 1 1 317.393 0.737 10 0 DCAEMO Cc1ccc2nc(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)[nH]c2c1 ZINC000358697898 546193716 /nfs/dbraw/zinc/19/37/16/546193716.db2.gz CKTGGAGURBRUHT-INIZCTEOSA-N 1 1 317.393 0.737 10 0 DCAEMO Cc1ccc2nc(CNC(=O)NC[C@@]3(O)CC[N@H+](C)C3)[nH]c2c1 ZINC000358697898 546193720 /nfs/dbraw/zinc/19/37/20/546193720.db2.gz CKTGGAGURBRUHT-INIZCTEOSA-N 1 1 317.393 0.737 10 0 DCAEMO O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000671492574 547226117 /nfs/dbraw/zinc/22/61/17/547226117.db2.gz UIKHCNZENQREGQ-INIZCTEOSA-N 1 1 316.361 0.686 10 0 DCAEMO Cc1cc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1C ZINC000888095003 661164079 /nfs/dbraw/zinc/16/40/79/661164079.db2.gz PAECTDCBLPGDMQ-AIANPOQGSA-N 1 1 320.437 0.938 10 0 DCAEMO CC(C)CN1C(=O)C(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000247241187 657528695 /nfs/dbraw/zinc/52/86/95/657528695.db2.gz ZFIUGTNMXUUJPZ-LBPRGKRZSA-N 1 1 308.382 0.171 10 0 DCAEMO COCC[N@H+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H]1C ZINC000246966776 658512660 /nfs/dbraw/zinc/51/26/60/658512660.db2.gz DPYNTGMTQXMFHY-WBMJQRKESA-N 1 1 324.425 0.317 10 0 DCAEMO C#CCNC(=O)c1ccc(N2CCN(c3[nH+]ccn3C)CC2)nc1 ZINC000075053075 658528862 /nfs/dbraw/zinc/52/88/62/658528862.db2.gz CTUNUENQQONDMF-UHFFFAOYSA-N 1 1 324.388 0.505 10 0 DCAEMO CCn1cc(CC[N@H+]2CCC[C@](O)(Cc3nncn3C)C2)cn1 ZINC000888077431 658720548 /nfs/dbraw/zinc/72/05/48/658720548.db2.gz BBOHREYVMJFQAE-INIZCTEOSA-N 1 1 318.425 0.644 10 0 DCAEMO CO[C@@H]1C[N@@H+](Cc2cnc(N(C)C)n2C)C[C@H]1c1cn(C)nn1 ZINC000888078502 658726141 /nfs/dbraw/zinc/72/61/41/658726141.db2.gz WXIPIWQBVINXFB-GXTWGEPZSA-N 1 1 319.413 0.229 10 0 DCAEMO COC(=O)[C@H]1CCC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176763529 658871744 /nfs/dbraw/zinc/87/17/44/658871744.db2.gz WNAMKSIPUFFDPR-ZDUSSCGKSA-N 1 1 310.394 0.858 10 0 DCAEMO COC(=O)[C@H]1CCC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000176763529 658871752 /nfs/dbraw/zinc/87/17/52/658871752.db2.gz WNAMKSIPUFFDPR-ZDUSSCGKSA-N 1 1 310.394 0.858 10 0 DCAEMO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000261965094 661933783 /nfs/dbraw/zinc/93/37/83/661933783.db2.gz ASHBIBOLRIEHBH-CYBMUJFWSA-N 1 1 324.469 0.433 10 0 DCAEMO CCOCC[N@H+]1CCN(C(=O)C[C@H]2COC(=O)C2)C[C@@H]1CC ZINC000152200636 662489399 /nfs/dbraw/zinc/48/93/99/662489399.db2.gz KMNFUSHEFOVMAB-KGLIPLIRSA-N 1 1 312.410 0.899 10 0 DCAEMO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915529 663114215 /nfs/dbraw/zinc/11/42/15/663114215.db2.gz POXCFEXHLUVBTE-STQMWFEESA-N 1 1 303.362 0.930 10 0 DCAEMO C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900939600 663295978 /nfs/dbraw/zinc/29/59/78/663295978.db2.gz AJXKQCATVIOMIS-HFAKWTLXSA-N 1 1 300.399 0.630 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1c1cn[nH]n1 ZINC000911355736 664035412 /nfs/dbraw/zinc/03/54/12/664035412.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355736 664035414 /nfs/dbraw/zinc/03/54/14/664035414.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355736 664035415 /nfs/dbraw/zinc/03/54/15/664035415.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355736 664035419 /nfs/dbraw/zinc/03/54/19/664035419.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355736 664035420 /nfs/dbraw/zinc/03/54/20/664035420.db2.gz QUGYFAUQBDCLKV-NZBPQXDJSA-N 1 1 319.409 0.762 10 0 DCAEMO CCN1C(=O)CN(C[NH+]2CCC(c3ccnn3C)CC2)C1=O ZINC000152200213 664740170 /nfs/dbraw/zinc/74/01/70/664740170.db2.gz OSDBIXXTFBNQMP-UHFFFAOYSA-N 1 1 305.382 0.841 10 0 DCAEMO O=C(NCCNc1cc[nH+]cc1)c1nnc2ccccc2c1O ZINC000732274612 664911054 /nfs/dbraw/zinc/91/10/54/664911054.db2.gz WUOPCHKVTUDRKW-UHFFFAOYSA-N 1 1 309.329 0.994 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000074057269 666660742 /nfs/dbraw/zinc/66/07/42/666660742.db2.gz URQFVEZQFHJFGU-KGLIPLIRSA-N 1 1 312.410 0.755 10 0 DCAEMO CC[S@](=O)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000735091070 666949789 /nfs/dbraw/zinc/94/97/89/666949789.db2.gz VTCRSSLZFDADSQ-BYVOGVQKSA-N 1 1 319.471 0.554 10 0 DCAEMO C[C@H](C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306775 667080795 /nfs/dbraw/zinc/08/07/95/667080795.db2.gz UHXGDSKCUGNXQH-ZJUUUORDSA-N 1 1 308.400 0.560 10 0 DCAEMO C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ncn(C)n1 ZINC000391898831 1157722955 /nfs/dbraw/zinc/72/29/55/1157722955.db2.gz GDDYHIPXVFTODA-MNOVXSKESA-N 1 1 301.416 0.137 10 0 DCAEMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709779809 667444950 /nfs/dbraw/zinc/44/49/50/667444950.db2.gz BVKAECOBBWWHOQ-JKSUJKDBSA-N 1 1 306.406 0.710 10 0 DCAEMO CO[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)C[C@H]1c1cn(C)nn1 ZINC000886094211 667731830 /nfs/dbraw/zinc/73/18/30/667731830.db2.gz UTBXMIKXFGXVGV-WCQYABFASA-N 1 1 313.365 0.652 10 0 DCAEMO CCN(CCS(C)(=O)=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000123241460 667751042 /nfs/dbraw/zinc/75/10/42/667751042.db2.gz YOUYRSQBZYOXBI-STQMWFEESA-N 1 1 319.471 0.791 10 0 DCAEMO C[C@@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)CC[N@H+]1CCO ZINC000187723196 669949685 /nfs/dbraw/zinc/94/96/85/669949685.db2.gz OWUNVNIJGUVHKB-GFCCVEGCSA-N 1 1 318.373 0.997 10 0 DCAEMO COC(=O)N(C)CC[NH2+]Cc1cn(C)nc1Br ZINC000712461526 670148827 /nfs/dbraw/zinc/14/88/27/670148827.db2.gz ZGQQUNHDXZHIDR-UHFFFAOYSA-N 1 1 305.176 0.970 10 0 DCAEMO O[C@@]1(CNCCc2csc(-c3ncccn3)n2)CC[NH2+]C1 ZINC000077505526 670427199 /nfs/dbraw/zinc/42/71/99/670427199.db2.gz UFUUEQOBGZEVKJ-CQSZACIVSA-N 1 1 305.407 0.457 10 0 DCAEMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000104074869 671906094 /nfs/dbraw/zinc/90/60/94/671906094.db2.gz JTYVTEJMMWHZGS-QWRGUYRKSA-N 1 1 318.377 0.310 10 0 DCAEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000104074869 671906096 /nfs/dbraw/zinc/90/60/96/671906096.db2.gz JTYVTEJMMWHZGS-QWRGUYRKSA-N 1 1 318.377 0.310 10 0 DCAEMO Cc1nc(C)c(C[NH2+]CCS(=O)(=O)N2CCOCC2)o1 ZINC000380463794 685238015 /nfs/dbraw/zinc/23/80/15/685238015.db2.gz PRQAZBBYTAESLZ-UHFFFAOYSA-N 1 1 303.384 0.043 10 0 DCAEMO COCCOCCOCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000383420733 685242596 /nfs/dbraw/zinc/24/25/96/685242596.db2.gz CIBFULSOPCCUAF-LLVKDONJSA-N 1 1 301.305 0.665 10 0 DCAEMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2N)CC1 ZINC000040335989 1157395463 /nfs/dbraw/zinc/39/54/63/1157395463.db2.gz KWFZMNXEGDSZBL-UHFFFAOYSA-N 1 1 310.785 0.602 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C)C1 ZINC000248822976 1183435670 /nfs/dbraw/zinc/43/56/70/1183435670.db2.gz CCOFPPGOSJLGMC-STQMWFEESA-N 1 1 317.393 0.345 10 0 DCAEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000249828898 1183485006 /nfs/dbraw/zinc/48/50/06/1183485006.db2.gz MRJANRSVWUZHCK-RYUDHWBXSA-N 1 1 310.398 0.211 10 0 DCAEMO C[NH+](C)CCCOC1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000177250400 1184226350 /nfs/dbraw/zinc/22/63/50/1184226350.db2.gz NUNJUCLDUWMETE-UHFFFAOYSA-N 1 1 309.414 0.697 10 0 DCAEMO COCC[N@@H+](C)C[C@H](O)CN1CCC=C(Br)C1 ZINC000404407274 747458952 /nfs/dbraw/zinc/45/89/52/747458952.db2.gz MQWXZAXZNIXCRE-LBPRGKRZSA-N 1 1 307.232 0.910 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000179397115 529508417 /nfs/dbraw/zinc/50/84/17/529508417.db2.gz KCOSEJRAWPTERC-CABCVRRESA-N 1 1 311.426 0.160 10 0 DCAEMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CC1(CO)CC1 ZINC000188952678 282271147 /nfs/dbraw/zinc/27/11/47/282271147.db2.gz PYQBHPYWDZWULG-UHFFFAOYSA-N 1 1 308.426 0.769 10 0 DCAEMO COCCN1C[C@@H](C(=O)N2CCC[N@H+](C3CC3)CC2)CC1=O ZINC000148990558 186046708 /nfs/dbraw/zinc/04/67/08/186046708.db2.gz ZQLYULCZBPWWQS-ZDUSSCGKSA-N 1 1 309.410 0.178 10 0 DCAEMO C[C@H]1CN(C(=O)NCCc2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000175653248 186185130 /nfs/dbraw/zinc/18/51/30/186185130.db2.gz UGVMNZTYNZZRMU-GOEBONIOSA-N 1 1 318.421 0.986 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000172059258 198032997 /nfs/dbraw/zinc/03/29/97/198032997.db2.gz DAVSCISGOWAXQN-NWDGAFQWSA-N 1 1 300.366 0.362 10 0 DCAEMO Cc1cc(N2CC[C@@H]([NH+]3CCC([C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727138 198245325 /nfs/dbraw/zinc/24/53/25/198245325.db2.gz BZRZQHBOECUEOK-TZMCWYRMSA-N 1 1 306.410 0.927 10 0 DCAEMO Cc1cc(N2CC[C@@H]([NH+]3CCC([C@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727161 198245465 /nfs/dbraw/zinc/24/54/65/198245465.db2.gz BZRZQHBOECUEOK-GXTWGEPZSA-N 1 1 306.410 0.927 10 0 DCAEMO CN1CCO[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccccc32)C1 ZINC000245444118 283025015 /nfs/dbraw/zinc/02/50/15/283025015.db2.gz JJHJSCCFIUUFTR-OCCSQVGLSA-N 1 1 310.419 0.825 10 0 DCAEMO CC[C@@H](CNC(=O)[C@H]1COCCN1)[N@H+]1CCc2ccccc2C1 ZINC000236973568 202103739 /nfs/dbraw/zinc/10/37/39/202103739.db2.gz SAVBPUJLLZCNCZ-DLBZAZTESA-N 1 1 317.433 0.928 10 0 DCAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(=O)N1CCOCC1 ZINC000181084318 199249771 /nfs/dbraw/zinc/24/97/71/199249771.db2.gz VFUQOUYUEZPYSH-OAHLLOKOSA-N 1 1 319.405 0.134 10 0 DCAEMO Cc1cc(C)n([C@H](C)C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000186984575 200043375 /nfs/dbraw/zinc/04/33/75/200043375.db2.gz GRXAAHUVMXNEBA-RRFJBIMHSA-N 1 1 308.426 0.974 10 0 DCAEMO Cc1cc(C)n([C@H](C)C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000186984575 200043376 /nfs/dbraw/zinc/04/33/76/200043376.db2.gz GRXAAHUVMXNEBA-RRFJBIMHSA-N 1 1 308.426 0.974 10 0 DCAEMO OCC[N@@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000178391831 237228148 /nfs/dbraw/zinc/22/81/48/237228148.db2.gz XTRSITZOAAXCIB-SJLPKXTDSA-N 1 1 320.433 0.661 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC[N@@H+]1CCO ZINC000188871662 237379922 /nfs/dbraw/zinc/37/99/22/237379922.db2.gz VWFGVDFHMBJOMW-SNVBAGLBSA-N 1 1 324.356 0.455 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(F)c2)CC[N@H+]1CCO ZINC000188871662 237379926 /nfs/dbraw/zinc/37/99/26/237379926.db2.gz VWFGVDFHMBJOMW-SNVBAGLBSA-N 1 1 324.356 0.455 10 0 DCAEMO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188773683 237380124 /nfs/dbraw/zinc/38/01/24/237380124.db2.gz MQVGSFLTYLXQJB-LBPRGKRZSA-N 1 1 320.393 0.624 10 0 DCAEMO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188773683 237380129 /nfs/dbraw/zinc/38/01/29/237380129.db2.gz MQVGSFLTYLXQJB-LBPRGKRZSA-N 1 1 320.393 0.624 10 0 DCAEMO CC(C)n1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1 ZINC000188107442 200195081 /nfs/dbraw/zinc/19/50/81/200195081.db2.gz AFDWVAVWPANHBT-OAHLLOKOSA-N 1 1 310.398 0.277 10 0 DCAEMO Cc1nn(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1Cl ZINC000188729812 200295842 /nfs/dbraw/zinc/29/58/42/200295842.db2.gz CCLYTVMSOXDBHI-JTQLQIEISA-N 1 1 314.817 0.678 10 0 DCAEMO Cc1nn(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1Cl ZINC000188729812 200295844 /nfs/dbraw/zinc/29/58/44/200295844.db2.gz CCLYTVMSOXDBHI-JTQLQIEISA-N 1 1 314.817 0.678 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000154542011 291214343 /nfs/dbraw/zinc/21/43/43/291214343.db2.gz OYAMPJHZZACIQN-ZDUSSCGKSA-N 1 1 322.413 0.463 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CCOCC1 ZINC000246698577 238160387 /nfs/dbraw/zinc/16/03/87/238160387.db2.gz ZGLWLMUYLWCWPN-OCCSQVGLSA-N 1 1 302.440 0.911 10 0 DCAEMO C[C@@H](NC(=O)C[N@H+]1CCC2(CCOCC2)[C@H]1C)C(=O)N(C)C ZINC000368832493 296047502 /nfs/dbraw/zinc/04/75/02/296047502.db2.gz FGHLWZFSBDHORM-CHWSQXEVSA-N 1 1 311.426 0.470 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000568015201 291397832 /nfs/dbraw/zinc/39/78/32/291397832.db2.gz OVLBKDUFWHHDDJ-SOUVJXGZSA-N 1 1 301.383 0.034 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCOC[C@]12CCOC2 ZINC000568015201 291397834 /nfs/dbraw/zinc/39/78/34/291397834.db2.gz OVLBKDUFWHHDDJ-SOUVJXGZSA-N 1 1 301.383 0.034 10 0 DCAEMO COC(=O)CCNC(=O)C[N@H+](C)CCOc1ccc(C)cc1 ZINC000016422034 182043847 /nfs/dbraw/zinc/04/38/47/182043847.db2.gz GWFPJISDLFBMDO-UHFFFAOYSA-N 1 1 308.378 0.985 10 0 DCAEMO COC(=O)CCNC(=O)C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000016422034 182043849 /nfs/dbraw/zinc/04/38/49/182043849.db2.gz GWFPJISDLFBMDO-UHFFFAOYSA-N 1 1 308.378 0.985 10 0 DCAEMO C[C@@H](NC(=O)[C@H]([NH3+])CC(N)=O)c1cccc(Br)c1 ZINC000037626927 182915045 /nfs/dbraw/zinc/91/50/45/182915045.db2.gz SRFNCZCGDYFUIM-GMSGAONNSA-N 1 1 314.183 0.829 10 0 DCAEMO COc1ccccc1CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000104708847 194029722 /nfs/dbraw/zinc/02/97/22/194029722.db2.gz BVDDCPVEVMJPMF-ZDUSSCGKSA-N 1 1 321.421 0.762 10 0 DCAEMO COc1ccccc1CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000104708847 194029723 /nfs/dbraw/zinc/02/97/23/194029723.db2.gz BVDDCPVEVMJPMF-ZDUSSCGKSA-N 1 1 321.421 0.762 10 0 DCAEMO COCC[N@H+]1CCN(Cc2cc(=O)n3ccsc3n2)C[C@H]1C ZINC000105831769 194139180 /nfs/dbraw/zinc/13/91/80/194139180.db2.gz HUXWONCMPGTJSV-GFCCVEGCSA-N 1 1 322.434 0.909 10 0 DCAEMO COCC[N@H+]1CCN(Cc2cc(=O)n3ccccc3n2)C[C@H]1C ZINC000105832746 194140535 /nfs/dbraw/zinc/14/05/35/194140535.db2.gz MBCAYXTUYDODBC-CQSZACIVSA-N 1 1 316.405 0.847 10 0 DCAEMO O=C(CN1CCCCC1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110954267 194373034 /nfs/dbraw/zinc/37/30/34/194373034.db2.gz SKWDSIFYQKMKTA-HNNXBMFYSA-N 1 1 323.437 0.712 10 0 DCAEMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000058942956 184132663 /nfs/dbraw/zinc/13/26/63/184132663.db2.gz SYHIDNZGJLIFTN-HOCLYGCPSA-N 1 1 324.469 0.387 10 0 DCAEMO CC[N@H+]1CC[C@@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nncn2C)C1 ZINC000333615715 252743965 /nfs/dbraw/zinc/74/39/65/252743965.db2.gz SQSXNXMBKMZJHL-UPJWGTAASA-N 1 1 322.413 0.381 10 0 DCAEMO CCOC(=O)CN1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119614038 195002451 /nfs/dbraw/zinc/00/24/51/195002451.db2.gz WSJLOQNUKSCCOT-UHFFFAOYSA-N 1 1 311.426 0.426 10 0 DCAEMO CC[N@H+]1CCCN(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1 ZINC000408237940 285224948 /nfs/dbraw/zinc/22/49/48/285224948.db2.gz VGOJRYDQYUPGFS-CHWSQXEVSA-N 1 1 305.444 0.368 10 0 DCAEMO 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ZINC000580905589 396510114 /nfs/dbraw/zinc/51/01/14/396510114.db2.gz MWZPFVGFRZKYRO-HUUCEWRRSA-N 1 1 321.425 0.676 10 0 DCAEMO CCOc1ccncc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000289272363 396457927 /nfs/dbraw/zinc/45/79/27/396457927.db2.gz ZRMGUUVQSFPJIT-LBPRGKRZSA-N 1 1 311.407 0.949 10 0 DCAEMO CC(=O)CC[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292644622 396561086 /nfs/dbraw/zinc/56/10/86/396561086.db2.gz HODWRCFMXUGFHV-UHFFFAOYSA-N 1 1 300.380 0.624 10 0 DCAEMO Cc1nnc(CN(C)[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)o1 ZINC000328626535 396824821 /nfs/dbraw/zinc/82/48/21/396824821.db2.gz FEVBHZUPFNNZOJ-CHWSQXEVSA-N 1 1 323.422 0.820 10 0 DCAEMO Cc1nnc(CN(C)[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)o1 ZINC000328626535 396824828 /nfs/dbraw/zinc/82/48/28/396824828.db2.gz FEVBHZUPFNNZOJ-CHWSQXEVSA-N 1 1 323.422 0.820 10 0 DCAEMO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCc2nccn2C1 ZINC000328638158 396829108 /nfs/dbraw/zinc/82/91/08/396829108.db2.gz OZFLHCPAMQNMCH-HUUCEWRRSA-N 1 1 308.426 0.070 10 0 DCAEMO 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ZINC000278928424 415511212 /nfs/dbraw/zinc/51/12/12/415511212.db2.gz SKCPTWLHSKHTGK-MLGOLLRUSA-N 1 1 317.393 0.046 10 0 DCAEMO Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)n(C)n1 ZINC000278928424 415511219 /nfs/dbraw/zinc/51/12/19/415511219.db2.gz SKCPTWLHSKHTGK-MLGOLLRUSA-N 1 1 317.393 0.046 10 0 DCAEMO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000333024774 415534575 /nfs/dbraw/zinc/53/45/75/415534575.db2.gz KIVXJIAKAHYMLR-JJRVBVJISA-N 1 1 321.421 0.368 10 0 DCAEMO Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000106538732 415643834 /nfs/dbraw/zinc/64/38/34/415643834.db2.gz SZPUFTGTEPNRSJ-AWEZNQCLSA-N 1 1 305.426 0.825 10 0 DCAEMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000111212877 415691219 /nfs/dbraw/zinc/69/12/19/415691219.db2.gz CQLFARHFHGJKES-ZDUSSCGKSA-N 1 1 320.393 0.495 10 0 DCAEMO Cn1nc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1C1CC1 ZINC000289879783 415730472 /nfs/dbraw/zinc/73/04/72/415730472.db2.gz AMPYZUPDJOVYLN-GFCCVEGCSA-N 1 1 317.393 0.543 10 0 DCAEMO CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCN1C[C@@H](C)O ZINC000333798047 415740981 /nfs/dbraw/zinc/74/09/81/415740981.db2.gz HIMUNBZZUYSQKC-QLFBSQMISA-N 1 1 312.458 0.615 10 0 DCAEMO Cc1[nH+]ccn1CC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 ZINC000333959614 415770915 /nfs/dbraw/zinc/77/09/15/415770915.db2.gz KFRKKIUKQRDGFM-OAHLLOKOSA-N 1 1 306.410 0.761 10 0 DCAEMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000120601434 415773776 /nfs/dbraw/zinc/77/37/76/415773776.db2.gz FILZPAYVIJAKPA-QWHCGFSZSA-N 1 1 320.393 0.242 10 0 DCAEMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cn1 ZINC000120601434 415773781 /nfs/dbraw/zinc/77/37/81/415773781.db2.gz FILZPAYVIJAKPA-QWHCGFSZSA-N 1 1 320.393 0.242 10 0 DCAEMO Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000119904820 415752985 /nfs/dbraw/zinc/75/29/85/415752985.db2.gz OLAUFPCQWSDGHL-AWEZNQCLSA-N 1 1 323.441 0.944 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000122673230 415834859 /nfs/dbraw/zinc/83/48/59/415834859.db2.gz DLFDCVSQBPUMRC-ZIAGYGMSSA-N 1 1 319.471 0.494 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)N2CCCCC2)CC[N@H+]1C[C@@H](C)O ZINC000122673230 415834863 /nfs/dbraw/zinc/83/48/63/415834863.db2.gz DLFDCVSQBPUMRC-ZIAGYGMSSA-N 1 1 319.471 0.494 10 0 DCAEMO CC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3nc(C)no3)C2)C1 ZINC000334122893 415810560 /nfs/dbraw/zinc/81/05/60/415810560.db2.gz MTBOCMGKRGDXRM-CHWSQXEVSA-N 1 1 322.413 0.470 10 0 DCAEMO O=C([C@@H]1C[C@@H](F)C[N@@H+]1CC1CCOCC1)N1CCOCC1 ZINC000344541140 415943209 /nfs/dbraw/zinc/94/32/09/415943209.db2.gz UYCRINCEASWXQR-KGLIPLIRSA-N 1 1 300.374 0.684 10 0 DCAEMO Cc1ccc(N2CCC[N@@H+](CCCC(=O)NC(N)=O)CC2)nn1 ZINC000171550532 416041161 /nfs/dbraw/zinc/04/11/61/416041161.db2.gz UPGBEYBZNYXIES-UHFFFAOYSA-N 1 1 320.397 0.272 10 0 DCAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOCC3)C2)C1 ZINC000173884854 416068183 /nfs/dbraw/zinc/06/81/83/416068183.db2.gz MSTBYJRBLKSZJR-HOTGVXAUSA-N 1 1 324.469 0.834 10 0 DCAEMO 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/nfs/dbraw/zinc/11/37/91/416113791.db2.gz LVUZRLOKAFXWQP-SDDRHHMPSA-N 1 1 313.316 0.542 10 0 DCAEMO O=S1(=O)CC[C@H](Nc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000328627066 416122991 /nfs/dbraw/zinc/12/29/91/416122991.db2.gz FTVDMRVTZIQTEH-MNOVXSKESA-N 1 1 312.395 0.667 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000176367916 416124707 /nfs/dbraw/zinc/12/47/07/416124707.db2.gz BLMMJHORTZVFBT-NEPJUHHUSA-N 1 1 303.428 0.299 10 0 DCAEMO C[C@H]1CN(c2ncnc3c2cnn3C)C[C@@H]1[NH+]1CCOCC1 ZINC000176705126 416133530 /nfs/dbraw/zinc/13/35/30/416133530.db2.gz RCKZZFAFWANNBL-AAEUAGOBSA-N 1 1 302.382 0.520 10 0 DCAEMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c[nH]c(=O)cc2C)CC1 ZINC000177031326 416140982 /nfs/dbraw/zinc/14/09/82/416140982.db2.gz HHHVWJRILNAZET-GFCCVEGCSA-N 1 1 321.377 0.393 10 0 DCAEMO CNC(=O)Cc1nc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)cs1 ZINC000177443691 416146947 /nfs/dbraw/zinc/14/69/47/416146947.db2.gz MIZPAOPACFGMLX-AWEZNQCLSA-N 1 1 311.407 0.817 10 0 DCAEMO CNC(=O)Cc1nc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)cs1 ZINC000177443691 416146950 /nfs/dbraw/zinc/14/69/50/416146950.db2.gz MIZPAOPACFGMLX-AWEZNQCLSA-N 1 1 311.407 0.817 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCN1C(=O)CCC1=O ZINC000177492344 416147230 /nfs/dbraw/zinc/14/72/30/416147230.db2.gz MTNFYEFTEPACSL-ZDUSSCGKSA-N 1 1 324.425 0.651 10 0 DCAEMO CCC[C@@H](O)CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000177859859 416152408 /nfs/dbraw/zinc/15/24/08/416152408.db2.gz SVFFRQCIFPIWRP-CQSZACIVSA-N 1 1 308.426 0.909 10 0 DCAEMO CCC[N@@H+](CC)CCNC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000177804555 416152575 /nfs/dbraw/zinc/15/25/75/416152575.db2.gz UBURLBBQCMZOHS-LBPRGKRZSA-N 1 1 305.444 0.547 10 0 DCAEMO CCN1CC[NH+](CCC(=O)N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC000357921460 416152726 /nfs/dbraw/zinc/15/27/26/416152726.db2.gz MCKYMHNAWNTGLM-AWEZNQCLSA-N 1 1 310.442 0.093 10 0 DCAEMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177940086 416154209 /nfs/dbraw/zinc/15/42/09/416154209.db2.gz 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ZINC000178746827 416170534 /nfs/dbraw/zinc/17/05/34/416170534.db2.gz BEYXZTDEBOQQOP-OAHLLOKOSA-N 1 1 321.425 0.909 10 0 DCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC000329577449 416177687 /nfs/dbraw/zinc/17/76/87/416177687.db2.gz WBEIJAXKRUWUBI-HRCADAONSA-N 1 1 323.437 0.709 10 0 DCAEMO O[C@H](COc1ccccc1)C[NH+]1CCN(Cc2c[nH]cn2)CC1 ZINC000179539638 416189360 /nfs/dbraw/zinc/18/93/60/416189360.db2.gz OQGPUGZXFBPWAU-INIZCTEOSA-N 1 1 316.405 0.967 10 0 DCAEMO COC(=O)CSCCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358161211 416204613 /nfs/dbraw/zinc/20/46/13/416204613.db2.gz DVCLKVYXGVPQCK-UHFFFAOYSA-N 1 1 315.439 0.844 10 0 DCAEMO COC(=O)NCCCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181384484 416206679 /nfs/dbraw/zinc/20/66/79/416206679.db2.gz LSRWRKUZGKWQOY-GFCCVEGCSA-N 1 1 309.370 0.029 10 0 DCAEMO C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C1 ZINC000181503157 416207627 /nfs/dbraw/zinc/20/76/27/416207627.db2.gz GURRZYSFOYWRII-KGLIPLIRSA-N 1 1 312.410 0.899 10 0 DCAEMO C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C1 ZINC000181503157 416207629 /nfs/dbraw/zinc/20/76/29/416207629.db2.gz GURRZYSFOYWRII-KGLIPLIRSA-N 1 1 312.410 0.899 10 0 DCAEMO CC1(C)CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@]2(CCOC2)O1 ZINC000358236526 416216726 /nfs/dbraw/zinc/21/67/26/416216726.db2.gz OSLPWLJXGDLPPU-YOEHRIQHSA-N 1 1 323.437 0.173 10 0 DCAEMO COCCCCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185801131 416254454 /nfs/dbraw/zinc/25/44/54/416254454.db2.gz IDTPVWMQEIQGGC-UONOGXRCSA-N 1 1 301.431 0.900 10 0 DCAEMO OC[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000186517567 416256605 /nfs/dbraw/zinc/25/66/05/416256605.db2.gz BRKFUMJFTLTYSI-KKUMJFAQSA-N 1 1 315.797 0.645 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000189537675 416265290 /nfs/dbraw/zinc/26/52/90/416265290.db2.gz WYFBLYKDNMAVJZ-WDEREUQCSA-N 1 1 313.361 0.627 10 0 DCAEMO COCCO[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000189732332 416270189 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10 0 DCAEMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000156561694 1180557243 /nfs/dbraw/zinc/55/72/43/1180557243.db2.gz FQLQONHFRZNWPB-ZDUSSCGKSA-N 1 1 307.398 0.765 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000175727000 1184112616 /nfs/dbraw/zinc/11/26/16/1184112616.db2.gz GAWYZUXLPKODCN-UKRRQHHQSA-N 1 1 324.469 0.372 10 0 DCAEMO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cnn[nH]1 ZINC000397574092 1190703618 /nfs/dbraw/zinc/70/36/18/1190703618.db2.gz BCZMPDFZDGFOJD-UHFFFAOYSA-N 1 1 315.377 0.562 10 0 DCAEMO CN(C)S(=O)(=O)CCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408041859 282153914 /nfs/dbraw/zinc/15/39/14/282153914.db2.gz IUVUQXPSXSMWLV-BFHYXJOUSA-N 1 1 320.455 0.130 10 0 DCAEMO CN(C)S(=O)(=O)CCC[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000408041859 282153917 /nfs/dbraw/zinc/15/39/17/282153917.db2.gz IUVUQXPSXSMWLV-BFHYXJOUSA-N 1 1 320.455 0.130 10 0 DCAEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCn2ccnn2)C1 ZINC000182462759 529799155 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/nfs/dbraw/zinc/38/03/30/237380330.db2.gz IPPAGRNFFHAZGA-LBPRGKRZSA-N 1 1 322.409 0.795 10 0 DCAEMO C[C@H]1CN(C(=O)CCCc2nc(C3CC3)no2)CC[N@H+]1CCO ZINC000188801458 237380333 /nfs/dbraw/zinc/38/03/33/237380333.db2.gz IPPAGRNFFHAZGA-LBPRGKRZSA-N 1 1 322.409 0.795 10 0 DCAEMO CC(=O)N[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)C1CCCC1 ZINC000188687524 200288116 /nfs/dbraw/zinc/28/81/16/200288116.db2.gz LVCSIWNETFUZHP-IUODEOHRSA-N 1 1 311.426 0.206 10 0 DCAEMO CC(=O)N[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C1CCCC1 ZINC000188687524 200288118 /nfs/dbraw/zinc/28/81/18/200288118.db2.gz LVCSIWNETFUZHP-IUODEOHRSA-N 1 1 311.426 0.206 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)ccn(C)c1=O ZINC000155474960 291219926 /nfs/dbraw/zinc/21/99/26/291219926.db2.gz FSKHNTRUALNRLS-ZDUSSCGKSA-N 1 1 322.409 0.926 10 0 DCAEMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(N(C)C)nc2)CC1 ZINC000163739377 291247055 /nfs/dbraw/zinc/24/70/55/291247055.db2.gz QBALUKFQXCRKOW-UHFFFAOYSA-N 1 1 320.397 0.034 10 0 DCAEMO 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0.820 10 0 DCAEMO COc1cc(C#N)ccc1C[NH+]1CCC([C@@H](O)C(N)=O)CC1 ZINC000299753558 533494709 /nfs/dbraw/zinc/49/47/09/533494709.db2.gz YPHUFGXAGGIZTP-OAHLLOKOSA-N 1 1 303.362 0.625 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000188718644 533638233 /nfs/dbraw/zinc/63/82/33/533638233.db2.gz MEKDBDFXICHQKM-CYBMUJFWSA-N 1 1 308.378 0.599 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000188718644 533638241 /nfs/dbraw/zinc/63/82/41/533638241.db2.gz MEKDBDFXICHQKM-CYBMUJFWSA-N 1 1 308.378 0.599 10 0 DCAEMO Cn1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c([C@@H]2CCOC2)n1 ZINC000275435970 130321304 /nfs/dbraw/zinc/32/13/04/130321304.db2.gz FJHZVVHTKCVGPI-CHWSQXEVSA-N 1 1 304.394 0.844 10 0 DCAEMO C[C@@H]1CN(C(=O)c2cccn(C)c2=O)CC[N@H+]1CC(C)(C)O ZINC000275588259 130342113 /nfs/dbraw/zinc/34/21/13/130342113.db2.gz KYJUJHPPTAJYJX-GFCCVEGCSA-N 1 1 307.394 0.303 10 0 DCAEMO Cc1cc(O)cc(=O)n1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000275699413 130366165 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/nfs/dbraw/zinc/01/69/42/160016942.db2.gz YHWLRJZDTRUCDL-VXGBXAGGSA-N 1 1 300.380 0.682 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)[N@H+](C)C1 ZINC000408035616 160018892 /nfs/dbraw/zinc/01/88/92/160018892.db2.gz NCMXGBWOXBOJTO-CRWXNKLISA-N 1 1 311.426 0.611 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)[N@@H+](C)C1 ZINC000408035616 160018895 /nfs/dbraw/zinc/01/88/95/160018895.db2.gz NCMXGBWOXBOJTO-CRWXNKLISA-N 1 1 311.426 0.611 10 0 DCAEMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000408064763 160026655 /nfs/dbraw/zinc/02/66/55/160026655.db2.gz WIMNESMMVUKYLR-NSHDSACASA-N 1 1 311.407 0.419 10 0 DCAEMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000408064763 160026656 /nfs/dbraw/zinc/02/66/56/160026656.db2.gz WIMNESMMVUKYLR-NSHDSACASA-N 1 1 311.407 0.419 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCSC2)C[C@@H]1C ZINC000408105800 160037356 /nfs/dbraw/zinc/03/73/56/160037356.db2.gz QOAHZRAFTRCGGQ-RWMBFGLXSA-N 1 1 301.456 0.979 10 0 DCAEMO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@H]2C1 ZINC000408147270 160047872 /nfs/dbraw/zinc/04/78/72/160047872.db2.gz BSBRQKVBJVQXMT-NEPJUHHUSA-N 1 1 303.428 0.157 10 0 DCAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCS(C)(=O)=O)[C@H]2C1 ZINC000408147270 160047873 /nfs/dbraw/zinc/04/78/73/160047873.db2.gz BSBRQKVBJVQXMT-NEPJUHHUSA-N 1 1 303.428 0.157 10 0 DCAEMO C[C@H]1CC[C@@H]([N@@H+](CCO)CC2(O)CCS(=O)(=O)CC2)C1 ZINC000408209637 160061110 /nfs/dbraw/zinc/06/11/10/160061110.db2.gz VACBZZQDSNVBGI-QWHCGFSZSA-N 1 1 305.440 0.409 10 0 DCAEMO COC(=O)C1(CS(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000408234179 160065583 /nfs/dbraw/zinc/06/55/83/160065583.db2.gz CQKFTWBONXEJFQ-LBPRGKRZSA-N 1 1 316.423 0.440 10 0 DCAEMO CNS(=O)(=O)NC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000408380215 160096214 /nfs/dbraw/zinc/09/62/14/160096214.db2.gz VMTYBWDQWARXJD-LLVKDONJSA-N 1 1 313.427 0.364 10 0 DCAEMO C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)ncn2)[C@@H](C)C[N@H+]1C ZINC000408389745 160098123 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C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184721920 261119135 /nfs/dbraw/zinc/11/91/35/261119135.db2.gz GRVPDULGOFSPGO-OAMVRSDCSA-N 1 1 322.449 0.887 10 0 DCAEMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184721920 261119138 /nfs/dbraw/zinc/11/91/38/261119138.db2.gz GRVPDULGOFSPGO-OAMVRSDCSA-N 1 1 322.449 0.887 10 0 DCAEMO C[C@H](CNC(=O)NCc1cc(C(N)=O)co1)C[NH+]1CCOCC1 ZINC000187209982 261122557 /nfs/dbraw/zinc/12/25/57/261122557.db2.gz LWPWNUHDMUMPPC-LLVKDONJSA-N 1 1 324.381 0.146 10 0 DCAEMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675875 261570261 /nfs/dbraw/zinc/57/02/61/261570261.db2.gz OKTINJIXARWGIA-BBRMVZONSA-N 1 1 312.410 0.504 10 0 DCAEMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1 ZINC000357675875 261570262 /nfs/dbraw/zinc/57/02/62/261570262.db2.gz OKTINJIXARWGIA-BBRMVZONSA-N 1 1 312.410 0.504 10 0 DCAEMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCOCC[C@@H]2C)CC1 ZINC000362048214 261992784 /nfs/dbraw/zinc/99/27/84/261992784.db2.gz WFVDZHSRHFFYQW-ZDUSSCGKSA-N 1 1 312.410 0.899 10 0 DCAEMO CC1=CCN(CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000358660296 271065230 /nfs/dbraw/zinc/06/52/30/271065230.db2.gz GDXYWCVFOYBCSM-INIZCTEOSA-N 1 1 324.469 0.784 10 0 DCAEMO COCC[N@@H+]1CCN(C(=O)CCCCNC(N)=O)C[C@@H]1C ZINC000117284945 277223649 /nfs/dbraw/zinc/22/36/49/277223649.db2.gz MKSIVTYDXNAWLF-LBPRGKRZSA-N 1 1 300.403 0.004 10 0 DCAEMO COCC[N@H+]1CCN(C(=O)CCCCNC(N)=O)C[C@@H]1C ZINC000117284945 277223651 /nfs/dbraw/zinc/22/36/51/277223651.db2.gz MKSIVTYDXNAWLF-LBPRGKRZSA-N 1 1 300.403 0.004 10 0 DCAEMO COc1cccc2c1CC[N@@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000193730699 278028604 /nfs/dbraw/zinc/02/86/04/278028604.db2.gz ORXXFXVDFCOCOC-INIZCTEOSA-N 1 1 320.433 0.789 10 0 DCAEMO C[C@@H]1C[C@H](NC(=O)[C@](C)(O)Cn2ccccc2=O)C[N@H+]1C1CC1 ZINC000548061538 288107531 /nfs/dbraw/zinc/10/75/31/288107531.db2.gz AFHRUUCACTYWDY-IIYDPXPESA-N 1 1 319.405 0.341 10 0 DCAEMO C[C@H](CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)N1CCCCC1=O ZINC000328740907 279245650 /nfs/dbraw/zinc/24/56/50/279245650.db2.gz IPWDJFUUAKVRBY-ZIAGYGMSSA-N 1 1 311.426 0.303 10 0 DCAEMO C[C@H](CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)N1CCCCC1=O ZINC000328740907 279245652 /nfs/dbraw/zinc/24/56/52/279245652.db2.gz IPWDJFUUAKVRBY-ZIAGYGMSSA-N 1 1 311.426 0.303 10 0 DCAEMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 ZINC000328620924 279277398 /nfs/dbraw/zinc/27/73/98/279277398.db2.gz HKOZJMJUGGKMDT-AWEZNQCLSA-N 1 1 304.394 0.539 10 0 DCAEMO CCO[C@@H]1C[C@](NC(=O)[C@@H]2CC[N@@H+](C)C2)(C(=O)OC)C1(C)C ZINC000548386117 288138232 /nfs/dbraw/zinc/13/82/32/288138232.db2.gz CYOBCEALBOWISV-HSMVNMDESA-N 1 1 312.410 0.801 10 0 DCAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)COc2cnn(C)c2)C[C@H](C)O1 ZINC000548812243 288178469 /nfs/dbraw/zinc/17/84/69/288178469.db2.gz MOMNSAXMJCRYKZ-BETUJISGSA-N 1 1 310.398 0.367 10 0 DCAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)COc2cnn(C)c2)C[C@H](C)O1 ZINC000548812243 288178473 /nfs/dbraw/zinc/17/84/73/288178473.db2.gz MOMNSAXMJCRYKZ-BETUJISGSA-N 1 1 310.398 0.367 10 0 DCAEMO Cc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n2ncnc2n1 ZINC000267523274 280587911 /nfs/dbraw/zinc/58/79/11/280587911.db2.gz HCLNWXNEQXVLKR-WCQYABFASA-N 1 1 302.382 0.590 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1nnnc1C(C)C ZINC000173493196 281188892 /nfs/dbraw/zinc/18/88/92/281188892.db2.gz VNNMZCNOMQFNIU-QWHCGFSZSA-N 1 1 306.414 0.882 10 0 DCAEMO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000554303457 288317550 /nfs/dbraw/zinc/31/75/50/288317550.db2.gz GPCSQUAWKWHISA-LBPRGKRZSA-N 1 1 307.398 0.313 10 0 DCAEMO Cn1c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc(=O)n(C)c1=O ZINC000246096711 294155461 /nfs/dbraw/zinc/15/54/61/294155461.db2.gz HTBNIZMIZNBZIG-OLZOCXBDSA-N 1 1 309.435 0.944 10 0 DCAEMO Cn1cc(Br)c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000393663043 337093514 /nfs/dbraw/zinc/09/35/14/337093514.db2.gz LDHHBRFAPZDHIR-QMMMGPOBSA-N 1 1 301.188 0.751 10 0 DCAEMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000190834958 337395627 /nfs/dbraw/zinc/39/56/27/337395627.db2.gz KMEWBIDJMMWORY-KBPBESRZSA-N 1 1 322.471 0.641 10 0 DCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000119546489 519722113 /nfs/dbraw/zinc/72/21/13/519722113.db2.gz WOPWFMZJFFJKMW-GFCCVEGCSA-N 1 1 324.425 0.553 10 0 DCAEMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000247692970 522936753 /nfs/dbraw/zinc/93/67/53/522936753.db2.gz WEVVHLBGKAWGLF-HUUCEWRRSA-N 1 1 324.469 0.517 10 0 DCAEMO CC[C@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000125235102 523165296 /nfs/dbraw/zinc/16/52/96/523165296.db2.gz UMPGOYFIBSNSTG-LBPRGKRZSA-N 1 1 319.409 0.556 10 0 DCAEMO COC(=O)C[C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000131287655 523314855 /nfs/dbraw/zinc/31/48/55/523314855.db2.gz BFIZJZLFOPYYJD-ZDUSSCGKSA-N 1 1 322.409 0.654 10 0 DCAEMO COC(=O)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000131287655 523314860 /nfs/dbraw/zinc/31/48/60/523314860.db2.gz BFIZJZLFOPYYJD-ZDUSSCGKSA-N 1 1 322.409 0.654 10 0 DCAEMO CCn1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000130397560 523403055 /nfs/dbraw/zinc/40/30/55/523403055.db2.gz ULIAWPUWLXLSJM-CYBMUJFWSA-N 1 1 307.398 0.784 10 0 DCAEMO CN1CC[NH+](CCCNC(=O)c2cnn3c2CCCC3)CC1 ZINC000126804940 523900397 /nfs/dbraw/zinc/90/03/97/523900397.db2.gz RPLOMUCIPAHPIT-UHFFFAOYSA-N 1 1 305.426 0.587 10 0 DCAEMO Cc1cc(CN(C)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000365185905 524648676 /nfs/dbraw/zinc/64/86/76/524648676.db2.gz TXMRKSRCTDFZJK-KGLIPLIRSA-N 1 1 308.382 0.988 10 0 DCAEMO C[C@H]1C[C@H](NC(=O)c2cc3c(cn2)nc[nH]c3=O)C[N@H+]1C1CC1 ZINC000190184996 524916951 /nfs/dbraw/zinc/91/69/51/524916951.db2.gz CBCQMJBGXZTPSB-UWVGGRQHSA-N 1 1 313.361 0.673 10 0 DCAEMO C[S@@](=O)CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000154483664 525360459 /nfs/dbraw/zinc/36/04/59/525360459.db2.gz NWRMLQOBZJCDMX-FQEVSTJZSA-N 1 1 302.440 0.326 10 0 DCAEMO O=C(CC[N@H+]1CCNC(=O)CC1)N1CCc2ccccc2C1 ZINC000189001485 526488416 /nfs/dbraw/zinc/48/84/16/526488416.db2.gz NSSIDGVTDYILLX-UHFFFAOYSA-N 1 1 301.390 0.783 10 0 DCAEMO CC(=O)N(C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O)C1CC1 ZINC000328622833 526496239 /nfs/dbraw/zinc/49/62/39/526496239.db2.gz BMOQNKKYPDXNSJ-HZPDHXFCSA-N 1 1 323.437 0.445 10 0 DCAEMO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1COCC[NH2+]1 ZINC000237678494 526929929 /nfs/dbraw/zinc/92/99/29/526929929.db2.gz PBBHAMRMJBRANN-PWSUYJOCSA-N 1 1 310.785 0.418 10 0 DCAEMO Cn1cnnc1SCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154522751 527526660 /nfs/dbraw/zinc/52/66/60/527526660.db2.gz FZYJFTMEZFWAMW-NWDGAFQWSA-N 1 1 309.439 0.850 10 0 DCAEMO CCOC(=O)[C@@](C)([NH3+])Cn1cc(I)cn1 ZINC000070678625 545660615 /nfs/dbraw/zinc/66/06/15/545660615.db2.gz KVQNIYFZWPEJGX-VIFPVBQESA-N 1 1 323.134 0.768 10 0 DCAEMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC000534995464 546290484 /nfs/dbraw/zinc/29/04/84/546290484.db2.gz SIRKVVATNLWTAI-OCCSQVGLSA-N 1 1 317.393 0.625 10 0 DCAEMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@@H](NC(N)=O)C2)C1 ZINC000534995464 546290487 /nfs/dbraw/zinc/29/04/87/546290487.db2.gz SIRKVVATNLWTAI-OCCSQVGLSA-N 1 1 317.393 0.625 10 0 DCAEMO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(OC)c1OC ZINC000021810431 660937998 /nfs/dbraw/zinc/93/79/98/660937998.db2.gz ZBUUMVWMKCSRQW-LLVKDONJSA-N 1 1 315.391 0.989 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cncn1C)C2 ZINC000888095339 661166119 /nfs/dbraw/zinc/16/61/19/661166119.db2.gz WHRSVJQZOCCBIZ-MEWXFMAXSA-N 1 1 306.410 0.630 10 0 DCAEMO CC[C@H]1CN(CC(=O)N2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC000247239168 657527249 /nfs/dbraw/zinc/52/72/49/657527249.db2.gz SDIOPBDYLRSABV-GJZGRUSLSA-N 1 1 313.442 0.276 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cn1c2cnccc2n(C)c1=O ZINC000160832453 658492584 /nfs/dbraw/zinc/49/25/84/658492584.db2.gz ZSSPBNQWOVHIKC-QWHCGFSZSA-N 1 1 301.394 0.861 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000179414292 658496135 /nfs/dbraw/zinc/49/61/35/658496135.db2.gz KXPBVWRCDOYLSZ-RYUDHWBXSA-N 1 1 304.481 0.750 10 0 DCAEMO COCC[N@H+]1CCN(Cn2cc3[nH]cccc-3c2=O)C[C@H]1C ZINC000190253569 658700360 /nfs/dbraw/zinc/70/03/60/658700360.db2.gz WTMQYNWXMSOOHH-CYBMUJFWSA-N 1 1 304.394 0.647 10 0 DCAEMO CC1([C@H]2CCC[N@@H+](C[C@@H](O)CN3CCCC3=O)C2)OCCO1 ZINC000248468271 661520534 /nfs/dbraw/zinc/52/05/34/661520534.db2.gz UBCDRNSFBFDZRY-UONOGXRCSA-N 1 1 312.410 0.445 10 0 DCAEMO Cc1nc2c(cnn2C)c(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328986559 661603882 /nfs/dbraw/zinc/60/38/82/661603882.db2.gz RECCKFLLFDDCNM-QWHCGFSZSA-N 1 1 302.382 0.581 10 0 DCAEMO COC(=O)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000906585823 663622004 /nfs/dbraw/zinc/62/20/04/663622004.db2.gz CXLMNLAGSAIHCH-CQSZACIVSA-N 1 1 306.362 0.427 10 0 DCAEMO COC(CNC(=O)[C@@H]1C[N@H+](C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221551 664291531 /nfs/dbraw/zinc/29/15/31/664291531.db2.gz UQIXZDGTTNAEOO-HIFRSBDPSA-N 1 1 322.405 0.968 10 0 DCAEMO COC(CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H](C)O1)(OC)c1ccccc1 ZINC000913221551 664291535 /nfs/dbraw/zinc/29/15/35/664291535.db2.gz UQIXZDGTTNAEOO-HIFRSBDPSA-N 1 1 322.405 0.968 10 0 DCAEMO O=C(NCCC[NH+]1CCOCC1)c1cnc2nsnc2c1 ZINC000222608692 664383153 /nfs/dbraw/zinc/38/31/53/664383153.db2.gz BDEFCFLHRPCOTG-UHFFFAOYSA-N 1 1 307.379 0.538 10 0 DCAEMO CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233671 664637764 /nfs/dbraw/zinc/63/77/64/664637764.db2.gz HCJIJHMMQUPMFW-GFCCVEGCSA-N 1 1 319.471 0.983 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233671 664637766 /nfs/dbraw/zinc/63/77/66/664637766.db2.gz HCJIJHMMQUPMFW-GFCCVEGCSA-N 1 1 319.471 0.983 10 0 DCAEMO O=C(CC[NH2+]Cc1nc(Br)c[nH]1)N1CCOCC1 ZINC000311227029 664650061 /nfs/dbraw/zinc/65/00/61/664650061.db2.gz PXBLGLSHGHGHJD-UHFFFAOYSA-N 1 1 317.187 0.511 10 0 DCAEMO CC(=O)CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000732204785 664908189 /nfs/dbraw/zinc/90/81/89/664908189.db2.gz SBKYNAQQGMLQPN-UHFFFAOYSA-N 1 1 314.393 0.759 10 0 DCAEMO CC[S@@](=O)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000735112525 666954579 /nfs/dbraw/zinc/95/45/79/666954579.db2.gz QJIFWFAVUVVFBG-YEJXKQKISA-N 1 1 319.471 0.411 10 0 DCAEMO CC[S@@](=O)CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000735112525 666954582 /nfs/dbraw/zinc/95/45/82/666954582.db2.gz QJIFWFAVUVVFBG-YEJXKQKISA-N 1 1 319.471 0.411 10 0 DCAEMO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120871140 667361053 /nfs/dbraw/zinc/36/10/53/667361053.db2.gz PPULRKPXXZUBMR-STQMWFEESA-N 1 1 319.471 0.791 10 0 DCAEMO CC(=O)N1CCO[C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000886035264 667726102 /nfs/dbraw/zinc/72/61/02/667726102.db2.gz NZTOLERIFBCAPP-STQMWFEESA-N 1 1 301.350 0.784 10 0 DCAEMO Cc1c([C@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C(N)=O)cnn1C ZINC000886071829 667728732 /nfs/dbraw/zinc/72/87/32/667728732.db2.gz AWGQCPJOUCMDEU-KGLIPLIRSA-N 1 1 302.382 0.126 10 0 DCAEMO Cc1ccc(N2CCC[N@H+](C[C@@H]3CCCS3(=O)=O)CC2)nn1 ZINC000929535431 668700185 /nfs/dbraw/zinc/70/01/85/668700185.db2.gz KUTJIEHYNJTIJN-AWEZNQCLSA-N 1 1 324.450 0.874 10 0 DCAEMO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCCS3(=O)=O)CC2)nn1 ZINC000929535431 668700186 /nfs/dbraw/zinc/70/01/86/668700186.db2.gz KUTJIEHYNJTIJN-AWEZNQCLSA-N 1 1 324.450 0.874 10 0 DCAEMO CC(C)(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)CN1CCCC1=O ZINC000131636033 669675426 /nfs/dbraw/zinc/67/54/26/669675426.db2.gz QJZBPSZVKSCMET-LBPRGKRZSA-N 1 1 320.455 0.115 10 0 DCAEMO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)CN1CCCC1=O ZINC000131636033 669675434 /nfs/dbraw/zinc/67/54/34/669675434.db2.gz QJZBPSZVKSCMET-LBPRGKRZSA-N 1 1 320.455 0.115 10 0 DCAEMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187685860 669947855 /nfs/dbraw/zinc/94/78/55/669947855.db2.gz SJIGRQQEYYSTGZ-DOMZBBRYSA-N 1 1 309.366 0.627 10 0 DCAEMO Cn1cc(C[NH2+]CCN2CCCC2=O)c(Br)n1 ZINC000712404061 670149052 /nfs/dbraw/zinc/14/90/52/670149052.db2.gz HAVPPJZANAUOJJ-UHFFFAOYSA-N 1 1 301.188 0.895 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000245999216 685159843 /nfs/dbraw/zinc/15/98/43/685159843.db2.gz JOVFWFIXEKZLKB-QWHCGFSZSA-N 1 1 319.471 0.793 10 0 DCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174777 685170336 /nfs/dbraw/zinc/17/03/36/685170336.db2.gz RKYLTFITBHIGKE-QWHCGFSZSA-N 1 1 318.826 0.997 10 0 DCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174777 685170340 /nfs/dbraw/zinc/17/03/40/685170340.db2.gz RKYLTFITBHIGKE-QWHCGFSZSA-N 1 1 318.826 0.997 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248500645 685175417 /nfs/dbraw/zinc/17/54/17/685175417.db2.gz URQFVEZQFHJFGU-UONOGXRCSA-N 1 1 312.410 0.755 10 0 DCAEMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000156334354 1180557185 /nfs/dbraw/zinc/55/71/85/1180557185.db2.gz KVBCJEBVNAYVCO-CQSZACIVSA-N 1 1 321.425 0.179 10 0 DCAEMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCC[C@H]2O)CC1 ZINC000172544336 1183857322 /nfs/dbraw/zinc/85/73/22/1183857322.db2.gz WROGUPZPTVTABS-HUUCEWRRSA-N 1 1 312.458 0.617 10 0 DCAEMO CON(C)C(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000397640400 1190703431 /nfs/dbraw/zinc/70/34/31/1190703431.db2.gz OLCGZJJVZXFLHW-JTQLQIEISA-N 1 1 300.380 0.761 10 0 DCAEMO O=S(=O)(c1ccc(Cl)nc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405425748 774167434 /nfs/dbraw/zinc/16/74/34/774167434.db2.gz ZFHGWLZIJGQTFD-VHSXEESVSA-N 1 1 317.798 0.175 10 0 DCAEMO O=S(=O)(c1ccc(Cl)nc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405425748 774167437 /nfs/dbraw/zinc/16/74/37/774167437.db2.gz ZFHGWLZIJGQTFD-VHSXEESVSA-N 1 1 317.798 0.175 10 0 DCAEMO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000252441983 282121390 /nfs/dbraw/zinc/12/13/90/282121390.db2.gz DQDLASWJNLWECL-OLZOCXBDSA-N 1 1 304.398 0.391 10 0 DCAEMO C[N@H+]1C[C@@H](C(=O)NCc2ccc(C(N)=O)o2)[C@H](C(F)(F)F)C1 ZINC000299741751 529816834 /nfs/dbraw/zinc/81/68/34/529816834.db2.gz FUODWLBVOXNAJO-RKDXNWHRSA-N 1 1 319.283 0.735 10 0 DCAEMO CNC(=O)[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C(C)C ZINC000178451577 529919702 /nfs/dbraw/zinc/91/97/02/529919702.db2.gz NMTOISGCNRLTAK-GFCCVEGCSA-N 1 1 302.419 0.025 10 0 DCAEMO CNC(=O)c1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000188437259 529941210 /nfs/dbraw/zinc/94/12/10/529941210.db2.gz CSGMNKUJSMOMIF-LBPRGKRZSA-N 1 1 320.393 0.577 10 0 DCAEMO CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000188437259 529941211 /nfs/dbraw/zinc/94/12/11/529941211.db2.gz CSGMNKUJSMOMIF-LBPRGKRZSA-N 1 1 320.393 0.577 10 0 DCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC(=O)NC(C)C ZINC000175624867 186181646 /nfs/dbraw/zinc/18/16/46/186181646.db2.gz KDNCVMUHMGWXNS-CYBMUJFWSA-N 1 1 307.398 0.890 10 0 DCAEMO c1cnnc(N2CCC[N@H+](CCCN3CCOCC3)CC2)c1 ZINC000173669860 198238354 /nfs/dbraw/zinc/23/83/54/198238354.db2.gz JZEMWQKFGYZQHG-UHFFFAOYSA-N 1 1 305.426 0.711 10 0 DCAEMO Cc1cc(N2CC[C@H]([NH+]3CCC([C@@H](C)O)CC3)C2=O)n(C)n1 ZINC000173727124 198244685 /nfs/dbraw/zinc/24/46/85/198244685.db2.gz BZRZQHBOECUEOK-OCCSQVGLSA-N 1 1 306.410 0.927 10 0 DCAEMO C[N@H+]1CC[C@@H](NC(=O)CSCC(N)=O)[C@H]1c1ccccc1 ZINC000248136410 283047501 /nfs/dbraw/zinc/04/75/01/283047501.db2.gz XOXHZZCMAWFGMQ-IUODEOHRSA-N 1 1 307.419 0.767 10 0 DCAEMO Cc1c(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1C ZINC000179335350 199017120 /nfs/dbraw/zinc/01/71/20/199017120.db2.gz WRZYENPRHKXHQC-DOMZBBRYSA-N 1 1 321.425 0.591 10 0 DCAEMO CCc1nnc(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000180053468 199112341 /nfs/dbraw/zinc/11/23/41/199112341.db2.gz KJLWLJNEOXACLL-AWEZNQCLSA-N 1 1 309.414 0.351 10 0 DCAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000323374278 283362118 /nfs/dbraw/zinc/36/21/18/283362118.db2.gz FIZFAYAPPUBWKC-ZQIUZPCESA-N 1 1 323.437 0.480 10 0 DCAEMO O=C([C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1)N1CCOCC1 ZINC000185162838 237293767 /nfs/dbraw/zinc/29/37/67/237293767.db2.gz PJQCFQAXHZUGCW-MNOVXSKESA-N 1 1 310.316 0.480 10 0 DCAEMO C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CC[N@@H+]1CCO ZINC000187692190 237355768 /nfs/dbraw/zinc/35/57/68/237355768.db2.gz NCINJSNBQBBJCP-CQSZACIVSA-N 1 1 303.406 0.574 10 0 DCAEMO C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CC[N@H+]1CCO ZINC000187692190 237355776 /nfs/dbraw/zinc/35/57/76/237355776.db2.gz NCINJSNBQBBJCP-CQSZACIVSA-N 1 1 303.406 0.574 10 0 DCAEMO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188773655 237380006 /nfs/dbraw/zinc/38/00/06/237380006.db2.gz MQVGSFLTYLXQJB-GFCCVEGCSA-N 1 1 320.393 0.624 10 0 DCAEMO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188773655 237380009 /nfs/dbraw/zinc/38/00/09/237380009.db2.gz MQVGSFLTYLXQJB-GFCCVEGCSA-N 1 1 320.393 0.624 10 0 DCAEMO C[C@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CC[N@@H+]1CCO ZINC000189342760 237395120 /nfs/dbraw/zinc/39/51/20/237395120.db2.gz JXVIICYRROUANY-LBPRGKRZSA-N 1 1 307.398 0.678 10 0 DCAEMO C[C@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CC[N@H+]1CCO ZINC000189342760 237395123 /nfs/dbraw/zinc/39/51/23/237395123.db2.gz JXVIICYRROUANY-LBPRGKRZSA-N 1 1 307.398 0.678 10 0 DCAEMO CCc1noc(CC)c1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188692674 200289344 /nfs/dbraw/zinc/28/93/44/200289344.db2.gz YYWDNXDHZWHUEG-LBPRGKRZSA-N 1 1 309.410 0.867 10 0 DCAEMO CCc1noc(CC)c1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188692674 200289346 /nfs/dbraw/zinc/28/93/46/200289346.db2.gz YYWDNXDHZWHUEG-LBPRGKRZSA-N 1 1 309.410 0.867 10 0 DCAEMO CC[C@@H]1C[N@@H+](CCC(=O)NCC(=O)OC)CCN1CC(F)F ZINC000153536947 291207408 /nfs/dbraw/zinc/20/74/08/291207408.db2.gz FYRXGKHDWHSXNZ-LLVKDONJSA-N 1 1 321.368 0.327 10 0 DCAEMO CC(=O)N[C@H]1CCCN(CCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000157593212 291228968 /nfs/dbraw/zinc/22/89/68/291228968.db2.gz BOVXNSRUAFPPHY-IRXDYDNUSA-N 1 1 324.469 0.578 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229709 /nfs/dbraw/zinc/22/97/09/291229709.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 1 324.469 0.548 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229710 /nfs/dbraw/zinc/22/97/10/291229710.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 1 324.469 0.548 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229711 /nfs/dbraw/zinc/22/97/11/291229711.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 1 324.469 0.548 10 0 DCAEMO C[C@@H](CNC(=O)C(=O)Nc1cnc(N(C)C)nc1)[N@@H+](C)C1CC1 ZINC000164140518 291247721 /nfs/dbraw/zinc/24/77/21/291247721.db2.gz QRDMLANXTPYQPQ-JTQLQIEISA-N 1 1 320.397 0.080 10 0 DCAEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000192619453 283871884 /nfs/dbraw/zinc/87/18/84/283871884.db2.gz GDZIRMROEOYGID-RDBSUJKOSA-N 1 1 312.410 0.755 10 0 DCAEMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000093101921 193203016 /nfs/dbraw/zinc/20/30/16/193203016.db2.gz KQOLVPIMYPKPMB-LBPRGKRZSA-N 1 1 306.362 0.949 10 0 DCAEMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCNC(=O)CC2)cc1 ZINC000093101921 193203018 /nfs/dbraw/zinc/20/30/18/193203018.db2.gz KQOLVPIMYPKPMB-LBPRGKRZSA-N 1 1 306.362 0.949 10 0 DCAEMO CCCC(=O)N[C@@H]1CCCN(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170425 193210469 /nfs/dbraw/zinc/21/04/69/193210469.db2.gz XJTLNLPXNDLKEZ-CQSZACIVSA-N 1 1 310.442 0.141 10 0 DCAEMO CNC(=O)c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000264908220 204260378 /nfs/dbraw/zinc/26/03/78/204260378.db2.gz DQYGRPDXIDMWDJ-DGCLKSJQSA-N 1 1 302.378 0.750 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc2c1ncnc2N ZINC000265070943 204378151 /nfs/dbraw/zinc/37/81/51/204378151.db2.gz NYMSRUZVDIHURZ-MNOVXSKESA-N 1 1 315.381 0.104 10 0 DCAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cncnc2)CC1 ZINC000129213968 545781725 /nfs/dbraw/zinc/78/17/25/545781725.db2.gz OEZBWVAQZPVXDG-UHFFFAOYSA-N 1 1 305.426 0.853 10 0 DCAEMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cncnc2)CC1 ZINC000129213968 545781731 /nfs/dbraw/zinc/78/17/31/545781731.db2.gz OEZBWVAQZPVXDG-UHFFFAOYSA-N 1 1 305.426 0.853 10 0 DCAEMO O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104845421 194046585 /nfs/dbraw/zinc/04/65/85/194046585.db2.gz RZVRHYKRRUNGTL-LBPRGKRZSA-N 1 1 313.357 0.881 10 0 DCAEMO O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104845421 194046588 /nfs/dbraw/zinc/04/65/88/194046588.db2.gz RZVRHYKRRUNGTL-LBPRGKRZSA-N 1 1 313.357 0.881 10 0 DCAEMO C[NH+]1CCC(CNC(=O)NCCCCN2CCOCC2)CC1 ZINC000105134367 194077782 /nfs/dbraw/zinc/07/77/82/194077782.db2.gz JSPUZDYBIKIQGQ-UHFFFAOYSA-N 1 1 312.458 0.740 10 0 DCAEMO NC(=O)c1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105140257 194078300 /nfs/dbraw/zinc/07/83/00/194078300.db2.gz DXLYLANCANXLRP-UHFFFAOYSA-N 1 1 302.378 0.775 10 0 DCAEMO CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802556 194132618 /nfs/dbraw/zinc/13/26/18/194132618.db2.gz FWUWFMOWQUEIRA-GFCCVEGCSA-N 1 1 320.397 0.223 10 0 DCAEMO CCS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109821807 194290168 /nfs/dbraw/zinc/29/01/68/194290168.db2.gz SFGCQPBSXHACEF-AWEZNQCLSA-N 1 1 319.471 0.112 10 0 DCAEMO CCS(=O)(=O)NCCN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000109821807 194290172 /nfs/dbraw/zinc/29/01/72/194290172.db2.gz SFGCQPBSXHACEF-AWEZNQCLSA-N 1 1 319.471 0.112 10 0 DCAEMO COCC[N@@H+]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000111228039 285050990 /nfs/dbraw/zinc/05/09/90/285050990.db2.gz RMKAUUBSPNJYRG-VXGBXAGGSA-N 1 1 323.359 0.802 10 0 DCAEMO COCC[N@H+]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C ZINC000111228039 285050995 /nfs/dbraw/zinc/05/09/95/285050995.db2.gz RMKAUUBSPNJYRG-VXGBXAGGSA-N 1 1 323.359 0.802 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000194655743 220459123 /nfs/dbraw/zinc/45/91/23/220459123.db2.gz JBMVUMHRKTUJDS-AWEZNQCLSA-N 1 1 314.393 0.805 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCS(C)(=O)=O)[C@H](C)C1 ZINC000122256889 285384308 /nfs/dbraw/zinc/38/43/08/285384308.db2.gz JVHFZDSABQGMHP-OLZOCXBDSA-N 1 1 304.456 1.000 10 0 DCAEMO COc1ccc(CNC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000187713415 533581162 /nfs/dbraw/zinc/58/11/62/533581162.db2.gz HOWOKCOWCYYWTE-CQSZACIVSA-N 1 1 321.421 0.310 10 0 DCAEMO 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C[C@@H]1CC[C@H](C)C[N@@H+]1CCNS(=O)(=O)c1cnn(C)c1 ZINC000174475453 416079953 /nfs/dbraw/zinc/07/99/53/416079953.db2.gz ZCUIWVDOQZDSQD-NWDGAFQWSA-N 1 1 300.428 0.819 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccn(C)c1=O ZINC000173543492 416059658 /nfs/dbraw/zinc/05/96/58/416059658.db2.gz RNZZYVKXYZVKDR-GFCCVEGCSA-N 1 1 308.382 0.618 10 0 DCAEMO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505447 416060076 /nfs/dbraw/zinc/06/00/76/416060076.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 1 1 323.485 0.360 10 0 DCAEMO C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505447 416060083 /nfs/dbraw/zinc/06/00/83/416060083.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 1 1 323.485 0.360 10 0 DCAEMO CCN(C)S(=O)(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000173508733 416060163 /nfs/dbraw/zinc/06/01/63/416060163.db2.gz TVKBKBOGBWPMAK-UHFFFAOYSA-N 1 1 315.443 0.124 10 0 DCAEMO CCN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000173508733 416060167 /nfs/dbraw/zinc/06/01/67/416060167.db2.gz TVKBKBOGBWPMAK-UHFFFAOYSA-N 1 1 315.443 0.124 10 0 DCAEMO Cc1cc(N2CC[C@H](N3CC[NH+](C4CC4)CC3)C2=O)n(C)n1 ZINC000173579467 416062341 /nfs/dbraw/zinc/06/23/41/416062341.db2.gz QBWVOTNSRUJEHE-AWEZNQCLSA-N 1 1 303.410 0.614 10 0 DCAEMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NC(C1CC1)C1CC1 ZINC000173985841 416069097 /nfs/dbraw/zinc/06/90/97/416069097.db2.gz SRHZUSPBEFTZGM-HNNXBMFYSA-N 1 1 307.438 0.698 10 0 DCAEMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)NC(C1CC1)C1CC1 ZINC000173985841 416069103 /nfs/dbraw/zinc/06/91/03/416069103.db2.gz SRHZUSPBEFTZGM-HNNXBMFYSA-N 1 1 307.438 0.698 10 0 DCAEMO O[C@H](COc1ccccc1F)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173954443 416071142 /nfs/dbraw/zinc/07/11/42/416071142.db2.gz RVSLWFUXUCWMGL-GJZGRUSLSA-N 1 1 324.396 0.972 10 0 DCAEMO COC(=O)c1ccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)nn1 ZINC000301074038 416073939 /nfs/dbraw/zinc/07/39/39/416073939.db2.gz HNTPQOCZNZXWTG-GFCCVEGCSA-N 1 1 320.393 0.953 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cnn(C)c3)CC2)C1 ZINC000174195520 416074269 /nfs/dbraw/zinc/07/42/69/416074269.db2.gz JTADLUAAIBHWJJ-CQSZACIVSA-N 1 1 320.441 0.736 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000170990506 416036949 /nfs/dbraw/zinc/03/69/49/416036949.db2.gz JHSSWFBCSXMFRH-OLZOCXBDSA-N 1 1 306.428 0.196 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625668 416040429 /nfs/dbraw/zinc/04/04/29/416040429.db2.gz ITKCFUVCSSWJPJ-KKUMJFAQSA-N 1 1 310.398 0.472 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171625663 416041146 /nfs/dbraw/zinc/04/11/46/416041146.db2.gz ITKCFUVCSSWJPJ-ILXRZTDVSA-N 1 1 310.398 0.472 10 0 DCAEMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CN(C)CCO1 ZINC000174750304 416086974 /nfs/dbraw/zinc/08/69/74/416086974.db2.gz IISRUAOAJBUKMO-GJZGRUSLSA-N 1 1 312.458 0.833 10 0 DCAEMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338378800 416088314 /nfs/dbraw/zinc/08/83/14/416088314.db2.gz UGIHIPXPSVYHFO-MJBXVCDLSA-N 1 1 304.456 0.893 10 0 DCAEMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175912525 416116746 /nfs/dbraw/zinc/11/67/46/416116746.db2.gz IUTINGSCPFSQSC-ZIAGYGMSSA-N 1 1 305.378 0.444 10 0 DCAEMO Cc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000175912525 416116752 /nfs/dbraw/zinc/11/67/52/416116752.db2.gz IUTINGSCPFSQSC-ZIAGYGMSSA-N 1 1 305.378 0.444 10 0 DCAEMO C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@@H]1N1CCOCC1 ZINC000177229381 416141444 /nfs/dbraw/zinc/14/14/44/416141444.db2.gz MNDRTGRFPBINPD-BBRMVZONSA-N 1 1 321.465 0.944 10 0 DCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000177192790 416143081 /nfs/dbraw/zinc/14/30/81/416143081.db2.gz QYZYFXDDZAGRDY-UONOGXRCSA-N 1 1 319.409 0.973 10 0 DCAEMO O=C(c1ncncc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177194061 416143313 /nfs/dbraw/zinc/14/33/13/416143313.db2.gz HZMMTJGPGYTIDA-NSHDSACASA-N 1 1 310.785 0.924 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCCN1CCOC1=O ZINC000177529114 416147340 /nfs/dbraw/zinc/14/73/40/416147340.db2.gz XJXMNFYQKXLCOG-ZDUSSCGKSA-N 1 1 312.414 0.954 10 0 DCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCNC(=O)C1CC1 ZINC000179091806 416183650 /nfs/dbraw/zinc/18/36/50/416183650.db2.gz BBTKZNBWYIGLHJ-CQSZACIVSA-N 1 1 310.442 0.932 10 0 DCAEMO CO[C@H](C)[C@H](C)NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000358121097 416196751 /nfs/dbraw/zinc/19/67/51/416196751.db2.gz KYGAGXWLVBPGMG-QWHCGFSZSA-N 1 1 300.447 0.735 10 0 DCAEMO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478671 416197011 /nfs/dbraw/zinc/19/70/11/416197011.db2.gz APHLYPZJHIQQIM-HOTGVXAUSA-N 1 1 308.426 0.613 10 0 DCAEMO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)CN3CCOCC3)CCO2)c1 ZINC000180478671 416197014 /nfs/dbraw/zinc/19/70/14/416197014.db2.gz APHLYPZJHIQQIM-HOTGVXAUSA-N 1 1 308.426 0.613 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)NCCCN2C(=O)CCC2=O)CC1 ZINC000358186941 416207512 /nfs/dbraw/zinc/20/75/12/416207512.db2.gz JZVNOLJJEBVSJH-UHFFFAOYSA-N 1 1 322.409 0.477 10 0 DCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc3n[nH]nc3c2)cn1 ZINC000181442240 416207684 /nfs/dbraw/zinc/20/76/84/416207684.db2.gz LOHRCUKVEPHEOI-AWEZNQCLSA-N 1 1 311.349 0.478 10 0 DCAEMO CCOCCO[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181410240 416208369 /nfs/dbraw/zinc/20/83/69/416208369.db2.gz LCKVZGLKLKDJBQ-JSGCOSHPSA-N 1 1 310.398 0.335 10 0 DCAEMO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330644071 416221680 /nfs/dbraw/zinc/22/16/80/416221680.db2.gz FEBMEPABYRJIJH-VNHYZAJKSA-N 1 1 311.426 0.613 10 0 DCAEMO O=C([C@H]1CCC[N@@H+](CCCn2ccnc2)C1)N1CCOCC1 ZINC000182620094 416227595 /nfs/dbraw/zinc/22/75/95/416227595.db2.gz CLNNXSFNBQHEEC-HNNXBMFYSA-N 1 1 306.410 0.844 10 0 DCAEMO CCN(C)C(=O)CC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182904717 416232346 /nfs/dbraw/zinc/23/23/46/416232346.db2.gz RMSLSSGCIMQPNZ-INIZCTEOSA-N 1 1 310.486 0.957 10 0 DCAEMO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000178234611 416159182 /nfs/dbraw/zinc/15/91/82/416159182.db2.gz IAQOZJMVCOHDIL-OAHLLOKOSA-N 1 1 318.483 0.996 10 0 DCAEMO CC(C)S(=O)(=O)CC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000178234611 416159183 /nfs/dbraw/zinc/15/91/83/416159183.db2.gz IAQOZJMVCOHDIL-OAHLLOKOSA-N 1 1 318.483 0.996 10 0 DCAEMO Cc1csc([C@H](C)NC(=O)C(=O)NCCn2cc[nH+]c2C)n1 ZINC000357979851 416164522 /nfs/dbraw/zinc/16/45/22/416164522.db2.gz LJSUVHIEPSDEQV-JTQLQIEISA-N 1 1 321.406 0.950 10 0 DCAEMO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183636384 416248701 /nfs/dbraw/zinc/24/87/01/416248701.db2.gz YNURHMNVNTXFMR-IUODEOHRSA-N 1 1 319.405 0.435 10 0 DCAEMO CN(C)CC[NH+]1CCC(NC(=O)NC[C@H](CO)C2CC2)CC1 ZINC000358584752 416258276 /nfs/dbraw/zinc/25/82/76/416258276.db2.gz CMUSZPJEDHESQY-CQSZACIVSA-N 1 1 312.458 0.330 10 0 DCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000186827999 416258901 /nfs/dbraw/zinc/25/89/01/416258901.db2.gz KREBMFPNQMLUSA-SNVBAGLBSA-N 1 1 306.341 0.841 10 0 DCAEMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187343544 416260186 /nfs/dbraw/zinc/26/01/86/416260186.db2.gz BVADACVGFVCXNX-CABCVRRESA-N 1 1 323.441 0.980 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000249756331 416334452 /nfs/dbraw/zinc/33/44/52/416334452.db2.gz KPWSLQPNZSKVGS-MJBXVCDLSA-N 1 1 317.455 0.511 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000249756331 416334453 /nfs/dbraw/zinc/33/44/53/416334453.db2.gz KPWSLQPNZSKVGS-MJBXVCDLSA-N 1 1 317.455 0.511 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000194653204 416324337 /nfs/dbraw/zinc/32/43/37/416324337.db2.gz BLSOTWPAQSDHFK-NEPJUHHUSA-N 1 1 303.428 0.011 10 0 DCAEMO CCCCOC[C@@H](O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000195183785 416325506 /nfs/dbraw/zinc/32/55/06/416325506.db2.gz XOIIBOLLVVSFIY-AWEZNQCLSA-N 1 1 322.471 0.520 10 0 DCAEMO O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000237902330 416329332 /nfs/dbraw/zinc/32/93/32/416329332.db2.gz HNKVUEQVJXIFRK-KBPBESRZSA-N 1 1 309.410 0.272 10 0 DCAEMO O=C([C@H]1COCC[NH2+]1)N1CCC(CN2CCCCC2=O)CC1 ZINC000238041665 416329800 /nfs/dbraw/zinc/32/98/00/416329800.db2.gz MGFHZHUCQDBTDX-CQSZACIVSA-N 1 1 309.410 0.226 10 0 DCAEMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCc2cn[nH]c2)CC1 ZINC000360270185 416383276 /nfs/dbraw/zinc/38/32/76/416383276.db2.gz XKCTXAWDOHQIOE-UHFFFAOYSA-N 1 1 322.457 0.668 10 0 DCAEMO NC(=O)N[C@H]1CC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000535681459 416523695 /nfs/dbraw/zinc/52/36/95/416523695.db2.gz PJDPAOMNKSGUNU-NSHDSACASA-N 1 1 303.366 0.875 10 0 DCAEMO Cn1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000535023069 416514246 /nfs/dbraw/zinc/51/42/46/416514246.db2.gz LDPOOQJWTHBGGU-GJZGRUSLSA-N 1 1 321.425 0.863 10 0 DCAEMO C[C@@H]1CN(C(=O)[C@@]2(C)CCCNC2=O)CC[N@H+]1CC(C)(C)O ZINC000365253992 416601315 /nfs/dbraw/zinc/60/13/15/416601315.db2.gz ASKPXRXXUABKLG-WBMJQRKESA-N 1 1 311.426 0.206 10 0 DCAEMO C[C@H](CNC(=O)c1cccc2ncnn21)C[NH+]1CCOCC1 ZINC000542940201 416636032 /nfs/dbraw/zinc/63/60/32/416636032.db2.gz JSHDFUOXSRCEMM-GFCCVEGCSA-N 1 1 303.366 0.427 10 0 DCAEMO 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C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000174765407 297013631 /nfs/dbraw/zinc/01/36/31/297013631.db2.gz BLYHSLBHEWFVFP-MJBXVCDLSA-N 1 1 311.426 0.565 10 0 DCAEMO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186769975 534243228 /nfs/dbraw/zinc/24/32/28/534243228.db2.gz AELIKJOAEGCFIX-GFCCVEGCSA-N 1 1 300.399 0.395 10 0 DCAEMO Cc1noc(Cl)c1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187295844 534424907 /nfs/dbraw/zinc/42/49/07/534424907.db2.gz FHFPRAZAMCSNCZ-SECBINFHSA-N 1 1 301.774 0.704 10 0 DCAEMO Cc1noc(Cl)c1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187295844 534424910 /nfs/dbraw/zinc/42/49/10/534424910.db2.gz FHFPRAZAMCSNCZ-SECBINFHSA-N 1 1 301.774 0.704 10 0 DCAEMO CCNC(=O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917151 521737315 /nfs/dbraw/zinc/73/73/15/521737315.db2.gz RBYWDDNKDOUSFI-UHFFFAOYSA-N 1 1 307.398 0.591 10 0 DCAEMO CCNC(=O)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917151 521737316 /nfs/dbraw/zinc/73/73/16/521737316.db2.gz 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ZINC000190084128 525066902 /nfs/dbraw/zinc/06/69/02/525066902.db2.gz NNVOGPFEIHLDCR-VXGBXAGGSA-N 1 1 318.377 0.724 10 0 DCAEMO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000130261441 525590841 /nfs/dbraw/zinc/59/08/41/525590841.db2.gz PBSBCGUULDRXOE-DZGCQCFKSA-N 1 1 321.425 0.815 10 0 DCAEMO C[C@@H]1OCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000130261441 525590845 /nfs/dbraw/zinc/59/08/45/525590845.db2.gz PBSBCGUULDRXOE-DZGCQCFKSA-N 1 1 321.425 0.815 10 0 DCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC000128207640 525791830 /nfs/dbraw/zinc/79/18/30/525791830.db2.gz XEHKHCLQUUSBPR-CHWSQXEVSA-N 1 1 306.410 0.747 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC000128207640 525791841 /nfs/dbraw/zinc/79/18/41/525791841.db2.gz XEHKHCLQUUSBPR-CHWSQXEVSA-N 1 1 306.410 0.747 10 0 DCAEMO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246248027 525955261 /nfs/dbraw/zinc/95/52/61/525955261.db2.gz VXUNHZHWXBDHOH-HIFRSBDPSA-N 1 1 322.453 0.269 10 0 DCAEMO CCCc1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)n(C)n1 ZINC000189283968 528606971 /nfs/dbraw/zinc/60/69/71/528606971.db2.gz LRKLJHXHZWXYOX-GFCCVEGCSA-N 1 1 309.414 0.903 10 0 DCAEMO CCCc1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n(C)n1 ZINC000189283968 528606972 /nfs/dbraw/zinc/60/69/72/528606972.db2.gz LRKLJHXHZWXYOX-GFCCVEGCSA-N 1 1 309.414 0.903 10 0 DCAEMO CCCc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n2ncnc2n1 ZINC000285112457 535399197 /nfs/dbraw/zinc/39/91/97/535399197.db2.gz RAEIONHWTUXPMX-KBPBESRZSA-N 1 1 316.409 0.986 10 0 DCAEMO COC(=O)c1cc(C)cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000457751388 536879827 /nfs/dbraw/zinc/87/98/27/536879827.db2.gz SBJMRQDEMZSRPV-ZDUSSCGKSA-N 1 1 320.389 0.920 10 0 DCAEMO CC(C)C[C@H](CNc1nccn2cnnc12)[NH+]1CCOCC1 ZINC000329760781 546054593 /nfs/dbraw/zinc/05/45/93/546054593.db2.gz QQBJAVZDVUDBJN-CYBMUJFWSA-N 1 1 304.398 1.283 10 0 DCAEMO Cc1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)s1 ZINC000405253504 546228245 /nfs/dbraw/zinc/22/82/45/546228245.db2.gz FGVADIBFCLNSHC-NWDGAFQWSA-N 1 1 316.448 0.804 10 0 DCAEMO Cc1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C)s1 ZINC000405253504 546228247 /nfs/dbraw/zinc/22/82/47/546228247.db2.gz FGVADIBFCLNSHC-NWDGAFQWSA-N 1 1 316.448 0.804 10 0 DCAEMO CN(Cc1nnnn1C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533847862 546290403 /nfs/dbraw/zinc/29/04/03/546290403.db2.gz GIDJDMUVIULEKR-CYBMUJFWSA-N 1 1 315.381 0.538 10 0 DCAEMO CN(Cc1nnnn1C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533847862 546290406 /nfs/dbraw/zinc/29/04/06/546290406.db2.gz GIDJDMUVIULEKR-CYBMUJFWSA-N 1 1 315.381 0.538 10 0 DCAEMO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCn2ncnc2C1 ZINC000667998135 546680690 /nfs/dbraw/zinc/68/06/90/546680690.db2.gz OYAOXCDCKQCOFR-GXTWGEPZSA-N 1 1 302.382 0.995 10 0 DCAEMO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@H+]1CCn2ncnc2C1 ZINC000667998135 546680693 /nfs/dbraw/zinc/68/06/93/546680693.db2.gz OYAOXCDCKQCOFR-GXTWGEPZSA-N 1 1 302.382 0.995 10 0 DCAEMO Cn1cc([C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]2C(N)=O)cn1 ZINC000671503768 547229840 /nfs/dbraw/zinc/22/98/40/547229840.db2.gz OAITXWUWVMSWAB-CABCVRRESA-N 1 1 324.388 0.997 10 0 DCAEMO Cc1nc2n(n1)CCN(C(=O)c1c[nH]nc1[C@@H]1CCCC[NH2+]1)C2 ZINC000685941261 548747278 /nfs/dbraw/zinc/74/72/78/548747278.db2.gz BJZHMSNEUOZAAF-LBPRGKRZSA-N 1 1 315.381 0.780 10 0 DCAEMO C[C@H]1C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 ZINC000056871319 560083354 /nfs/dbraw/zinc/08/33/54/560083354.db2.gz PSUFRPOAICRSTC-ZLGRWFNRSA-N 1 1 309.362 0.493 10 0 biogenic,in-vitro DCAEMO C[C@H]1C(=O)O[C@@H]2CC[N@@H+]3CC=C(COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 ZINC000056871319 560083355 /nfs/dbraw/zinc/08/33/55/560083355.db2.gz PSUFRPOAICRSTC-ZLGRWFNRSA-N 1 1 309.362 0.493 10 0 biogenic,in-vitro DCAEMO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1C ZINC000889070529 657494195 /nfs/dbraw/zinc/49/41/95/657494195.db2.gz RQGURNSKYIHKEN-WDEREUQCSA-N 1 1 321.381 0.907 10 0 DCAEMO O=C(CCN1CCS[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000721485390 657945299 /nfs/dbraw/zinc/94/52/99/657945299.db2.gz JPGJWTWDIGCSIJ-JTQLQIEISA-N 1 1 311.373 0.788 10 0 DCAEMO Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCc2ccncc2)C1 ZINC000888076995 658717142 /nfs/dbraw/zinc/71/71/42/658717142.db2.gz BSSAHOTXWMVXGZ-MRXNPFEDSA-N 1 1 301.394 0.822 10 0 DCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(CN2CCOC2=S)CC1 ZINC000152585120 658734223 /nfs/dbraw/zinc/73/42/23/658734223.db2.gz JBQHLQYKQAHIEY-AWEZNQCLSA-N 1 1 312.483 0.663 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)CCO1 ZINC000177968264 658835515 /nfs/dbraw/zinc/83/55/15/658835515.db2.gz KPBRFDBSIOQQJI-HIFRSBDPSA-N 1 1 305.378 0.782 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)CCO1 ZINC000177968264 658835521 /nfs/dbraw/zinc/83/55/21/658835521.db2.gz KPBRFDBSIOQQJI-HIFRSBDPSA-N 1 1 305.378 0.782 10 0 DCAEMO C[N@@H+](C[C@H](O)Cn1cncc(Br)c1=O)C1CC1 ZINC000310385338 659330143 /nfs/dbraw/zinc/33/01/43/659330143.db2.gz CHBUFTCQLIZVOC-VIFPVBQESA-N 1 1 302.172 0.461 10 0 DCAEMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000069819571 665682723 /nfs/dbraw/zinc/68/27/23/665682723.db2.gz CKTCYIUREQTSQH-LBPRGKRZSA-N 1 1 303.366 0.963 10 0 DCAEMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728155022 662358515 /nfs/dbraw/zinc/35/85/15/662358515.db2.gz OHEUISNSJKFKJL-SOUVJXGZSA-N 1 1 315.410 0.628 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900602234 663259688 /nfs/dbraw/zinc/25/96/88/663259688.db2.gz PGKYTGUROTZQOV-CYBMUJFWSA-N 1 1 306.410 0.676 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1OCCN(C)C1=O ZINC000900959266 663297644 /nfs/dbraw/zinc/29/76/44/663297644.db2.gz JTYWXLOKUGEBGV-STQMWFEESA-N 1 1 306.366 0.040 10 0 DCAEMO Cc1ccc2nnc(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2c1 ZINC000911075085 663979767 /nfs/dbraw/zinc/97/97/67/663979767.db2.gz MMSIXFVBTPAZMO-OLZOCXBDSA-N 1 1 315.377 0.517 10 0 DCAEMO Cc1nn(C)c(N2CCC2)c1NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000913245680 664293653 /nfs/dbraw/zinc/29/36/53/664293653.db2.gz XDSUBRSWOAANFU-QWHCGFSZSA-N 1 1 319.409 0.740 10 0 DCAEMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-n2cnnc2)nc1 ZINC000223057794 664399211 /nfs/dbraw/zinc/39/92/11/664399211.db2.gz IHNQCXIKXIYUQZ-UHFFFAOYSA-N 1 1 316.365 0.114 10 0 DCAEMO COC(=O)c1cn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1 ZINC000157923918 664515151 /nfs/dbraw/zinc/51/51/51/664515151.db2.gz FMUUDCQSFAYPHW-IUODEOHRSA-N 1 1 319.409 0.971 10 0 DCAEMO C[C@@H](C[NH2+][C@@H]1CON(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000703306773 667080808 /nfs/dbraw/zinc/08/08/08/667080808.db2.gz UHXGDSKCUGNXQH-UWVGGRQHSA-N 1 1 308.400 0.560 10 0 DCAEMO CC[C@H]1CN(C(=O)N=c2nc(C)[nH]n2CC)CC[N@H+]1CCOC ZINC000888529125 667637709 /nfs/dbraw/zinc/63/77/09/667637709.db2.gz QCOGJHPHYVIBQU-ZDUSSCGKSA-N 1 1 324.429 0.603 10 0 DCAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)CCN2CCNC2=O)C1 ZINC000886078442 667729714 /nfs/dbraw/zinc/72/97/14/667729714.db2.gz RIJGELUQONAJCE-KFWWJZLASA-N 1 1 310.442 0.585 10 0 DCAEMO C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC[N@@H+]1CCO ZINC000187263580 669718063 /nfs/dbraw/zinc/71/80/63/669718063.db2.gz SBTQWNQJLDMWKP-BBRMVZONSA-N 1 1 317.389 0.705 10 0 DCAEMO C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC[N@H+]1CCO ZINC000187263580 669718065 /nfs/dbraw/zinc/71/80/65/669718065.db2.gz SBTQWNQJLDMWKP-BBRMVZONSA-N 1 1 317.389 0.705 10 0 DCAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@](O)(c2cn[nH]n2)C1 ZINC000794311057 669820491 /nfs/dbraw/zinc/82/04/91/669820491.db2.gz AOCWOOVSKDVREK-LALPHHSUSA-N 1 1 320.397 0.034 10 0 DCAEMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000794311057 669820495 /nfs/dbraw/zinc/82/04/95/669820495.db2.gz AOCWOOVSKDVREK-LALPHHSUSA-N 1 1 320.397 0.034 10 0 DCAEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@](O)(c2c[nH]nn2)C1 ZINC000794311057 669820499 /nfs/dbraw/zinc/82/04/99/669820499.db2.gz AOCWOOVSKDVREK-LALPHHSUSA-N 1 1 320.397 0.034 10 0 DCAEMO Cc1nonc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000794520702 669845884 /nfs/dbraw/zinc/84/58/84/669845884.db2.gz KAPDEKCXZROVTO-SMDDNHRTSA-N 1 1 318.381 0.924 10 0 DCAEMO C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1nnnn1C1CC1 ZINC000188947080 670068366 /nfs/dbraw/zinc/06/83/66/670068366.db2.gz YETCTRQNKIQLKT-SNVBAGLBSA-N 1 1 305.386 0.559 10 0 DCAEMO NS(=O)(=O)C1(CNc2cc[nH+]cc2Br)CC1 ZINC000713945742 670171793 /nfs/dbraw/zinc/17/17/93/670171793.db2.gz ZBLCMURHDVUIIW-UHFFFAOYSA-N 1 1 306.185 0.499 10 0 DCAEMO O=C(CN1CC[NH+](C[C@@H]2CCC=CO2)CC1)N1CCOCC1 ZINC000193631879 670319279 /nfs/dbraw/zinc/31/92/79/670319279.db2.gz BEFFKPQKEIJSRO-HNNXBMFYSA-N 1 1 309.410 0.156 10 0 DCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@@H]3CCOC3=O)CC2)C1 ZINC000105845756 672240758 /nfs/dbraw/zinc/24/07/58/672240758.db2.gz CRKVRMCUNRERAG-LSDHHAIUSA-N 1 1 311.426 0.029 10 0 DCAEMO O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000390702324 685260699 /nfs/dbraw/zinc/26/06/99/685260699.db2.gz DMNDKDXKTLCZKQ-JKSUJKDBSA-N 1 1 323.462 0.932 10 0 DCAEMO CO[C@]1(C[NH2+]Cc2ncc(Cl)n2C)CCS(=O)(=O)C1 ZINC000721213257 685318438 /nfs/dbraw/zinc/31/84/38/685318438.db2.gz SIRLKJORXWCLNM-NSHDSACASA-N 1 1 307.803 0.367 10 0 DCAEMO CN(C[C@H]1CN(C)CCO1)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000899160849 685444681 /nfs/dbraw/zinc/44/46/81/685444681.db2.gz SEDOFKKTFUMSOO-IUODEOHRSA-N 1 1 321.425 0.579 10 0 DCAEMO CN(C[C@H]1CN(C)CCO1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899160849 685444687 /nfs/dbraw/zinc/44/46/87/685444687.db2.gz SEDOFKKTFUMSOO-IUODEOHRSA-N 1 1 321.425 0.579 10 0 DCAEMO CN(C[C@H]1CN(C)CCO1)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000899160849 685444690 /nfs/dbraw/zinc/44/46/90/685444690.db2.gz SEDOFKKTFUMSOO-IUODEOHRSA-N 1 1 321.425 0.579 10 0 DCAEMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)CCO1 ZINC000246636696 685165638 /nfs/dbraw/zinc/16/56/38/685165638.db2.gz KPBRFDBSIOQQJI-DZGCQCFKSA-N 1 1 305.378 0.782 10 0 DCAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)CCO1 ZINC000246636696 685165645 /nfs/dbraw/zinc/16/56/45/685165645.db2.gz KPBRFDBSIOQQJI-DZGCQCFKSA-N 1 1 305.378 0.782 10 0 DCAEMO CCCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000249153412 685178649 /nfs/dbraw/zinc/17/86/49/685178649.db2.gz HTXDQMMKNDSUOA-TZMCWYRMSA-N 1 1 319.409 0.927 10 0 DCAEMO C[C@H]([NH3+])c1nc(C(=O)N(C)Cc2nnc3n2CCC3)cs1 ZINC000090950326 1157535424 /nfs/dbraw/zinc/53/54/24/1157535424.db2.gz XQVGGQJYKAFSBL-QMMMGPOBSA-N 1 1 306.395 0.973 10 0 DCAEMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cnc(N)nc1 ZINC000050633988 1171735012 /nfs/dbraw/zinc/73/50/12/1171735012.db2.gz XMRNMHSGTBPTLJ-LLVKDONJSA-N 1 1 313.427 0.602 10 0 DCAEMO COCC[NH+]1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000055207908 1171870517 /nfs/dbraw/zinc/87/05/17/1171870517.db2.gz PKODXZUROXPKMM-UHFFFAOYSA-N 1 1 303.366 0.222 10 0 DCAEMO C[C@@H]1C[C@@H](N(C)Cc2nc(CS(C)(=O)=O)no2)CC[N@H+]1C ZINC000173527961 1183912203 /nfs/dbraw/zinc/91/22/03/1183912203.db2.gz HSXNERROBNWQLZ-MNOVXSKESA-N 1 1 316.427 0.529 10 0 DCAEMO 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533910435 /nfs/dbraw/zinc/91/04/35/533910435.db2.gz NCINJSNBQBBJCP-AWEZNQCLSA-N 1 1 303.406 0.574 10 0 DCAEMO C[C@H]1CN(CC(=O)N2CCc3ccccc32)CC[N@H+]1CCO ZINC000187692207 533910443 /nfs/dbraw/zinc/91/04/43/533910443.db2.gz NCINJSNBQBBJCP-AWEZNQCLSA-N 1 1 303.406 0.574 10 0 DCAEMO C[C@H](O)C[NH+]1CCC(CN(C)c2ccncc2C(N)=O)CC1 ZINC000302011789 534077650 /nfs/dbraw/zinc/07/76/50/534077650.db2.gz CRPPUNVNHLORFQ-LBPRGKRZSA-N 1 1 306.410 0.710 10 0 DCAEMO NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299372811 534406574 /nfs/dbraw/zinc/40/65/74/534406574.db2.gz RVICMCDPVXTTLN-OAHLLOKOSA-N 1 1 316.405 0.573 10 0 DCAEMO CCOCC[N@H+]1CCN(CCC(=O)NC(N)=O)C[C@@H]1CC ZINC000105903172 519920816 /nfs/dbraw/zinc/92/08/16/519920816.db2.gz BMQMIQAXVCYUQA-LBPRGKRZSA-N 1 1 300.403 0.004 10 0 DCAEMO CCOCCN1CC[N@H+](CCC(=O)NC(N)=O)C[C@@H]1CC ZINC000105903172 519920817 /nfs/dbraw/zinc/92/08/17/519920817.db2.gz BMQMIQAXVCYUQA-LBPRGKRZSA-N 1 1 300.403 0.004 10 0 DCAEMO 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CCOC(=O)CCCNC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247068111 395965513 /nfs/dbraw/zinc/96/55/13/395965513.db2.gz WKUWLKINCHZSPP-KBPBESRZSA-N 1 1 313.442 0.860 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1cnn(C)c1 ZINC000247150255 395967987 /nfs/dbraw/zinc/96/79/87/395967987.db2.gz KBDIKZHKUGMPNC-ZFWWWQNUSA-N 1 1 305.426 0.547 10 0 DCAEMO COCCN1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC000247261565 395970683 /nfs/dbraw/zinc/97/06/83/395970683.db2.gz YQAXWEHCESPQQV-UONOGXRCSA-N 1 1 312.458 0.831 10 0 DCAEMO Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247402602 395973404 /nfs/dbraw/zinc/97/34/04/395973404.db2.gz PMSNBVWADMSSSE-ZWNOBZJWSA-N 1 1 304.394 0.915 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC000247434167 395973471 /nfs/dbraw/zinc/97/34/71/395973471.db2.gz OXYPRPAUXDHSHQ-QWHCGFSZSA-N 1 1 309.410 0.714 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(N)=O ZINC000274820443 395979290 /nfs/dbraw/zinc/97/92/90/395979290.db2.gz JPDGYKSSIDPMQE-JSGCOSHPSA-N 1 1 304.394 0.682 10 0 DCAEMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000274820443 395979295 /nfs/dbraw/zinc/97/92/95/395979295.db2.gz JPDGYKSSIDPMQE-JSGCOSHPSA-N 1 1 304.394 0.682 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)CC ZINC000248132211 395983399 /nfs/dbraw/zinc/98/33/99/395983399.db2.gz WSOBOAZMQJFKHG-NEPJUHHUSA-N 1 1 303.428 0.011 10 0 DCAEMO CC(C)(C)OC(=O)CNC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248441800 395988380 /nfs/dbraw/zinc/98/83/80/395988380.db2.gz DTEOQNATSYZCKL-ZDUSSCGKSA-N 1 1 311.426 0.614 10 0 DCAEMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000249018823 396001853 /nfs/dbraw/zinc/00/18/53/396001853.db2.gz KMEWBIDJMMWORY-ZIAGYGMSSA-N 1 1 322.471 0.641 10 0 DCAEMO COC(=O)CCCCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248808399 395997316 /nfs/dbraw/zinc/99/73/16/395997316.db2.gz WYSLVLVZOKAIAW-ZDUSSCGKSA-N 1 1 318.439 0.830 10 0 DCAEMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252696402 396024433 /nfs/dbraw/zinc/02/44/33/396024433.db2.gz AAMIZURENOADSR-MJBXVCDLSA-N 1 1 304.456 0.893 10 0 DCAEMO OCCN1CCCn2ccnc2[C@H]1C1CC[NH+](CCO)CC1 ZINC000257188636 396034873 /nfs/dbraw/zinc/03/48/73/396034873.db2.gz FYEPDYDRVRMXDZ-OAHLLOKOSA-N 1 1 308.426 0.327 10 0 DCAEMO COCCN1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000261841788 396072056 /nfs/dbraw/zinc/07/20/56/396072056.db2.gz CPIVFUUVWTZYNX-INIZCTEOSA-N 1 1 305.422 0.910 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000249211204 396004463 /nfs/dbraw/zinc/00/44/63/396004463.db2.gz SNFKBNXUDDIZQB-JQWIXIFHSA-N 1 1 306.341 0.854 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(CC)c1 ZINC000249239548 396004776 /nfs/dbraw/zinc/00/47/76/396004776.db2.gz WLZQAOHKQREWLA-KGLIPLIRSA-N 1 1 319.409 0.927 10 0 DCAEMO CC[N@@H+](CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1)C1CC1 ZINC000152509610 396011563 /nfs/dbraw/zinc/01/15/63/396011563.db2.gz 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/nfs/dbraw/zinc/39/94/07/396399407.db2.gz UUGVNTNHEFKAHV-CYBMUJFWSA-N 1 1 307.398 0.087 10 0 DCAEMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cc(C)[nH]n3)CC2)C1 ZINC000189797903 396399408 /nfs/dbraw/zinc/39/94/08/396399408.db2.gz UUGVNTNHEFKAHV-CYBMUJFWSA-N 1 1 307.398 0.087 10 0 DCAEMO CCN1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000190586876 396408191 /nfs/dbraw/zinc/40/81/91/396408191.db2.gz XBSRZJAJPOJTEQ-HNNXBMFYSA-N 1 1 317.389 0.536 10 0 DCAEMO CCN1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000190586876 396408194 /nfs/dbraw/zinc/40/81/94/396408194.db2.gz XBSRZJAJPOJTEQ-HNNXBMFYSA-N 1 1 317.389 0.536 10 0 DCAEMO COCCN1CCC[N@H+](Cc2ccc(C(N)=O)cc2)CC1=O ZINC000190756572 396411149 /nfs/dbraw/zinc/41/11/49/396411149.db2.gz BPRSYYSUCLZDMP-UHFFFAOYSA-N 1 1 305.378 0.466 10 0 DCAEMO COCCN1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)CC1=O ZINC000190756572 396411152 /nfs/dbraw/zinc/41/11/52/396411152.db2.gz BPRSYYSUCLZDMP-UHFFFAOYSA-N 1 1 305.378 0.466 10 0 DCAEMO 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/nfs/dbraw/zinc/78/13/40/396781340.db2.gz NTTMLZHLHWRREI-VHSXEESVSA-N 1 1 318.361 0.702 10 0 DCAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000375613375 396781350 /nfs/dbraw/zinc/78/13/50/396781350.db2.gz NTTMLZHLHWRREI-VHSXEESVSA-N 1 1 318.361 0.702 10 0 DCAEMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCc2nccn2C1 ZINC000328626824 396824511 /nfs/dbraw/zinc/82/45/11/396824511.db2.gz FLUCUNAIQZWDDC-GFCCVEGCSA-N 1 1 305.382 0.176 10 0 DCAEMO NC(=O)c1noc([C@H]2CCCN2CCC[NH+]2CCOCC2)n1 ZINC000328631942 396827127 /nfs/dbraw/zinc/82/71/27/396827127.db2.gz KZOQBCUCRUCJFE-LLVKDONJSA-N 1 1 309.370 0.028 10 0 DCAEMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630039490 396926488 /nfs/dbraw/zinc/92/64/88/396926488.db2.gz FQIYIDAHZQQKHK-ZIAGYGMSSA-N 1 1 314.426 0.125 10 0 DCAEMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630039490 396926490 /nfs/dbraw/zinc/92/64/90/396926490.db2.gz FQIYIDAHZQQKHK-ZIAGYGMSSA-N 1 1 314.426 0.125 10 0 DCAEMO 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IRDJOXTXIQXVIU-GFCCVEGCSA-N 1 1 308.407 0.715 10 0 DCAEMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000177303958 396171309 /nfs/dbraw/zinc/17/13/09/396171309.db2.gz NDGWVRLSNSZZLL-LBPRGKRZSA-N 1 1 319.409 0.110 10 0 DCAEMO CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000262737710 396177400 /nfs/dbraw/zinc/17/74/00/396177400.db2.gz CHDAEWHHUYMWMH-GFCCVEGCSA-N 1 1 305.369 0.553 10 0 DCAEMO C[C@H]1[NH2+]CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)[C@H]1C ZINC000262789596 396182437 /nfs/dbraw/zinc/18/24/37/396182437.db2.gz MYAYKJJUNGIKQD-KGLIPLIRSA-N 1 1 317.437 0.656 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCn2ccnn2)C1 ZINC000183571865 396270855 /nfs/dbraw/zinc/27/08/55/396270855.db2.gz DIVJWCDFPUNRNS-AWEZNQCLSA-N 1 1 324.429 0.324 10 0 DCAEMO C[N@@H+](CCNC(=O)Cn1cnc2c1ncnc2N)C1CCCC1 ZINC000264392614 396275933 /nfs/dbraw/zinc/27/59/33/396275933.db2.gz FGJLEJDCUWZBID-UHFFFAOYSA-N 1 1 317.397 0.399 10 0 DCAEMO NS(=O)(=O)CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000178901039 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Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](O)C[C@@H]3CO)C2=O)cc1 ZINC000184735451 396303807 /nfs/dbraw/zinc/30/38/07/396303807.db2.gz KDKSEJCHKVCYNP-OAGGEKHMSA-N 1 1 304.390 0.918 10 0 DCAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1cc(F)cc(F)c1 ZINC000185188889 396321269 /nfs/dbraw/zinc/32/12/69/396321269.db2.gz SLJIBAFGVLLMSP-OLZOCXBDSA-N 1 1 300.305 0.009 10 0 DCAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCc1cc(F)cc(F)c1 ZINC000185188889 396321270 /nfs/dbraw/zinc/32/12/70/396321270.db2.gz SLJIBAFGVLLMSP-OLZOCXBDSA-N 1 1 300.305 0.009 10 0 DCAEMO COCCCCS(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000186262678 396346174 /nfs/dbraw/zinc/34/61/74/396346174.db2.gz AXRGMYVMGCYYQD-AWEZNQCLSA-N 1 1 322.471 0.689 10 0 DCAEMO COCCCCS(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000186262678 396346177 /nfs/dbraw/zinc/34/61/77/396346177.db2.gz AXRGMYVMGCYYQD-AWEZNQCLSA-N 1 1 322.471 0.689 10 0 DCAEMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000284776126 396346369 /nfs/dbraw/zinc/34/63/69/396346369.db2.gz 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ZINC000285707963 396351767 /nfs/dbraw/zinc/35/17/67/396351767.db2.gz BRQGDEZXNCBVLB-UKRRQHHQSA-N 1 1 319.405 0.543 10 0 DCAEMO Cc1c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cnn1CC(C)C ZINC000188761476 396385588 /nfs/dbraw/zinc/38/55/88/396385588.db2.gz JLORAAZGGPVXCF-CYBMUJFWSA-N 1 1 308.426 0.986 10 0 DCAEMO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cnn1CC(C)C ZINC000188761476 396385590 /nfs/dbraw/zinc/38/55/90/396385590.db2.gz JLORAAZGGPVXCF-CYBMUJFWSA-N 1 1 308.426 0.986 10 0 DCAEMO CN1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1=O ZINC000191138652 396415674 /nfs/dbraw/zinc/41/56/74/396415674.db2.gz YQSJUUUXQXMVRO-UHFFFAOYSA-N 1 1 318.377 0.278 10 0 DCAEMO COc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000192918164 396440111 /nfs/dbraw/zinc/44/01/11/396440111.db2.gz QSAOANRMZNYZFL-VXGBXAGGSA-N 1 1 311.407 0.947 10 0 DCAEMO Cc1onc(N)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290647808 396468483 /nfs/dbraw/zinc/46/84/83/396468483.db2.gz DVUJPELZUBYEGN-PSASIEDQSA-N 1 1 302.400 0.668 10 0 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/nfs/dbraw/zinc/82/80/57/396828057.db2.gz OZFLHCPAMQNMCH-LSDHHAIUSA-N 1 1 308.426 0.070 10 0 DCAEMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCc2nccn2C1 ZINC000328638157 396829536 /nfs/dbraw/zinc/82/95/36/396829536.db2.gz OZFLHCPAMQNMCH-GJZGRUSLSA-N 1 1 308.426 0.070 10 0 DCAEMO CCN(Cc1nnc(C)o1)[C@@H]1C[N@H+]([C@H]2CCCC[C@H]2O)C[C@H]1O ZINC000328655990 396831522 /nfs/dbraw/zinc/83/15/22/396831522.db2.gz YXJMMLMBJKDFGB-GBJTYRQASA-N 1 1 324.425 0.549 10 0 DCAEMO Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC000564588205 396845665 /nfs/dbraw/zinc/84/56/65/396845665.db2.gz GBSRZMUYXXFNEO-ZIAGYGMSSA-N 1 1 307.398 0.144 10 0 DCAEMO Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC000564588205 396845675 /nfs/dbraw/zinc/84/56/75/396845675.db2.gz GBSRZMUYXXFNEO-ZIAGYGMSSA-N 1 1 307.398 0.144 10 0 DCAEMO COC(=O)[C@H](C)[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC000564836042 396877768 /nfs/dbraw/zinc/87/77/68/396877768.db2.gz FXZZTYDPSUGBGQ-QEJZJMRPSA-N 1 1 315.410 0.959 10 0 DCAEMO 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/nfs/dbraw/zinc/92/84/11/396928411.db2.gz UIGCDTMSSKSTDP-UONOGXRCSA-N 1 1 310.442 0.884 10 0 DCAEMO Cn1cc(O[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)cn1 ZINC000625624344 396956525 /nfs/dbraw/zinc/95/65/25/396956525.db2.gz JRPTWRUIJFUIJI-HZPDHXFCSA-N 1 1 303.362 0.923 10 0 DCAEMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCOCC1CCC1 ZINC000572810520 397097505 /nfs/dbraw/zinc/09/75/05/397097505.db2.gz GEZOUGGSQOYZMU-AWEZNQCLSA-N 1 1 312.458 0.738 10 0 DCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000573536041 397177766 /nfs/dbraw/zinc/17/77/66/397177766.db2.gz RDUYWCUAFDFFKQ-RHSMWYFYSA-N 1 1 323.437 0.568 10 0 DCAEMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385826891 397285488 /nfs/dbraw/zinc/28/54/88/397285488.db2.gz SNAAPWRJSNFDFN-MELADBBJSA-N 1 1 304.456 0.751 10 0 DCAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000407961955 397337898 /nfs/dbraw/zinc/33/78/98/397337898.db2.gz KYRQMILIOWGDEK-LOWDOPEQSA-N 1 1 313.398 0.082 10 0 DCAEMO 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/nfs/dbraw/zinc/30/35/61/417303561.db2.gz MDAKTTYYQJPJTK-KBPBESRZSA-N 1 1 324.421 0.899 10 0 DCAEMO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)CC12COC2 ZINC000451135057 417307900 /nfs/dbraw/zinc/30/79/00/417307900.db2.gz MDAKTTYYQJPJTK-ZIAGYGMSSA-N 1 1 324.421 0.899 10 0 DCAEMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2nnnn2C)C1 ZINC000531807105 417641053 /nfs/dbraw/zinc/64/10/53/417641053.db2.gz NTWUDFVOYIYZJZ-LBPRGKRZSA-N 1 1 309.418 0.329 10 0 DCAEMO CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000532116946 417660629 /nfs/dbraw/zinc/66/06/29/417660629.db2.gz LDGKLGABWAIBDF-VXGBXAGGSA-N 1 1 309.414 0.326 10 0 DCAEMO CO[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000639356771 417665116 /nfs/dbraw/zinc/66/51/16/417665116.db2.gz GWZMANXRPKDMIM-ARFHVFGLSA-N 1 1 302.378 0.753 10 0 DCAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](O)Cn1ccnn1 ZINC000457919961 417708832 /nfs/dbraw/zinc/70/88/32/417708832.db2.gz AMWHENUOESPKRY-HZSPNIEDSA-N 1 1 324.429 0.059 10 0 DCAEMO 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158174633 /nfs/dbraw/zinc/17/46/33/158174633.db2.gz LLIALXUKLLRREQ-UHFFFAOYSA-N 1 1 324.425 0.509 10 0 DCAEMO COCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000118107367 158176235 /nfs/dbraw/zinc/17/62/35/158176235.db2.gz MKAVQDLZBGEHHH-ZDUSSCGKSA-N 1 1 305.378 0.982 10 0 DCAEMO CCN(C1CC[NH+]([C@H]2CCCCNC2=O)CC1)S(C)(=O)=O ZINC000120315267 158196041 /nfs/dbraw/zinc/19/60/41/158196041.db2.gz GBBXJQFNCDNAGP-ZDUSSCGKSA-N 1 1 317.455 0.401 10 0 DCAEMO CCN(CC)C(=O)CCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120675228 158201816 /nfs/dbraw/zinc/20/18/16/158201816.db2.gz CJBDKNAPKJLPAA-UONOGXRCSA-N 1 1 313.442 0.549 10 0 DCAEMO CN1CCN(c2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000130151476 158293871 /nfs/dbraw/zinc/29/38/71/158293871.db2.gz IPJMHGRVPDPATB-CQSZACIVSA-N 1 1 317.437 0.563 10 0 DCAEMO Cc1cc(=O)[nH]cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000132343736 158310307 /nfs/dbraw/zinc/31/03/07/158310307.db2.gz BPEUCNASGHOLQP-JSGCOSHPSA-N 1 1 305.378 0.476 10 0 DCAEMO CC[C@@H]1CN(c2cncc(OCCO)n2)CC[N@H+]1C[C@@H](C)O ZINC000133325796 158318362 /nfs/dbraw/zinc/31/83/62/158318362.db2.gz QEROVGQIRWVVMM-CHWSQXEVSA-N 1 1 310.398 0.129 10 0 DCAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000135401310 158335962 /nfs/dbraw/zinc/33/59/62/158335962.db2.gz DPVAQUHJLIMWPW-GJZGRUSLSA-N 1 1 306.362 0.623 10 0 DCAEMO C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000135401310 158335965 /nfs/dbraw/zinc/33/59/65/158335965.db2.gz DPVAQUHJLIMWPW-GJZGRUSLSA-N 1 1 306.362 0.623 10 0 DCAEMO CN1CCN([C@@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070318 158341508 /nfs/dbraw/zinc/34/15/08/158341508.db2.gz SWWQHLHPAQLYCZ-MRXNPFEDSA-N 1 1 308.470 0.711 10 0 DCAEMO CC(C)N1CC[C@@H](NC(=O)N2CCC[N@H+](C3CC3)CC2)C1=O ZINC000172233879 158392101 /nfs/dbraw/zinc/39/21/01/158392101.db2.gz AJDPSWHMHDAKKD-CQSZACIVSA-N 1 1 308.426 0.875 10 0 DCAEMO CC(=O)c1c[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000181444854 158486329 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CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](Oc3ccccn3)C2)[N@@H+](C)C1 ZINC000329003226 159050594 /nfs/dbraw/zinc/05/05/94/159050594.db2.gz YAFPNJFPLPODMN-RDBSUJKOSA-N 1 1 305.378 0.780 10 0 DCAEMO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)O1 ZINC000329289513 159080125 /nfs/dbraw/zinc/08/01/25/159080125.db2.gz ICMBFAHAYDSCRH-YJNKXOJESA-N 1 1 323.437 0.565 10 0 DCAEMO Cc1cc(C)n2nc(CC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)nc2n1 ZINC000329906610 159127333 /nfs/dbraw/zinc/12/73/33/159127333.db2.gz KFRUDTHEFFADLR-BETUJISGSA-N 1 1 314.393 0.304 10 0 DCAEMO CCn1nccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000329975847 159132462 /nfs/dbraw/zinc/13/24/62/159132462.db2.gz DVKSWSSLSRVOPS-GFCCVEGCSA-N 1 1 300.428 0.913 10 0 DCAEMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000368222212 159382984 /nfs/dbraw/zinc/38/29/84/159382984.db2.gz PUXSFNVGMFMQRF-NSHDSACASA-N 1 1 305.382 0.809 10 0 DCAEMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000407996477 160006011 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/nfs/dbraw/zinc/08/14/07/160081407.db2.gz GMKYUWUPIVXPFO-UKRRQHHQSA-N 1 1 323.437 0.757 10 0 DCAEMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000408307419 160081409 /nfs/dbraw/zinc/08/14/09/160081409.db2.gz GMKYUWUPIVXPFO-UKRRQHHQSA-N 1 1 323.437 0.757 10 0 DCAEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408306939 160081443 /nfs/dbraw/zinc/08/14/43/160081443.db2.gz RNJPUYRDVMNNSA-SECBINFHSA-N 1 1 315.370 0.249 10 0 DCAEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 ZINC000408306939 160081445 /nfs/dbraw/zinc/08/14/45/160081445.db2.gz RNJPUYRDVMNNSA-SECBINFHSA-N 1 1 315.370 0.249 10 0 DCAEMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000408374631 160094468 /nfs/dbraw/zinc/09/44/68/160094468.db2.gz IMOKYAINLFPKAT-MCIONIFRSA-N 1 1 308.426 0.733 10 0 DCAEMO CCn1cncc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000408394257 160099924 /nfs/dbraw/zinc/09/99/24/160099924.db2.gz OSKOGJTTZFYTIV-RYUDHWBXSA-N 1 1 300.428 0.864 10 0 DCAEMO 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311.426 0.565 10 0 DCAEMO C[C@]12CCC(=O)N1[C@H](C(=O)N1CC[N@H+]3CCC[C@H]3C1)CS2 ZINC000247385403 287093230 /nfs/dbraw/zinc/09/32/30/287093230.db2.gz WKULMVUEJZJSJZ-HUBLWGQQSA-N 1 1 309.435 0.747 10 0 DCAEMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CCN1C ZINC000247404746 287093735 /nfs/dbraw/zinc/09/37/35/287093735.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 1 1 300.443 0.957 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000247120857 287091457 /nfs/dbraw/zinc/09/14/57/287091457.db2.gz JRPQGSCXUCKQHN-AJNGGQMLSA-N 1 1 313.442 0.009 10 0 DCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCOC2=O)C1 ZINC000247489253 287094337 /nfs/dbraw/zinc/09/43/37/287094337.db2.gz WTLBXJGXFJDVEZ-CHWSQXEVSA-N 1 1 312.414 0.857 10 0 DCAEMO CCN(CCS(C)(=O)=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245534310 685157329 /nfs/dbraw/zinc/15/73/29/685157329.db2.gz YOUYRSQBZYOXBI-OLZOCXBDSA-N 1 1 319.471 0.791 10 0 DCAEMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@@H]1C 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CCC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000332787071 415475014 /nfs/dbraw/zinc/47/50/14/415475014.db2.gz CHKDAOHSEDKNNI-YPMHNXCESA-N 1 1 311.451 0.898 10 0 DCAEMO C[N@H+](CC(=O)N1CCCC1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000279415256 415514966 /nfs/dbraw/zinc/51/49/66/415514966.db2.gz WJFZWJWFQJCUGY-KBPBESRZSA-N 1 1 321.400 0.948 10 0 DCAEMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090799378 415532514 /nfs/dbraw/zinc/53/25/14/415532514.db2.gz MCWPVRCDUQEYQH-RQJABVFESA-N 1 1 303.472 0.729 10 0 DCAEMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090799378 415532521 /nfs/dbraw/zinc/53/25/21/415532521.db2.gz MCWPVRCDUQEYQH-RQJABVFESA-N 1 1 303.472 0.729 10 0 DCAEMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799378 415532526 /nfs/dbraw/zinc/53/25/26/415532526.db2.gz MCWPVRCDUQEYQH-RQJABVFESA-N 1 1 303.472 0.729 10 0 DCAEMO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701122 415543590 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416384706 /nfs/dbraw/zinc/38/47/06/416384706.db2.gz ODTNVSNHTNXBIH-UHFFFAOYSA-N 1 1 308.430 0.231 10 0 DCAEMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000532745158 416452648 /nfs/dbraw/zinc/45/26/48/416452648.db2.gz YDHPSXLXQBBJNZ-MJBXVCDLSA-N 1 1 301.383 0.570 10 0 DCAEMO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+](C)CCCO)c1 ZINC000440947103 416654318 /nfs/dbraw/zinc/65/43/18/416654318.db2.gz XGYJTJNOSDTMRY-UHFFFAOYSA-N 1 1 323.393 0.406 10 0 DCAEMO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+](C)CCCO)c1 ZINC000440947103 416654320 /nfs/dbraw/zinc/65/43/20/416654320.db2.gz XGYJTJNOSDTMRY-UHFFFAOYSA-N 1 1 323.393 0.406 10 0 DCAEMO CO[C@@H](C)[C@@H](C)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000514698695 416672131 /nfs/dbraw/zinc/67/21/31/416672131.db2.gz DGWKSRWVVYWVPG-FRRDWIJNSA-N 1 1 314.430 0.296 10 0 DCAEMO c1cn(CCCCNc2cc[nH+]c(N3CCOCC3)n2)cn1 ZINC000546051322 416676711 /nfs/dbraw/zinc/67/67/11/416676711.db2.gz MRKFQDSYCTWCAX-UHFFFAOYSA-N 1 1 302.382 1.402 10 0 DCAEMO 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/nfs/dbraw/zinc/40/64/79/397406479.db2.gz QNURKYGGKDKHKN-ZDUSSCGKSA-N 1 1 312.410 0.899 10 0 DCAEMO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000370534291 397498427 /nfs/dbraw/zinc/49/84/27/397498427.db2.gz SDJAWWAUUVUXRC-LRDDRELGSA-N 1 1 311.426 0.478 10 0 DCAEMO O=C(CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)NCc1ccco1 ZINC000604162330 397631856 /nfs/dbraw/zinc/63/18/56/397631856.db2.gz IMISFAPJHSYOEF-NSHDSACASA-N 1 1 306.366 0.432 10 0 DCAEMO O=C(c1cn2cccnc2n1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607928295 397707356 /nfs/dbraw/zinc/70/73/56/397707356.db2.gz PRNDJEQHZUFGBX-CYBMUJFWSA-N 1 1 315.377 0.524 10 0 DCAEMO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CC1(C)C ZINC000608648007 397743163 /nfs/dbraw/zinc/74/31/63/397743163.db2.gz VSAYKAQDGNKCMH-RBSFLKMASA-N 1 1 324.469 0.831 10 0 DCAEMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)N[C@@H]1CC1(C)C ZINC000608648007 397743166 /nfs/dbraw/zinc/74/31/66/397743166.db2.gz VSAYKAQDGNKCMH-RBSFLKMASA-N 1 1 324.469 0.831 10 0 DCAEMO 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160013203 /nfs/dbraw/zinc/01/32/03/160013203.db2.gz GQRJJOAAWFMRJM-CYBMUJFWSA-N 1 1 317.455 0.259 10 0 DCAEMO CC[C@@H]1CN(C(=O)[C@@]2(O)CCSC2)CC[N@H+]1C[C@@H](C)O ZINC000408045131 160021315 /nfs/dbraw/zinc/02/13/15/160021315.db2.gz YKKMTLVCCAUDDM-YRGRVCCFSA-N 1 1 302.440 0.158 10 0 DCAEMO COC(=O)C1CCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000408090228 160033724 /nfs/dbraw/zinc/03/37/24/160033724.db2.gz CEPSBLQAVOKMBL-CQSZACIVSA-N 1 1 309.410 0.178 10 0 DCAEMO CNS(=O)(=O)CCC[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000408130843 160043555 /nfs/dbraw/zinc/04/35/55/160043555.db2.gz FNKRJYPVJJQGIR-UHFFFAOYSA-N 1 1 320.459 0.004 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000408130843 160043557 /nfs/dbraw/zinc/04/35/57/160043557.db2.gz FNKRJYPVJJQGIR-UHFFFAOYSA-N 1 1 320.459 0.004 10 0 DCAEMO CC[C@@H]1C[C@@H](C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC(=O)N1 ZINC000408200916 160058330 /nfs/dbraw/zinc/05/83/30/160058330.db2.gz FUARPWDNVYVCBJ-CHWSQXEVSA-N 1 1 319.409 0.374 10 0 DCAEMO 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CC[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000176616713 416130285 /nfs/dbraw/zinc/13/02/85/416130285.db2.gz RVIIFTHKGJNIFM-CQSZACIVSA-N 1 1 324.425 0.113 10 0 DCAEMO C[C@@H](CN1CC[NH+](CC2CCOCC2)CC1)CS(C)(=O)=O ZINC000176990813 416138591 /nfs/dbraw/zinc/13/85/91/416138591.db2.gz ANHFKWGLUWQCKM-AWEZNQCLSA-N 1 1 318.483 0.711 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000177700944 416149468 /nfs/dbraw/zinc/14/94/68/416149468.db2.gz CBCKUCZTBNVOAP-ZFWWWQNUSA-N 1 1 324.469 0.528 10 0 DCAEMO c1cn2ccc(CNc3cc[nH+]c(N4CCOCC4)n3)cc2n1 ZINC000357445642 416080955 /nfs/dbraw/zinc/08/09/55/416080955.db2.gz ZVPAFEZNXRLWRC-UHFFFAOYSA-N 1 1 310.361 1.573 10 0 DCAEMO COCCOCC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178602153 416166793 /nfs/dbraw/zinc/16/67/93/416166793.db2.gz SNKKTFYUDUZDLD-ZDUSSCGKSA-N 1 1 306.428 0.149 10 0 DCAEMO NC(=O)N[C@H]1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000358053712 416179105 /nfs/dbraw/zinc/17/91/05/416179105.db2.gz 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YJJBOVKVPHTTGD-LLVKDONJSA-N 1 1 308.769 0.980 10 0 DCAEMO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190492460 416279755 /nfs/dbraw/zinc/27/97/55/416279755.db2.gz KXLCHXINMXCPEZ-CQSZACIVSA-N 1 1 304.456 0.895 10 0 DCAEMO CC1(C)C[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC(C)(C)O1 ZINC000190528831 416280091 /nfs/dbraw/zinc/28/00/91/416280091.db2.gz GIQMDPNIWWURFY-LBPRGKRZSA-N 1 1 311.426 0.600 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000247072746 416332536 /nfs/dbraw/zinc/33/25/36/416332536.db2.gz GPXGQVVFFSAJIJ-FPCVCCKLSA-N 1 1 311.470 0.878 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C[C@H](C)O1 ZINC000247315644 416332807 /nfs/dbraw/zinc/33/28/07/416332807.db2.gz OHSCJCXWIQUVJW-FQUUOJAGSA-N 1 1 317.455 0.509 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@@H](C)C2)C1 ZINC000248217239 416333228 /nfs/dbraw/zinc/33/32/28/416333228.db2.gz GSYUKPXVQMHTRB-GJZGRUSLSA-N 1 1 313.442 0.180 10 0 DCAEMO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000248909932 416333948 /nfs/dbraw/zinc/33/39/48/416333948.db2.gz BVADACVGFVCXNX-HUUCEWRRSA-N 1 1 323.441 0.980 10 0 DCAEMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000263475402 416338184 /nfs/dbraw/zinc/33/81/84/416338184.db2.gz MKUFZJMERMXMKS-MOKVOYLWSA-N 1 1 324.425 0.414 10 0 DCAEMO C[N@H+]1[C@@H]2C[C@@H](OC(=O)[C@@](O)(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000263584066 416338479 /nfs/dbraw/zinc/33/84/79/416338479.db2.gz JEJREKXHLFEVHN-DFGCRIRUSA-N 1 1 319.357 0.022 10 0 DCAEMO C[N@@H+]1[C@@H]2C[C@@H](OC(=O)[C@@](O)(CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]12 ZINC000263584066 416338480 /nfs/dbraw/zinc/33/84/80/416338480.db2.gz JEJREKXHLFEVHN-DFGCRIRUSA-N 1 1 319.357 0.022 10 0 DCAEMO CCOCc1nc([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)no1 ZINC000359490981 416347888 /nfs/dbraw/zinc/34/78/88/416347888.db2.gz CAOWZEHJXZBMBZ-GHMZBOCLSA-N 1 1 312.370 0.504 10 0 DCAEMO CCOCc1nc([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)no1 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/nfs/dbraw/zinc/95/06/88/395950688.db2.gz GORJGTMRQNLWNO-KGLIPLIRSA-N 1 1 304.456 0.464 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)cc(O)cc1=O ZINC000246562421 395952847 /nfs/dbraw/zinc/95/28/47/395952847.db2.gz RJMSKAJQTOMZJG-KBPBESRZSA-N 1 1 319.405 0.948 10 0 DCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000246809712 395957603 /nfs/dbraw/zinc/95/76/03/395957603.db2.gz DGJCXLLCUSSXIE-WDEREUQCSA-N 1 1 310.398 0.162 10 0 DCAEMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000247001690 395963745 /nfs/dbraw/zinc/96/37/45/395963745.db2.gz GRHSWJIPHDUNEV-QWHCGFSZSA-N 1 1 314.407 0.050 10 0 DCAEMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000247001690 395963748 /nfs/dbraw/zinc/96/37/48/395963748.db2.gz GRHSWJIPHDUNEV-QWHCGFSZSA-N 1 1 314.407 0.050 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000247274203 395970637 /nfs/dbraw/zinc/97/06/37/395970637.db2.gz SFPIBLKGTQRHJK-RBSFLKMASA-N 1 1 313.442 0.948 10 0 DCAEMO 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/nfs/dbraw/zinc/98/71/17/395987117.db2.gz RQQNUOMWRMSTPG-GXTWGEPZSA-N 1 1 321.425 0.727 10 0 DCAEMO CCC[N@H+](CC)CCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992055 /nfs/dbraw/zinc/99/20/55/395992055.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 1 1 314.474 0.815 10 0 DCAEMO CCC[N@@H+](CC)CCNC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992057 /nfs/dbraw/zinc/99/20/57/395992057.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 1 1 314.474 0.815 10 0 DCAEMO C[C@@H](C(=O)N1CCN(c2cccnn2)CC1)[NH+]1CCSCC1 ZINC000151965534 395997327 /nfs/dbraw/zinc/99/73/27/395997327.db2.gz MVZNPZPUVLWGCN-ZDUSSCGKSA-N 1 1 321.450 0.563 10 0 DCAEMO CC(C)[C@@H](O)CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000153253932 396022869 /nfs/dbraw/zinc/02/28/69/396022869.db2.gz YINQYEUOYZZPGV-GJZGRUSLSA-N 1 1 314.474 0.575 10 0 DCAEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000252656309 396022938 /nfs/dbraw/zinc/02/29/38/396022938.db2.gz CQVBYVCBGCMDKO-GXTWGEPZSA-N 1 1 302.378 0.737 10 0 DCAEMO 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ZINC000280376598 396196995 /nfs/dbraw/zinc/19/69/95/396196995.db2.gz DDVIYPKKAZRAAU-WMLDXEAASA-N 1 1 319.405 0.214 10 0 DCAEMO Cc1ccn(C[C@@](C)(O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(=O)c1 ZINC000280376591 396197070 /nfs/dbraw/zinc/19/70/70/396197070.db2.gz DDVIYPKKAZRAAU-RHSMWYFYSA-N 1 1 319.405 0.214 10 0 DCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nncs2)CC1 ZINC000178581298 396200156 /nfs/dbraw/zinc/20/01/56/396200156.db2.gz HOAMTHGEGFLRSD-SNVBAGLBSA-N 1 1 324.410 0.308 10 0 DCAEMO CNC(=O)[C@@H](NC(=O)C[N@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000076297248 396200448 /nfs/dbraw/zinc/20/04/48/396200448.db2.gz HTULDRMXDUMAFK-HOCLYGCPSA-N 1 1 319.405 0.701 10 0 DCAEMO CNC(=O)[C@@H](NC(=O)C[N@@H+](C)C[C@@H]1CCCO1)c1ccccc1 ZINC000076297248 396200450 /nfs/dbraw/zinc/20/04/50/396200450.db2.gz HTULDRMXDUMAFK-HOCLYGCPSA-N 1 1 319.405 0.701 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCC(C)(C)CO)C[C@H]1C ZINC000180761062 396234540 /nfs/dbraw/zinc/23/45/40/396234540.db2.gz WHSIQEHQEIWZBY-ZIAGYGMSSA-N 1 1 315.458 0.882 10 0 DCAEMO C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181523545 396239776 /nfs/dbraw/zinc/23/97/76/396239776.db2.gz KSJCCAHPMWAERP-WZRBSPASSA-N 1 1 322.409 0.354 10 0 DCAEMO C[C@@H](O)C1CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181869284 396242844 /nfs/dbraw/zinc/24/28/44/396242844.db2.gz DUHAOHOBLQGHSK-LLVKDONJSA-N 1 1 300.399 0.537 10 0 DCAEMO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000182041922 396246169 /nfs/dbraw/zinc/24/61/69/396246169.db2.gz OSSQFJQGCVCHNU-ROUUACIJSA-N 1 1 322.449 0.869 10 0 DCAEMO CCOCC[NH+]1CCN(C(=O)NCCCn2ccnn2)CC1 ZINC000182463742 396250826 /nfs/dbraw/zinc/25/08/26/396250826.db2.gz WLDKXYWGAGKEQC-UHFFFAOYSA-N 1 1 310.402 0.032 10 0 DCAEMO CCc1noc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000078657011 396250844 /nfs/dbraw/zinc/25/08/44/396250844.db2.gz WSQANDBGBDBUQO-LBPRGKRZSA-N 1 1 308.382 0.703 10 0 DCAEMO CCc1noc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)n1 ZINC000078657011 396250847 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CCc1ncc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000178941446 396215245 /nfs/dbraw/zinc/21/52/45/396215245.db2.gz BDPNXYDJRBRTSP-GFCCVEGCSA-N 1 1 303.366 0.284 10 0 DCAEMO Cn1cc(-c2cc(C[N@H+]3CC[C@H](N4CCOCC4)C3)on2)cn1 ZINC000185011855 396314469 /nfs/dbraw/zinc/31/44/69/396314469.db2.gz IOWYEPVZZGRFPX-AWEZNQCLSA-N 1 1 317.393 0.982 10 0 DCAEMO CC[NH+](CC)CCNC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000185188804 396320987 /nfs/dbraw/zinc/32/09/87/396320987.db2.gz UTHNMNCVMJSPJW-ZIAGYGMSSA-N 1 1 300.447 0.425 10 0 DCAEMO CCn1cnc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000080735223 396285529 /nfs/dbraw/zinc/28/55/29/396285529.db2.gz XFEOUGVZMMYDSA-LBPRGKRZSA-N 1 1 300.428 0.913 10 0 DCAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(Cl)cc1 ZINC000185156363 396319637 /nfs/dbraw/zinc/31/96/37/396319637.db2.gz XSTOWHBULHRDRB-KGLIPLIRSA-N 1 1 312.797 0.426 10 0 DCAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCc1ccc(Cl)cc1 ZINC000185156363 396319641 /nfs/dbraw/zinc/31/96/41/396319641.db2.gz XSTOWHBULHRDRB-KGLIPLIRSA-N 1 1 312.797 0.426 10 0 DCAEMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185141721 396319886 /nfs/dbraw/zinc/31/98/86/396319886.db2.gz LGFSZYSLPPEQCZ-OLZOCXBDSA-N 1 1 318.373 0.490 10 0 DCAEMO O=C1[C@H]([N@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1cccc(Cl)c1 ZINC000184715850 396302645 /nfs/dbraw/zinc/30/26/45/396302645.db2.gz OFSLEPSQYIPAFL-MGPQQGTHSA-N 1 1 310.781 0.873 10 0 DCAEMO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@@H]2CO)CCN1c1cccc(Cl)c1 ZINC000184715850 396302650 /nfs/dbraw/zinc/30/26/50/396302650.db2.gz OFSLEPSQYIPAFL-MGPQQGTHSA-N 1 1 310.781 0.873 10 0 DCAEMO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185175964 396320589 /nfs/dbraw/zinc/32/05/89/396320589.db2.gz VSGGEVGHAWWJAU-IAGOWNOFSA-N 1 1 318.417 0.914 10 0 DCAEMO Cc1ccc(CN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)C2CC2)cc1 ZINC000185175964 396320590 /nfs/dbraw/zinc/32/05/90/396320590.db2.gz VSGGEVGHAWWJAU-IAGOWNOFSA-N 1 1 318.417 0.914 10 0 DCAEMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000185936459 396337668 /nfs/dbraw/zinc/33/76/68/396337668.db2.gz XHBHEZUDCRBBOD-SWLSCSKDSA-N 1 1 300.399 0.273 10 0 DCAEMO Cc1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(C)n1 ZINC000187005039 396362057 /nfs/dbraw/zinc/36/20/57/396362057.db2.gz NYCPIJQCDJYHLA-CYBMUJFWSA-N 1 1 312.439 0.704 10 0 DCAEMO COc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)ccc1F ZINC000187409521 396369265 /nfs/dbraw/zinc/36/92/65/396369265.db2.gz BZNBZRCIXWJWLH-NSHDSACASA-N 1 1 309.341 0.983 10 0 DCAEMO C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000186428154 396349968 /nfs/dbraw/zinc/34/99/68/396349968.db2.gz FBYCQXXYZROFLQ-DYEKYZERSA-N 1 1 319.409 0.465 10 0 DCAEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000188682476 396384899 /nfs/dbraw/zinc/38/48/99/396384899.db2.gz UVFWOAZPJHYXDW-IHRRRGAJSA-N 1 1 312.410 0.897 10 0 DCAEMO COCc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)[C@H](C(N)=O)C2)c1 ZINC000286291255 396386172 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C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCSC[C@H]1CCO ZINC000561143680 396631136 /nfs/dbraw/zinc/63/11/36/396631136.db2.gz AXLSYDHBWBQELI-MRVWCRGKSA-N 1 1 313.467 0.979 10 0 DCAEMO c1ccc(N2CCO[C@@H](C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)C2)cc1 ZINC000563357190 396723149 /nfs/dbraw/zinc/72/31/49/396723149.db2.gz ZUYHWHMNPLZEIV-YESZJQIVSA-N 1 1 304.390 0.991 10 0 DCAEMO c1ccc(N2CCO[C@@H](C[N@H+]3C[C@@H]4COC[C@H](C3)O4)C2)cc1 ZINC000563357190 396723154 /nfs/dbraw/zinc/72/31/54/396723154.db2.gz ZUYHWHMNPLZEIV-YESZJQIVSA-N 1 1 304.390 0.991 10 0 DCAEMO C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCc2nccn2C1 ZINC000328626825 396825315 /nfs/dbraw/zinc/82/53/15/396825315.db2.gz FLUCUNAIQZWDDC-LBPRGKRZSA-N 1 1 305.382 0.176 10 0 DCAEMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000332821251 396895203 /nfs/dbraw/zinc/89/52/03/396895203.db2.gz BARHWLURQLEFJL-XDQVBPFNSA-N 1 1 322.413 0.200 10 0 DCAEMO COC(=O)[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614296 396896312 /nfs/dbraw/zinc/89/63/12/396896312.db2.gz GOBKWTZSLOMTHY-UEKVPHQBSA-N 1 1 309.366 0.248 10 0 DCAEMO Cc1cnn(CC[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000592419268 397171538 /nfs/dbraw/zinc/17/15/38/397171538.db2.gz LPXMUVNACOYDQZ-HNNXBMFYSA-N 1 1 306.410 0.905 10 0 DCAEMO C[C@H](C[NH2+]Cc1c(Br)cnn1C)S(C)(=O)=O ZINC000381138826 397270478 /nfs/dbraw/zinc/27/04/78/397270478.db2.gz MEENLJUWFNOMLT-SSDOTTSWSA-N 1 1 310.217 0.705 10 0 DCAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000407950427 397333724 /nfs/dbraw/zinc/33/37/24/397333724.db2.gz FTCUIQRRSFJDGV-RYUDHWBXSA-N 1 1 312.332 0.069 10 0 DCAEMO CS(=O)(=O)Nc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000407952442 397334513 /nfs/dbraw/zinc/33/45/13/397334513.db2.gz HHMHVAJPYZIHAT-CQSZACIVSA-N 1 1 323.418 0.978 10 0 DCAEMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000408277231 397352087 /nfs/dbraw/zinc/35/20/87/397352087.db2.gz NYEMLKYXUWIYHS-GRYCIOLGSA-N 1 1 303.428 0.009 10 0 DCAEMO 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416655575 /nfs/dbraw/zinc/65/55/75/416655575.db2.gz CQDNEDREILWEAY-HNNXBMFYSA-N 1 1 320.389 0.427 10 0 DCAEMO CN(CC[N@H+](C)CCO)Cc1ccc(S(C)(=O)=O)cc1 ZINC000623091495 416743864 /nfs/dbraw/zinc/74/38/64/416743864.db2.gz FFRUDTNURACPPM-UHFFFAOYSA-N 1 1 300.424 0.446 10 0 DCAEMO CN(CC[N@@H+](C)CCO)Cc1ccc(S(C)(=O)=O)cc1 ZINC000623091495 416743870 /nfs/dbraw/zinc/74/38/70/416743870.db2.gz FFRUDTNURACPPM-UHFFFAOYSA-N 1 1 300.424 0.446 10 0 DCAEMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@H+]1C ZINC000442140312 416687911 /nfs/dbraw/zinc/68/79/11/416687911.db2.gz RRMGAIIQDMROIS-NEPJUHHUSA-N 1 1 319.409 0.685 10 0 DCAEMO C[C@@H]1CCOCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000373029893 416950019 /nfs/dbraw/zinc/95/00/19/416950019.db2.gz VCVUMRVAEIZCBS-CQSZACIVSA-N 1 1 312.458 0.833 10 0 DCAEMO C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000373913312 416968310 /nfs/dbraw/zinc/96/83/10/416968310.db2.gz UGKQMZRYZOKHGP-JHJVBQTASA-N 1 1 317.455 0.352 10 0 DCAEMO 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/nfs/dbraw/zinc/01/33/58/396013358.db2.gz CQWYIDJUZSZCLF-FZMZJTMJSA-N 1 1 318.377 0.911 10 0 DCAEMO O=C(C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)NC(=O)NCC(F)(F)F ZINC000152812811 396016043 /nfs/dbraw/zinc/01/60/43/396016043.db2.gz DUTCRQNGCKNCCQ-ZJUUUORDSA-N 1 1 323.315 0.875 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1nc2ncccn2n1 ZINC000252443600 396018906 /nfs/dbraw/zinc/01/89/06/396018906.db2.gz DAVSCISGOWAXQN-RYUDHWBXSA-N 1 1 300.366 0.362 10 0 DCAEMO C[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000170684550 396096901 /nfs/dbraw/zinc/09/69/01/396096901.db2.gz VCVCKJKJYGRRBX-HNNXBMFYSA-N 1 1 313.442 0.326 10 0 DCAEMO Cc1cc(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000175731485 396141807 /nfs/dbraw/zinc/14/18/07/396141807.db2.gz KBRJNQPOFMTYLY-RISCZKNCSA-N 1 1 308.382 0.845 10 0 DCAEMO O=S(=O)(N1CCOCC1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171279135 396112366 /nfs/dbraw/zinc/11/23/66/396112366.db2.gz LATQGGVSBASFGM-AWEZNQCLSA-N 1 1 315.439 0.290 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000171651836 396121428 /nfs/dbraw/zinc/12/14/28/396121428.db2.gz GUXCBVKINONDDE-NSHDSACASA-N 1 1 312.801 0.846 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000171652417 396121612 /nfs/dbraw/zinc/12/16/12/396121612.db2.gz ZRCMTBVDHSYEBX-GFCCVEGCSA-N 1 1 318.377 0.385 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)C[C@@H]1CCOC1 ZINC000171964888 396127351 /nfs/dbraw/zinc/12/73/51/396127351.db2.gz IPIZHGAYEJEZTD-CHWSQXEVSA-N 1 1 306.428 0.053 10 0 DCAEMO Cn1c(=O)cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)n(C)c1=O ZINC000172068029 396128370 /nfs/dbraw/zinc/12/83/70/396128370.db2.gz XDXQFQXHWCWLCN-CYBMUJFWSA-N 1 1 303.366 0.534 10 0 DCAEMO Cn1c(=O)cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)n(C)c1=O ZINC000172068029 396128373 /nfs/dbraw/zinc/12/83/73/396128373.db2.gz XDXQFQXHWCWLCN-CYBMUJFWSA-N 1 1 303.366 0.534 10 0 DCAEMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NC(=O)NC1CCCC1 ZINC000173985080 396137121 /nfs/dbraw/zinc/13/71/21/396137121.db2.gz 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ZINC000262581046 396158541 /nfs/dbraw/zinc/15/85/41/396158541.db2.gz JMOCCSSFEPYBFZ-UHFFFAOYSA-N 1 1 319.453 0.890 10 0 DCAEMO CCc1nnc2ccc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)nn21 ZINC000176705354 396158827 /nfs/dbraw/zinc/15/88/27/396158827.db2.gz WJLIYDJYQLEYAJ-CHWSQXEVSA-N 1 1 316.409 0.844 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177234467 396170369 /nfs/dbraw/zinc/17/03/69/396170369.db2.gz JYNSFZKLLYNZRN-TZMCWYRMSA-N 1 1 320.393 0.570 10 0 DCAEMO Cc1cccc(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000177366702 396172799 /nfs/dbraw/zinc/17/27/99/396172799.db2.gz PFZFKGADBZBVBY-INIZCTEOSA-N 1 1 321.421 0.558 10 0 DCAEMO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000279457114 396176684 /nfs/dbraw/zinc/17/66/84/396176684.db2.gz ONGAAQGAMAKYBR-OBJOEFQTSA-N 1 1 319.409 0.372 10 0 DCAEMO C[N@H+](C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CCNC1=O ZINC000178199913 396191209 /nfs/dbraw/zinc/19/12/09/396191209.db2.gz KTYNJYYAGKDQIL-CHWSQXEVSA-N 1 1 309.435 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/nfs/dbraw/zinc/26/49/50/416264950.db2.gz GEVYPRRIOMMKST-KGLIPLIRSA-N 1 1 311.426 0.303 10 0 DCAEMO CC[NH+]1CCN(C(=O)NC2CCN(C(=O)C(C)C)CC2)CC1 ZINC000193263517 416314250 /nfs/dbraw/zinc/31/42/50/416314250.db2.gz AXCPBIFNRFGBSW-UHFFFAOYSA-N 1 1 310.442 0.981 10 0 DCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C[C@@H](C)O)[C@@H](C)CO ZINC000190766352 416281607 /nfs/dbraw/zinc/28/16/07/416281607.db2.gz RVHQYQDVFYOOAY-RRFJBIMHSA-N 1 1 315.458 0.880 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248345268 416333429 /nfs/dbraw/zinc/33/34/29/416333429.db2.gz MOXPJTJGWMRDDY-UPJWGTAASA-N 1 1 317.393 0.458 10 0 DCAEMO C[C@@H]1C(=O)NCCCN1CCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249030133 416334245 /nfs/dbraw/zinc/33/42/45/416334245.db2.gz LOISBZRSOMLXDQ-ZIAGYGMSSA-N 1 1 310.442 0.187 10 0 DCAEMO C[C@@H]1C(=O)NCCCN1CCCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000249030133 416334246 /nfs/dbraw/zinc/33/42/46/416334246.db2.gz LOISBZRSOMLXDQ-ZIAGYGMSSA-N 1 1 310.442 0.187 10 0 DCAEMO 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396337765 /nfs/dbraw/zinc/33/77/65/396337765.db2.gz SBTBISKBXVTMCK-HOTGVXAUSA-N 1 1 310.442 0.446 10 0 DCAEMO CN1CCCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC000187868689 396375399 /nfs/dbraw/zinc/37/53/99/396375399.db2.gz FNVNWEJMXWGCJX-UHFFFAOYSA-N 1 1 318.421 0.992 10 0 DCAEMO C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CC[N@@H+]1CCO ZINC000188808125 396387446 /nfs/dbraw/zinc/38/74/46/396387446.db2.gz OZDVJXVOZMYFPS-NSHDSACASA-N 1 1 314.332 0.869 10 0 DCAEMO C[C@H]1CN(C(=O)COc2ccc(F)cc2F)CC[N@H+]1CCO ZINC000188808125 396387449 /nfs/dbraw/zinc/38/74/49/396387449.db2.gz OZDVJXVOZMYFPS-NSHDSACASA-N 1 1 314.332 0.869 10 0 DCAEMO C[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1CCO ZINC000190244223 396403527 /nfs/dbraw/zinc/40/35/27/396403527.db2.gz SSDXOIONOADEBC-CQSZACIVSA-N 1 1 315.421 0.981 10 0 DCAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C)S(=O)(=O)CC2)C1 ZINC000192344663 396430830 /nfs/dbraw/zinc/43/08/30/396430830.db2.gz ZGGXYYUDASVMNU-QWHCGFSZSA-N 1 1 317.455 0.689 10 0 DCAEMO 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/nfs/dbraw/zinc/18/96/54/546189654.db2.gz BHFRTUSPOTXVPZ-LBPRGKRZSA-N 1 1 323.441 0.613 10 0 DCAEMO C[C@H](OCc1ccccc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405344914 546229754 /nfs/dbraw/zinc/22/97/54/546229754.db2.gz FQSKFPAWIXNUKZ-CWRNSKLLSA-N 1 1 304.390 0.869 10 0 DCAEMO O[C@]1(Cn2ccnn2)CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000671492745 547225268 /nfs/dbraw/zinc/22/52/68/547225268.db2.gz IYCUTDUOEADUTC-OAHLLOKOSA-N 1 1 314.349 0.898 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cncn1C)C2 ZINC000888095343 661166213 /nfs/dbraw/zinc/16/62/13/661166213.db2.gz WHRSVJQZOCCBIZ-XKVFNRALSA-N 1 1 306.410 0.630 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1cn[nH]n1)C2 ZINC000888095474 661166470 /nfs/dbraw/zinc/16/64/70/661166470.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 1 321.425 0.333 10 0 DCAEMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1c[nH]nn1)C2 ZINC000888095474 661166471 /nfs/dbraw/zinc/16/64/71/661166471.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 1 321.425 0.333 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1c[nH]nn1)C2 ZINC000888095474 661166472 /nfs/dbraw/zinc/16/64/72/661166472.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 1 321.425 0.333 10 0 DCAEMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC000888095474 661166473 /nfs/dbraw/zinc/16/64/73/661166473.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 1 321.425 0.333 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC000888095474 661166474 /nfs/dbraw/zinc/16/64/74/661166474.db2.gz YZUGHQGQILHHEH-XOUADPBQSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CN(C)CN1C(=O)N[C@](C)(COC)C1=O ZINC000177159620 658706749 /nfs/dbraw/zinc/70/67/49/658706749.db2.gz WGOVETGJGVKPFM-IUODEOHRSA-N 1 1 312.414 0.317 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CN(C)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000177157643 658706879 /nfs/dbraw/zinc/70/68/79/658706879.db2.gz STRIIBLCOZHJQM-CYBMUJFWSA-N 1 1 324.425 0.807 10 0 DCAEMO Nc1nc(NCC[NH+]2CCSCC2)nc(C(F)(F)F)n1 ZINC000312856245 659611081 /nfs/dbraw/zinc/61/10/81/659611081.db2.gz PVRLRJFMDHQHQA-UHFFFAOYSA-N 1 1 308.333 0.933 10 0 DCAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CN3CC(=O)N(C)C3=O)C2)n1 ZINC000182282767 665769815 /nfs/dbraw/zinc/76/98/15/665769815.db2.gz SZTBLLNHQNBJPW-ZDUSSCGKSA-N 1 1 320.397 0.458 10 0 DCAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](CN3CC(=O)N(C)C3=O)C2)n1 ZINC000182282767 665769818 /nfs/dbraw/zinc/76/98/18/665769818.db2.gz SZTBLLNHQNBJPW-ZDUSSCGKSA-N 1 1 320.397 0.458 10 0 DCAEMO CC(C)N1CCO[C@H](CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090592 662054698 /nfs/dbraw/zinc/05/46/98/662054698.db2.gz UTJIZNJLMFRHBQ-QZTJIDSGSA-N 1 1 324.513 0.713 10 0 DCAEMO Cc1csc(NCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000909445944 662097220 /nfs/dbraw/zinc/09/72/20/662097220.db2.gz ROTVFWTXCRGCLI-VXGBXAGGSA-N 1 1 310.423 0.843 10 0 DCAEMO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915526 663114182 /nfs/dbraw/zinc/11/41/82/663114182.db2.gz POXCFEXHLUVBTE-CHWSQXEVSA-N 1 1 303.362 0.930 10 0 DCAEMO CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000900605143 663259880 /nfs/dbraw/zinc/25/98/80/663259880.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 1 1 323.437 0.568 10 0 DCAEMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H](O)[C@H]1n1cccn1 ZINC000909189323 663785933 /nfs/dbraw/zinc/78/59/33/663785933.db2.gz HSROKNNYFQBHGS-BZPMIXESSA-N 1 1 303.366 0.694 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233656 664637700 /nfs/dbraw/zinc/63/77/00/664637700.db2.gz HCJIJHMMQUPMFW-LBPRGKRZSA-N 1 1 319.471 0.983 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000174233656 664637702 /nfs/dbraw/zinc/63/77/02/664637702.db2.gz HCJIJHMMQUPMFW-LBPRGKRZSA-N 1 1 319.471 0.983 10 0 DCAEMO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CC1(CO)CC1 ZINC000186799616 666597463 /nfs/dbraw/zinc/59/74/63/666597463.db2.gz UVFGNONIMRKVAX-SECBINFHSA-N 1 1 311.407 0.878 10 0 DCAEMO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CC1(CO)CC1 ZINC000186799616 666597465 /nfs/dbraw/zinc/59/74/65/666597465.db2.gz UVFGNONIMRKVAX-SECBINFHSA-N 1 1 311.407 0.878 10 0 DCAEMO CCn1ncc(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](OC)C2)n1 ZINC000863398054 667139213 /nfs/dbraw/zinc/13/92/13/667139213.db2.gz LPNRLOOVJHSKHR-BZPMIXESSA-N 1 1 307.398 0.670 10 0 DCAEMO OC[C@H]1C[N@H+](Cc2ncccc2Br)C[C@H]1CO ZINC000705368115 667314617 /nfs/dbraw/zinc/31/46/17/667314617.db2.gz JTPYHLMGXNHIOD-AOOOYVTPSA-N 1 1 301.184 0.877 10 0 DCAEMO OC[C@H]1C[N@@H+](Cc2ncccc2Br)C[C@H]1CO ZINC000705368115 667314619 /nfs/dbraw/zinc/31/46/19/667314619.db2.gz JTPYHLMGXNHIOD-AOOOYVTPSA-N 1 1 301.184 0.877 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCS(=O)(=O)CC)[C@H](C)C1 ZINC000120699617 667340210 /nfs/dbraw/zinc/34/02/10/667340210.db2.gz JOVFWFIXEKZLKB-OLZOCXBDSA-N 1 1 319.471 0.793 10 0 DCAEMO Cc1nonc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000886034978 667725895 /nfs/dbraw/zinc/72/58/95/667725895.db2.gz LNJCKBYWDKQBHI-SMDDNHRTSA-N 1 1 318.381 0.924 10 0 DCAEMO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NCc2nnnn2C2CC2)C1 ZINC000886082606 667730374 /nfs/dbraw/zinc/73/03/74/667730374.db2.gz WOQLKJRGJTXNFN-MCIONIFRSA-N 1 1 306.414 0.739 10 0 DCAEMO C[N@@H+]1CCO[C@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097242 667732082 /nfs/dbraw/zinc/73/20/82/667732082.db2.gz VKEJWLXULVSLEL-LBPRGKRZSA-N 1 1 322.365 0.005 10 0 DCAEMO C[N@H+]1CCO[C@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097242 667732085 /nfs/dbraw/zinc/73/20/85/667732085.db2.gz VKEJWLXULVSLEL-LBPRGKRZSA-N 1 1 322.365 0.005 10 0 DCAEMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115090 669136446 /nfs/dbraw/zinc/13/64/46/669136446.db2.gz NYLPHICKPHIZSF-JSGCOSHPSA-N 1 1 319.409 0.650 10 0 DCAEMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](n3cc(C4CC4)nn3)C2)CCO1 ZINC000931115090 669136450 /nfs/dbraw/zinc/13/64/50/669136450.db2.gz NYLPHICKPHIZSF-JSGCOSHPSA-N 1 1 319.409 0.650 10 0 DCAEMO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187259645 669711569 /nfs/dbraw/zinc/71/15/69/669711569.db2.gz PQPMWOBOCWECEX-JTQLQIEISA-N 1 1 308.338 0.316 10 0 DCAEMO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187259645 669711574 /nfs/dbraw/zinc/71/15/74/669711574.db2.gz PQPMWOBOCWECEX-JTQLQIEISA-N 1 1 308.338 0.316 10 0 DCAEMO Cn1cc(CN[C@H]2CCC[N@H+](CCO)C2)c(Br)n1 ZINC000712492516 670149665 /nfs/dbraw/zinc/14/96/65/670149665.db2.gz YEBVCGULCVYGEN-NSHDSACASA-N 1 1 317.231 0.729 10 0 DCAEMO Cn1cc(CN[C@H]2CCC[N@@H+](CCO)C2)c(Br)n1 ZINC000712492516 670149666 /nfs/dbraw/zinc/14/96/66/670149666.db2.gz YEBVCGULCVYGEN-NSHDSACASA-N 1 1 317.231 0.729 10 0 DCAEMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C3OCCO3)C2)C1 ZINC000718972522 685306360 /nfs/dbraw/zinc/30/63/60/685306360.db2.gz DQVIUKWVLULHTJ-STQMWFEESA-N 1 1 318.439 0.353 10 0 DCAEMO COc1cccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)n1 ZINC000721229736 685318143 /nfs/dbraw/zinc/31/81/43/685318143.db2.gz OVVFOYLUVNDHDD-CYBMUJFWSA-N 1 1 300.380 0.384 10 0 DCAEMO CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245660608 685158040 /nfs/dbraw/zinc/15/80/40/685158040.db2.gz PPULRKPXXZUBMR-CHWSQXEVSA-N 1 1 319.471 0.791 10 0 DCAEMO COCc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(=O)o1 ZINC000246437283 685163916 /nfs/dbraw/zinc/16/39/16/685163916.db2.gz KTCFLZMUQIQAAF-OLZOCXBDSA-N 1 1 310.398 0.887 10 0 DCAEMO CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246787331 685166845 /nfs/dbraw/zinc/16/68/45/685166845.db2.gz CPZQHVBCGVLDQO-VXGBXAGGSA-N 1 1 305.444 0.449 10 0 DCAEMO C[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC000247058016 685169687 /nfs/dbraw/zinc/16/96/87/685169687.db2.gz HDQUANJALIJSFX-ZIAGYGMSSA-N 1 1 309.410 0.383 10 0 DCAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 ZINC000249386509 1183474247 /nfs/dbraw/zinc/47/42/47/1183474247.db2.gz RDLLQSQIHOEACL-RQJABVFESA-N 1 1 310.394 0.792 10 0 DCAEMO OC[C@H](O)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000404219746 774127239 /nfs/dbraw/zinc/12/72/39/774127239.db2.gz WPGIQBKMYPQYCI-BRWVUGGUSA-N 1 1 306.406 0.315 10 0 DCAEMO O=S(=O)(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152100 774151761 /nfs/dbraw/zinc/15/17/61/774151761.db2.gz HQAHXTGQXIBGGT-AWEZNQCLSA-N 1 1 309.435 0.542 10 0 DCAEMO O=S(=O)(NC[C@@H]1CCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152100 774151762 /nfs/dbraw/zinc/15/17/62/774151762.db2.gz HQAHXTGQXIBGGT-AWEZNQCLSA-N 1 1 309.435 0.542 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1 ZINC000246722796 529408640 /nfs/dbraw/zinc/40/86/40/529408640.db2.gz MAUUDJLJCUVNBM-CABCVRRESA-N 1 1 310.442 0.587 10 0 DCAEMO CNC(=O)[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C(C)C ZINC000178451565 529896993 /nfs/dbraw/zinc/89/69/93/529896993.db2.gz NMTOISGCNRLTAK-LBPRGKRZSA-N 1 1 302.419 0.025 10 0 DCAEMO COCC[NH+]1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000046287001 190675005 /nfs/dbraw/zinc/67/50/05/190675005.db2.gz OYOWKRVEOSFTNQ-UHFFFAOYSA-N 1 1 321.425 0.621 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(CO)c2)CC1 ZINC000181715207 199342765 /nfs/dbraw/zinc/34/27/65/199342765.db2.gz IQVUKICFDMZIQW-MRXNPFEDSA-N 1 1 321.421 0.777 10 0 DCAEMO C[C@H]1CN(C(=O)NCCCn2cccn2)C[C@H]1[NH+]1CCOCC1 ZINC000175656960 186185741 /nfs/dbraw/zinc/18/57/41/186185741.db2.gz SOEQIKMKEQIKOU-LSDHHAIUSA-N 1 1 321.425 0.635 10 0 DCAEMO COc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000172291409 198071289 /nfs/dbraw/zinc/07/12/89/198071289.db2.gz IJJCQVCBXYDBDO-CYBMUJFWSA-N 1 1 303.362 0.940 10 0 DCAEMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172298230 198073666 /nfs/dbraw/zinc/07/36/66/198073666.db2.gz QPLCDCVVJDVSQB-MRXNPFEDSA-N 1 1 322.405 0.785 10 0 DCAEMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172298230 198073668 /nfs/dbraw/zinc/07/36/68/198073668.db2.gz QPLCDCVVJDVSQB-MRXNPFEDSA-N 1 1 322.405 0.785 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174289365 198315572 /nfs/dbraw/zinc/31/55/72/198315572.db2.gz PGEQXCUYNJMSLX-UONOGXRCSA-N 1 1 322.405 0.988 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000174289365 198315574 /nfs/dbraw/zinc/31/55/74/198315574.db2.gz PGEQXCUYNJMSLX-UONOGXRCSA-N 1 1 322.405 0.988 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174289352 198315885 /nfs/dbraw/zinc/31/58/85/198315885.db2.gz PGEQXCUYNJMSLX-ZIAGYGMSSA-N 1 1 322.405 0.988 10 0 DCAEMO COc1cccc(OCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000174289352 198315886 /nfs/dbraw/zinc/31/58/86/198315886.db2.gz PGEQXCUYNJMSLX-ZIAGYGMSSA-N 1 1 322.405 0.988 10 0 DCAEMO CN(c1cccnn1)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174650504 198366000 /nfs/dbraw/zinc/36/60/00/198366000.db2.gz UGLOBSPKUSMGCF-CQSZACIVSA-N 1 1 319.409 0.234 10 0 DCAEMO CN(c1cccnn1)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174650504 198366001 /nfs/dbraw/zinc/36/60/01/198366001.db2.gz UGLOBSPKUSMGCF-CQSZACIVSA-N 1 1 319.409 0.234 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000174671887 198368799 /nfs/dbraw/zinc/36/87/99/198368799.db2.gz DAVMMKCQHSZTAD-HNNXBMFYSA-N 1 1 305.378 0.784 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000174771595 198382484 /nfs/dbraw/zinc/38/24/84/198382484.db2.gz JMLUGRXCDALKCZ-CABCVRRESA-N 1 1 322.409 0.058 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000174771595 198382486 /nfs/dbraw/zinc/38/24/86/198382486.db2.gz JMLUGRXCDALKCZ-CABCVRRESA-N 1 1 322.409 0.058 10 0 DCAEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000174832752 198391623 /nfs/dbraw/zinc/39/16/23/198391623.db2.gz BIVUZGUHQABNCB-NSHDSACASA-N 1 1 307.398 0.717 10 0 DCAEMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000081433089 192264495 /nfs/dbraw/zinc/26/44/95/192264495.db2.gz BHVHIMTZFHLVAF-NSHDSACASA-N 1 1 310.398 0.115 10 0 DCAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCS(N)(=O)=O)C2)n1 ZINC000171604489 237134903 /nfs/dbraw/zinc/13/49/03/237134903.db2.gz CZYLFKLLKHNTQV-CYBMUJFWSA-N 1 1 315.443 0.286 10 0 DCAEMO CC(=O)Nc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000187267520 200085943 /nfs/dbraw/zinc/08/59/43/200085943.db2.gz OKFABDMASJHBHT-GFCCVEGCSA-N 1 1 305.378 0.784 10 0 DCAEMO CC(=O)Nc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000187267520 200085945 /nfs/dbraw/zinc/08/59/45/200085945.db2.gz OKFABDMASJHBHT-GFCCVEGCSA-N 1 1 305.378 0.784 10 0 DCAEMO C[C@H]1C[C@@H](NC(=O)NCc2cc(C(N)=O)co2)C[N@H+]1C1CC1 ZINC000187489516 237351849 /nfs/dbraw/zinc/35/18/49/237351849.db2.gz HPAITEYHWKLMHZ-GXSJLCMTSA-N 1 1 306.366 0.803 10 0 DCAEMO C[C@H]1CN(C(=O)COCCOc2ccccc2)CC[N@@H+]1CCO ZINC000188704997 237377732 /nfs/dbraw/zinc/37/77/32/237377732.db2.gz IKVSIEVAEZIVBQ-HNNXBMFYSA-N 1 1 322.405 0.607 10 0 DCAEMO C[C@H]1CN(C(=O)COCCOc2ccccc2)CC[N@H+]1CCO ZINC000188704997 237377741 /nfs/dbraw/zinc/37/77/41/237377741.db2.gz IKVSIEVAEZIVBQ-HNNXBMFYSA-N 1 1 322.405 0.607 10 0 DCAEMO C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COC1CCOCC1 ZINC000154202845 291211726 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/nfs/dbraw/zinc/14/06/65/416140665.db2.gz BCKFQHJBZHXTQV-NSHDSACASA-N 1 1 312.443 0.635 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000177192747 416142899 /nfs/dbraw/zinc/14/28/99/416142899.db2.gz QYZYFXDDZAGRDY-KGLIPLIRSA-N 1 1 319.409 0.973 10 0 DCAEMO Cn1cnc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000178727092 416170506 /nfs/dbraw/zinc/17/05/06/416170506.db2.gz MSHOEOSXQBYBEY-AWEZNQCLSA-N 1 1 305.426 0.662 10 0 DCAEMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)c2ccc3c(c2)CCC3)C1 ZINC000358060330 416183093 /nfs/dbraw/zinc/18/30/93/416183093.db2.gz FJZSJPXDWBJMEF-KRWDZBQOSA-N 1 1 302.374 0.541 10 0 DCAEMO CNC(=O)[C@@H]1CCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000179286454 416184985 /nfs/dbraw/zinc/18/49/85/416184985.db2.gz GGSYQIXEOUBFKU-GSPSYOTPSA-N 1 1 308.426 0.922 10 0 DCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc(C3CC3)n[nH]2)cn1 ZINC000181417362 416208486 /nfs/dbraw/zinc/20/84/86/416208486.db2.gz GYFBEFYRIAKFIM-AWEZNQCLSA-N 1 1 300.366 0.807 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CC1 ZINC000182013876 416213232 /nfs/dbraw/zinc/21/32/32/416213232.db2.gz FFOJXQJCRSOYHZ-WFASDCNBSA-N 1 1 323.441 0.747 10 0 DCAEMO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)N1CCOCC1 ZINC000182330596 416220216 /nfs/dbraw/zinc/22/02/16/416220216.db2.gz BRGSSOHJAMFKBA-PMPSAXMXSA-N 1 1 324.469 0.833 10 0 DCAEMO CC(=O)N(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000331131636 416270610 /nfs/dbraw/zinc/27/06/10/416270610.db2.gz GVGHJHFYTHKCPA-MRXNPFEDSA-N 1 1 318.421 0.645 10 0 DCAEMO CCOc1cccc(CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358706534 416271151 /nfs/dbraw/zinc/27/11/51/416271151.db2.gz NDPCNNMQENUWHF-QGZVFWFLSA-N 1 1 321.421 0.994 10 0 DCAEMO CN(C)c1noc(CN2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000192765208 416311689 /nfs/dbraw/zinc/31/16/89/416311689.db2.gz IHTFDQFTEBKPEL-AWEZNQCLSA-N 1 1 322.457 0.738 10 0 DCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000247440474 416332689 /nfs/dbraw/zinc/33/26/89/416332689.db2.gz RYOPFROOIRTSQV-QLFBSQMISA-N 1 1 312.458 0.735 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248345266 416333285 /nfs/dbraw/zinc/33/32/85/416333285.db2.gz MOXPJTJGWMRDDY-AGIUHOORSA-N 1 1 317.393 0.458 10 0 DCAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000248658534 416333882 /nfs/dbraw/zinc/33/38/82/416333882.db2.gz UGQDVHDWZZWISA-JKSUJKDBSA-N 1 1 300.443 0.961 10 0 DCAEMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249467544 416334342 /nfs/dbraw/zinc/33/43/42/416334342.db2.gz SRRQRHKMBFSBLF-KGLIPLIRSA-N 1 1 306.472 0.997 10 0 DCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000237923221 416329097 /nfs/dbraw/zinc/32/90/97/416329097.db2.gz RCFXPGIHXFAQDB-UONOGXRCSA-N 1 1 312.316 0.853 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000436288755 416553239 /nfs/dbraw/zinc/55/32/39/416553239.db2.gz FXBOXXNYYHAHHA-CZUORRHYSA-N 1 1 307.394 0.200 10 0 DCAEMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)[nH]1 ZINC000540866382 416594891 /nfs/dbraw/zinc/59/48/91/416594891.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 1 324.425 0.849 10 0 DCAEMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)n1 ZINC000540866382 416594896 /nfs/dbraw/zinc/59/48/96/416594896.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 1 324.425 0.849 10 0 DCAEMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)n1 ZINC000540866382 416594900 /nfs/dbraw/zinc/59/49/00/416594900.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 1 324.425 0.849 10 0 DCAEMO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)n[nH]1 ZINC000540866382 416594903 /nfs/dbraw/zinc/59/49/03/416594903.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 1 324.425 0.849 10 0 DCAEMO Cc1nc([C@@H]2CCC[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C2)n[nH]1 ZINC000540866382 416594909 /nfs/dbraw/zinc/59/49/09/416594909.db2.gz OABPIPJRPCFNNX-ILXRZTDVSA-N 1 1 324.425 0.849 10 0 DCAEMO CN1CCN(C[C@H](O)COC[C@H]2CCCO2)c2ccc[nH+]c21 ZINC000540865147 416595200 /nfs/dbraw/zinc/59/52/00/416595200.db2.gz CGZKZZFDEOSHOX-UONOGXRCSA-N 1 1 307.394 0.894 10 0 DCAEMO CS(=O)(=O)NCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000365072785 416599073 /nfs/dbraw/zinc/59/90/73/416599073.db2.gz RTYFLUZWOLDPLT-OAHLLOKOSA-N 1 1 312.435 0.605 10 0 DCAEMO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CCCO ZINC000440935457 416653658 /nfs/dbraw/zinc/65/36/58/416653658.db2.gz AIBCURWRTKUTDS-KBPBESRZSA-N 1 1 322.405 0.988 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc(C(N)=O)nc2)CC1 ZINC000545169769 416664201 /nfs/dbraw/zinc/66/42/01/416664201.db2.gz JHGBFLYUENJZCJ-UHFFFAOYSA-N 1 1 303.366 0.954 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@H+]1C ZINC000442292210 416690518 /nfs/dbraw/zinc/69/05/18/416690518.db2.gz FBJJUZNJYCFMCQ-NEPJUHHUSA-N 1 1 319.409 0.637 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(N(C)C)nc2)CC[N@@H+]1C ZINC000442292210 416690523 /nfs/dbraw/zinc/69/05/23/416690523.db2.gz FBJJUZNJYCFMCQ-NEPJUHHUSA-N 1 1 319.409 0.637 10 0 DCAEMO c1nc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cs1 ZINC000623652768 416863078 /nfs/dbraw/zinc/86/30/78/416863078.db2.gz PDVQLMHWEGPDDC-JTQLQIEISA-N 1 1 301.379 0.949 10 0 DCAEMO Cc1cc(C)n(-c2ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)nn2)n1 ZINC000374914710 416990543 /nfs/dbraw/zinc/99/05/43/416990543.db2.gz SOILWKHCYMSREN-AWEZNQCLSA-N 1 1 314.393 0.800 10 0 DCAEMO Cc1cc(C)n(-c2ccc(N3CC[N@H+]4CCOC[C@@H]4C3)nn2)n1 ZINC000374914710 416990547 /nfs/dbraw/zinc/99/05/47/416990547.db2.gz SOILWKHCYMSREN-AWEZNQCLSA-N 1 1 314.393 0.800 10 0 DCAEMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000448255361 417066668 /nfs/dbraw/zinc/06/66/68/417066668.db2.gz IWLPQFNBBSQKGE-VXGBXAGGSA-N 1 1 311.430 0.559 10 0 DCAEMO O=C(Nc1cc(C(F)(F)F)n[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408034015 417132118 /nfs/dbraw/zinc/13/21/18/417132118.db2.gz CJYATTZYHIPALP-QMMMGPOBSA-N 1 1 303.288 0.757 10 0 DCAEMO CNC(=O)NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408047099 417137236 /nfs/dbraw/zinc/13/72/36/417137236.db2.gz ZADZALWRKHVXTA-XQQFMLRXSA-N 1 1 313.398 0.084 10 0 DCAEMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCN3CCCC3=O)[C@H]2C1 ZINC000408141696 417143443 /nfs/dbraw/zinc/14/34/43/417143443.db2.gz NKRYXHIGSLCUPJ-KBPBESRZSA-N 1 1 308.426 0.735 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000408424575 417161391 /nfs/dbraw/zinc/16/13/91/417161391.db2.gz WJHHRIJAWBNASS-CHWSQXEVSA-N 1 1 319.409 0.752 10 0 DCAEMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC12COC2 ZINC000449357482 417143617 /nfs/dbraw/zinc/14/36/17/417143617.db2.gz DMBQUHTVBAIZIT-CQSZACIVSA-N 1 1 318.373 0.797 10 0 DCAEMO C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000449916848 417185272 /nfs/dbraw/zinc/18/52/72/417185272.db2.gz CBJROARGQJZNAU-OCCSQVGLSA-N 1 1 319.409 0.616 10 0 DCAEMO Cc1nn(C)cc1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000450981730 417292229 /nfs/dbraw/zinc/29/22/29/417292229.db2.gz AQMOIJKLFYMCSX-LBPRGKRZSA-N 1 1 308.426 0.575 10 0 DCAEMO CCOC(=O)[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC12COC2 ZINC000451131909 417301974 /nfs/dbraw/zinc/30/19/74/417301974.db2.gz HUBAMTMITUUSKS-CYBMUJFWSA-N 1 1 316.361 0.741 10 0 DCAEMO CCOC(=O)[C@H]1C[N@@H+](Cc2cn3cccnc3n2)CC12COC2 ZINC000451131909 417301979 /nfs/dbraw/zinc/30/19/79/417301979.db2.gz HUBAMTMITUUSKS-CYBMUJFWSA-N 1 1 316.361 0.741 10 0 DCAEMO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)CC12COC2 ZINC000451145255 417304562 /nfs/dbraw/zinc/30/45/62/417304562.db2.gz YLNSGFWBEOQIPP-OCCSQVGLSA-N 1 1 324.421 0.945 10 0 DCAEMO CCCCNC(=O)CC[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451140840 417305254 /nfs/dbraw/zinc/30/52/54/417305254.db2.gz UVBWLDOMDCAIID-ZDUSSCGKSA-N 1 1 312.410 0.804 10 0 DCAEMO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N(CC)CC)CC12COC2 ZINC000451145279 417306883 /nfs/dbraw/zinc/30/68/83/417306883.db2.gz YPUVHPVLQCXWSA-QWHCGFSZSA-N 1 1 312.410 0.755 10 0 DCAEMO C[C@@H](O)CC[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000451280076 417327665 /nfs/dbraw/zinc/32/76/65/417327665.db2.gz UBVGNOADBVLGAL-GFCCVEGCSA-N 1 1 315.439 0.473 10 0 DCAEMO COCCc1nc(CN[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)no1 ZINC000643959893 417425347 /nfs/dbraw/zinc/42/53/47/417425347.db2.gz JGURRBIZIRKHSB-UPJWGTAASA-N 1 1 310.398 0.336 10 0 DCAEMO C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451672207 417378297 /nfs/dbraw/zinc/37/82/97/417378297.db2.gz SECWRLPRLJBZJB-OLZOCXBDSA-N 1 1 305.444 0.152 10 0 DCAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1COCCN1 ZINC000638833720 417566852 /nfs/dbraw/zinc/56/68/52/417566852.db2.gz BMYVCUDAFOQFAH-DJIMGWMZSA-N 1 1 317.433 0.859 10 0 DCAEMO c1[nH]nc(-c2cccnc2)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000628386712 417617487 /nfs/dbraw/zinc/61/74/87/417617487.db2.gz FLKRDEJHVGVLFW-UHFFFAOYSA-N 1 1 322.376 0.979 10 0 DCAEMO CN(Cc1nnnn1C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000532331565 417674810 /nfs/dbraw/zinc/67/48/10/417674810.db2.gz DPAXTYSZJAUHRJ-GFCCVEGCSA-N 1 1 306.414 0.823 10 0 DCAEMO CC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[C@@H](C)C1 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395907298 /nfs/dbraw/zinc/90/72/98/395907298.db2.gz ACGDZAXCTAXQLQ-AWEZNQCLSA-N 1 1 311.426 0.329 10 0 DCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](C)C1 ZINC000126087248 395909576 /nfs/dbraw/zinc/90/95/76/395909576.db2.gz YCJWYMXCRYIDPK-JSGCOSHPSA-N 1 1 304.394 0.656 10 0 DCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCN2C(=O)CCC2=O)C1 ZINC000119936005 395878798 /nfs/dbraw/zinc/87/87/98/395878798.db2.gz FCHHUSPWJZXKSA-OLZOCXBDSA-N 1 1 324.425 0.553 10 0 DCAEMO Cn1cc([C@]2(C)CN(C(=O)NC[C@@H]3CCC[N@H+]3C)CCO2)cn1 ZINC000119924615 395879158 /nfs/dbraw/zinc/87/91/58/395879158.db2.gz JPDKQPLBLCHSKK-HOCLYGCPSA-N 1 1 321.425 0.771 10 0 DCAEMO CN(C)c1[nH+]cc(CNC(=O)N2CCO[C@]3(CCOC3)C2)n1C ZINC000274365831 395942421 /nfs/dbraw/zinc/94/24/21/395942421.db2.gz FEPXWHGHHSGFDM-OAHLLOKOSA-N 1 1 323.397 0.187 10 0 DCAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCN1C(=O)CCC1=O ZINC000246253866 395945237 /nfs/dbraw/zinc/94/52/37/395945237.db2.gz JIGYNIBJZNWKDE-XQQFMLRXSA-N 1 1 308.378 0.942 10 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397287822 /nfs/dbraw/zinc/28/78/22/397287822.db2.gz PUAZOGQOQPIGIL-NEPJUHHUSA-N 1 1 314.407 0.416 10 0 DCAEMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000574306019 397256018 /nfs/dbraw/zinc/25/60/18/397256018.db2.gz PDDJVTKMYKZRPX-IAQYHMDHSA-N 1 1 308.382 0.061 10 0 DCAEMO CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000574332960 397257151 /nfs/dbraw/zinc/25/71/51/397257151.db2.gz GESHNJFHERULOC-MCIONIFRSA-N 1 1 300.447 0.593 10 0 DCAEMO CC[NH+](CC)CCS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000408212926 397350646 /nfs/dbraw/zinc/35/06/46/397350646.db2.gz ARAMDKZIKZYGEI-KZULUSFZSA-N 1 1 310.485 0.358 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000408294490 397352025 /nfs/dbraw/zinc/35/20/25/397352025.db2.gz NALXBWQMNRSCKA-UHFFFAOYSA-N 1 1 308.469 0.524 10 0 DCAEMO C[C@H](CNC(=O)N(C)C[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000074657002 158059135 /nfs/dbraw/zinc/05/91/35/158059135.db2.gz OPQMTNVMHGMYOB-CABCVRRESA-N 1 1 312.458 0.690 10 0 DCAEMO 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ZINC000186574635 666522933 /nfs/dbraw/zinc/52/29/33/666522933.db2.gz UFABBUPJAYPXCZ-CQSZACIVSA-N 1 1 309.414 0.373 10 0 DCAEMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000702657246 666984193 /nfs/dbraw/zinc/98/41/93/666984193.db2.gz RSRRQVGOVXODPQ-QGZVFWFLSA-N 1 1 319.405 0.665 10 0 DCAEMO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CO1 ZINC000703309931 667080585 /nfs/dbraw/zinc/08/05/85/667080585.db2.gz JRDZXWMJOGBZSR-GHMZBOCLSA-N 1 1 320.411 0.704 10 0 DCAEMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCCC3(C2)OCCO3)C1 ZINC000709230000 667445097 /nfs/dbraw/zinc/44/50/97/667445097.db2.gz LVWVLFWJNRYMFJ-GFCCVEGCSA-N 1 1 304.412 0.107 10 0 DCAEMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000134214019 667523052 /nfs/dbraw/zinc/52/30/52/667523052.db2.gz YMQGXTCMEBOCMX-LBPRGKRZSA-N 1 1 304.456 0.904 10 0 DCAEMO Cc1noc(C[C@@]2(O)CCC[N@H+](CCc3cnn(C)c3)C2)n1 ZINC000886091700 667730810 /nfs/dbraw/zinc/73/08/10/667730810.db2.gz MIJRNMGMKNXYMD-HNNXBMFYSA-N 1 1 305.382 0.724 10 0 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/nfs/dbraw/zinc/04/02/35/671040235.db2.gz UWYBFWLKPBHKTF-SWLSCSKDSA-N 1 1 322.413 0.140 10 0 DCAEMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[C@](O)(c3c[nH]nn3)C2)C1 ZINC000858766841 671040238 /nfs/dbraw/zinc/04/02/38/671040238.db2.gz UWYBFWLKPBHKTF-SWLSCSKDSA-N 1 1 322.413 0.140 10 0 DCAEMO O=c1n2ccccc2nn1CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719032197 685307865 /nfs/dbraw/zinc/30/78/65/685307865.db2.gz SUALUFXYDLNEGA-ZDUSSCGKSA-N 1 1 318.377 0.581 10 0 DCAEMO O=C(CNCC(F)(F)F)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720474976 685313360 /nfs/dbraw/zinc/31/33/60/685313360.db2.gz PSRLHLBNTBVTIG-NXEZZACHSA-N 1 1 311.373 0.834 10 0 DCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCS(C)(=O)=O)C1 ZINC000246362590 685163928 /nfs/dbraw/zinc/16/39/28/685163928.db2.gz INGXEMLZCNXMIE-VXGBXAGGSA-N 1 1 305.444 0.401 10 0 DCAEMO CCOCC[N@H+]1CCN(C(=O)C[C@@H]2COC(=O)C2)C[C@@H]1CC ZINC000246987282 685168800 /nfs/dbraw/zinc/16/88/00/685168800.db2.gz KMNFUSHEFOVMAB-KBPBESRZSA-N 1 1 312.410 0.899 10 0 DCAEMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174751 685170305 /nfs/dbraw/zinc/17/03/05/685170305.db2.gz RKYLTFITBHIGKE-CHWSQXEVSA-N 1 1 318.826 0.997 10 0 DCAEMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247174751 685170307 /nfs/dbraw/zinc/17/03/07/685170307.db2.gz RKYLTFITBHIGKE-CHWSQXEVSA-N 1 1 318.826 0.997 10 0 DCAEMO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2O)CCN1c1nccn2cnnc12 ZINC000270557761 685191601 /nfs/dbraw/zinc/19/16/01/685191601.db2.gz WIMKVYPXWPVPPF-MCIONIFRSA-N 1 1 316.409 0.938 10 0 DCAEMO CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000119060832 1176686124 /nfs/dbraw/zinc/68/61/24/1176686124.db2.gz GVFWPNGFULNAJG-CABCVRRESA-N 1 1 314.426 0.391 10 0 DCAEMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2cc(C)nn2C)C1 ZINC000156564009 1180557622 /nfs/dbraw/zinc/55/76/22/1180557622.db2.gz IQUDJFCYLGJTRE-ZDUSSCGKSA-N 1 1 307.398 0.467 10 0 DCAEMO O=C(Cn1nnc2ccccc21)NCC[N@H+]1CCCOCC1 ZINC000189388070 1187894585 /nfs/dbraw/zinc/89/45/85/1187894585.db2.gz MLCIBOSFRBJCFG-UHFFFAOYSA-N 1 1 303.366 0.270 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C)C1 ZINC000194015555 1188114218 /nfs/dbraw/zinc/11/42/18/1188114218.db2.gz CCOFPPGOSJLGMC-QWHCGFSZSA-N 1 1 317.393 0.345 10 0 DCAEMO C[NH+]1CCN(C(=O)CN2CCC=C(Br)C2)CC1 ZINC000404202256 774126288 /nfs/dbraw/zinc/12/62/88/774126288.db2.gz KWFKJPAXQLMFIW-UHFFFAOYSA-N 1 1 302.216 0.745 10 0 DCAEMO Cn1c(CN2CCC([N@@H+](C)CCCO)CC2)nnc1C1CC1 ZINC000172305081 529893806 /nfs/dbraw/zinc/89/38/06/529893806.db2.gz QEEZHDUKRSBMLJ-UHFFFAOYSA-N 1 1 307.442 0.971 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCCn2cc(C)cn2)CC1 ZINC000181784089 199351966 /nfs/dbraw/zinc/35/19/66/199351966.db2.gz WOTQXVMIPQKHNS-CQSZACIVSA-N 1 1 309.414 0.290 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cn(C)nc2C)CC1 ZINC000181799304 199353270 /nfs/dbraw/zinc/35/32/70/199353270.db2.gz DYHCUNIJPLMPGH-OCCSQVGLSA-N 1 1 323.441 0.888 10 0 DCAEMO Cc1cc(=O)n(C)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182012381 199374216 /nfs/dbraw/zinc/37/42/16/199374216.db2.gz POFTUXBDDYZASK-CHWSQXEVSA-N 1 1 322.409 0.613 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ncn(C)c1Cl ZINC000083551093 192372726 /nfs/dbraw/zinc/37/27/26/192372726.db2.gz OBYMJKLALPZKQY-NXEZZACHSA-N 1 1 318.830 0.931 10 0 DCAEMO O=C(Nc1cccnc1-n1cncn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171892299 198002924 /nfs/dbraw/zinc/00/29/24/198002924.db2.gz CNVJRNIOADUXFZ-LBPRGKRZSA-N 1 1 313.365 0.974 10 0 DCAEMO O=C(Nc1cccnc1-n1cncn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171892298 198002991 /nfs/dbraw/zinc/00/29/91/198002991.db2.gz CNVJRNIOADUXFZ-GFCCVEGCSA-N 1 1 313.365 0.974 10 0 DCAEMO Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173841838 198259480 /nfs/dbraw/zinc/25/94/80/198259480.db2.gz HVVBXOZWVLAQFX-DOMZBBRYSA-N 1 1 306.410 0.679 10 0 DCAEMO C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173886885 198265456 /nfs/dbraw/zinc/26/54/56/198265456.db2.gz YHTNHFMJZRCIMM-OCCSQVGLSA-N 1 1 305.378 0.178 10 0 DCAEMO CCOCC[N@H+]1CCN(c2ccc(C(=O)NC)nn2)C[C@@H]1CC ZINC000173915766 198268202 /nfs/dbraw/zinc/26/82/02/198268202.db2.gz SIXZYPNZQBIIGL-ZDUSSCGKSA-N 1 1 321.425 0.773 10 0 DCAEMO CO[C@@H](C)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000173825474 198257773 /nfs/dbraw/zinc/25/77/73/198257773.db2.gz DDBOXCAOZKEVAQ-ZDUSSCGKSA-N 1 1 319.405 0.977 10 0 DCAEMO CN1CC[NH+](Cc2ccc(C(=O)NC(C)(C)C(N)=O)cc2)CC1 ZINC000073027417 191270231 /nfs/dbraw/zinc/27/02/31/191270231.db2.gz KPMOUDBPJKQMKS-UHFFFAOYSA-N 1 1 318.421 0.428 10 0 DCAEMO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000174771584 198382384 /nfs/dbraw/zinc/38/23/84/198382384.db2.gz JMLUGRXCDALKCZ-GJZGRUSLSA-N 1 1 322.409 0.058 10 0 DCAEMO Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000174771584 198382385 /nfs/dbraw/zinc/38/23/85/198382385.db2.gz JMLUGRXCDALKCZ-GJZGRUSLSA-N 1 1 322.409 0.058 10 0 DCAEMO NC(=O)C[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000408454461 283292138 /nfs/dbraw/zinc/29/21/38/283292138.db2.gz XSTIYEUFSABIQT-UONOGXRCSA-N 1 1 309.410 0.496 10 0 DCAEMO CCc1onc(C)c1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179357414 199020990 /nfs/dbraw/zinc/02/09/90/199020990.db2.gz BZWXTVURYIKNIK-NSHDSACASA-N 1 1 306.366 0.791 10 0 DCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC000456066104 283334598 /nfs/dbraw/zinc/33/45/98/283334598.db2.gz SEYHUSFFSRKDBA-VXGBXAGGSA-N 1 1 305.444 0.305 10 0 DCAEMO NC(=O)C1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000127701890 236964200 /nfs/dbraw/zinc/96/42/00/236964200.db2.gz LBYVARNTJVNJBZ-SNVBAGLBSA-N 1 1 307.316 0.737 10 0 DCAEMO Cc1nn(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c1Cl ZINC000188729789 200295967 /nfs/dbraw/zinc/29/59/67/200295967.db2.gz CCLYTVMSOXDBHI-SNVBAGLBSA-N 1 1 314.817 0.678 10 0 DCAEMO Cc1nn(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1Cl ZINC000188729789 200295968 /nfs/dbraw/zinc/29/59/68/200295968.db2.gz CCLYTVMSOXDBHI-SNVBAGLBSA-N 1 1 314.817 0.678 10 0 DCAEMO COC(=O)Cn1cc(CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)nn1 ZINC000154293791 291212826 /nfs/dbraw/zinc/21/28/26/291212826.db2.gz LJFQJXHZVQLCHO-TZMCWYRMSA-N 1 1 309.414 0.408 10 0 DCAEMO COC(=O)Cn1cc(CCN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000154293791 291212828 /nfs/dbraw/zinc/21/28/28/291212828.db2.gz LJFQJXHZVQLCHO-TZMCWYRMSA-N 1 1 309.414 0.408 10 0 DCAEMO C[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)[N@H+]1CCC[C@@H](C)C1 ZINC000457694407 241025981 /nfs/dbraw/zinc/02/59/81/241025981.db2.gz PXPMRTWFVWFUTE-MGPQQGTHSA-N 1 1 324.429 0.059 10 0 DCAEMO C[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000275307622 212263666 /nfs/dbraw/zinc/26/36/66/212263666.db2.gz HPHWTFBPWISPRM-KBPBESRZSA-N 1 1 321.425 0.465 10 0 DCAEMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000092098744 193158396 /nfs/dbraw/zinc/15/83/96/193158396.db2.gz AQUZWKNXHOYCSO-CQSZACIVSA-N 1 1 319.405 0.864 10 0 DCAEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000092098744 193158397 /nfs/dbraw/zinc/15/83/97/193158397.db2.gz AQUZWKNXHOYCSO-CQSZACIVSA-N 1 1 319.405 0.864 10 0 DCAEMO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000022944503 182343554 /nfs/dbraw/zinc/34/35/54/182343554.db2.gz AKCAJOOUJVKAEH-CABCVRRESA-N 1 1 305.422 0.862 10 0 DCAEMO O=C(NCc1nnc2n1CCCC2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105157815 194081105 /nfs/dbraw/zinc/08/11/05/194081105.db2.gz IKTKOBFQUNRWEH-CYBMUJFWSA-N 1 1 318.425 0.994 10 0 DCAEMO OC[C@H]1CCCN1c1cc(N2CC[NH+](C3CC3)CC2)ncn1 ZINC000105788710 194127299 /nfs/dbraw/zinc/12/72/99/194127299.db2.gz DBMKHHBBPIVBFA-CQSZACIVSA-N 1 1 303.410 0.722 10 0 DCAEMO C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803488 194132778 /nfs/dbraw/zinc/13/27/78/194132778.db2.gz XKHGVIDCILIPGT-AWEZNQCLSA-N 1 1 303.410 0.903 10 0 DCAEMO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804485 194133821 /nfs/dbraw/zinc/13/38/21/194133821.db2.gz OQQVWQREDWVFKN-JTQLQIEISA-N 1 1 306.370 0.197 10 0 DCAEMO CC[C@H]1CN(CC(=O)Nc2cc(C)no2)CC[N@H+]1CCOC ZINC000105836588 194143199 /nfs/dbraw/zinc/14/31/99/194143199.db2.gz KVJBQHPWSYJYRD-ZDUSSCGKSA-N 1 1 310.398 0.964 10 0 DCAEMO CC[C@@H]1CN(CCC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC000105836966 194143735 /nfs/dbraw/zinc/14/37/35/194143735.db2.gz MNVKTBLAFMYTEE-OAHLLOKOSA-N 1 1 313.442 0.278 10 0 DCAEMO CC[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCN1CCOC ZINC000105836966 194143737 /nfs/dbraw/zinc/14/37/37/194143737.db2.gz MNVKTBLAFMYTEE-OAHLLOKOSA-N 1 1 313.442 0.278 10 0 DCAEMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCN1CCOC ZINC000105836966 194143739 /nfs/dbraw/zinc/14/37/39/194143739.db2.gz MNVKTBLAFMYTEE-OAHLLOKOSA-N 1 1 313.442 0.278 10 0 DCAEMO CCOc1ccnc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1 ZINC000105903458 194165913 /nfs/dbraw/zinc/16/59/13/194165913.db2.gz FMPMZIBMODXQOO-CQSZACIVSA-N 1 1 324.425 0.783 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000175370140 285256937 /nfs/dbraw/zinc/25/69/37/285256937.db2.gz DUYOIAINDQYJFF-HZPDHXFCSA-N 1 1 324.469 0.977 10 0 DCAEMO O=C([C@@H]1C[C@H]2CC[N@H+](C3CCOCC3)C[C@H]2O1)N1CCOCC1 ZINC000247798993 257117574 /nfs/dbraw/zinc/11/75/74/257117574.db2.gz TWUXQYQAPAIYGP-VNQPRFMTSA-N 1 1 324.421 0.504 10 0 DCAEMO CCOc1cccc(CNC(=O)C[N@@H+]2C[C@H](OC)C[C@H]2CO)c1 ZINC000284730882 131107434 /nfs/dbraw/zinc/10/74/34/131107434.db2.gz WYWPROXQFIFJSV-GOEBONIOSA-N 1 1 322.405 0.783 10 0 DCAEMO CCOc1cccc(CNC(=O)C[N@H+]2C[C@H](OC)C[C@H]2CO)c1 ZINC000284730882 131107435 /nfs/dbraw/zinc/10/74/35/131107435.db2.gz WYWPROXQFIFJSV-GOEBONIOSA-N 1 1 322.405 0.783 10 0 DCAEMO CC(C)[C@@H]1NC(=O)[C@H]2C[N@H+](CCc3ccccc3)CCN2C1=O ZINC000014540366 395689607 /nfs/dbraw/zinc/68/96/07/395689607.db2.gz NZXXBQSVCMHTCC-CVEARBPZSA-N 1 1 315.417 0.896 10 0 DCAEMO CC(C)[C@@H]1NC(=O)[C@H]2C[N@@H+](CCc3ccccc3)CCN2C1=O ZINC000014540366 395689608 /nfs/dbraw/zinc/68/96/08/395689608.db2.gz NZXXBQSVCMHTCC-CVEARBPZSA-N 1 1 315.417 0.896 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)n2)CC1 ZINC000194120298 395788551 /nfs/dbraw/zinc/78/85/51/395788551.db2.gz TYTRUJWVUPHATQ-ZDUSSCGKSA-N 1 1 320.393 0.244 10 0 DCAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)n1 ZINC000101587051 395765676 /nfs/dbraw/zinc/76/56/76/395765676.db2.gz AOTWIUANHRPSJX-GFCCVEGCSA-N 1 1 305.382 0.709 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cn1 ZINC000194146219 395789266 /nfs/dbraw/zinc/78/92/66/395789266.db2.gz MSEVHNSDVFIFMA-CMPLNLGQSA-N 1 1 306.341 0.854 10 0 DCAEMO C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283420 395772932 /nfs/dbraw/zinc/77/29/32/395772932.db2.gz FOHKFAIIQUIRNO-CHWSQXEVSA-N 1 1 322.453 0.315 10 0 DCAEMO Cc1cccc(OCCNC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193655278 395775345 /nfs/dbraw/zinc/77/53/45/395775345.db2.gz YWMKLISPPGMJSS-IYBDPMFKSA-N 1 1 317.433 0.983 10 0 DCAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000110992221 395802579 /nfs/dbraw/zinc/80/25/79/395802579.db2.gz SFZHDXOEIHAWHX-NSHDSACASA-N 1 1 310.398 0.307 10 0 DCAEMO 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C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCC2(CC1)OCCO2 ZINC000113267063 158146768 /nfs/dbraw/zinc/14/67/68/158146768.db2.gz SKJKUNZLYQYBFD-LSDHHAIUSA-N 1 1 323.437 0.520 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC(=O)NC1CC1 ZINC000113595388 158148903 /nfs/dbraw/zinc/14/89/03/158148903.db2.gz ZKSVLSKXNRAVFU-GXTWGEPZSA-N 1 1 308.426 0.923 10 0 DCAEMO O=C(NCCN1C(=O)CCC1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000114029928 158150376 /nfs/dbraw/zinc/15/03/76/158150376.db2.gz ZGPOPYGPEZHKGU-LBPRGKRZSA-N 1 1 308.382 0.015 10 0 DCAEMO CC[NH+]1CCN(CCCCNC(=O)NCC[C@@H](C)O)CC1 ZINC000114822993 158158212 /nfs/dbraw/zinc/15/82/12/158158212.db2.gz LGJHZLLLUOKLBG-CQSZACIVSA-N 1 1 300.447 0.474 10 0 DCAEMO CCc1nc2n(n1)C[C@H](NC(=O)NCC[N@@H+](C)CCOC)CC2 ZINC000114954905 158160134 /nfs/dbraw/zinc/16/01/34/158160134.db2.gz CHIYJPIQRJKPIN-GFCCVEGCSA-N 1 1 324.429 0.033 10 0 DCAEMO COC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116248652 158164282 /nfs/dbraw/zinc/16/42/82/158164282.db2.gz 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/nfs/dbraw/zinc/38/87/68/158388768.db2.gz ZVQKKWALKXKCPQ-GFCCVEGCSA-N 1 1 308.382 0.845 10 0 DCAEMO Cn1cc(N2CC[C@H]([N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)C2=O)cn1 ZINC000172042422 158390273 /nfs/dbraw/zinc/39/02/73/158390273.db2.gz IWBLKOGTHUHFSC-PEZGSVAQSA-N 1 1 304.394 0.618 10 0 DCAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccs3)CC2)C1 ZINC000190411923 158560091 /nfs/dbraw/zinc/56/00/91/158560091.db2.gz CNPVZGSZGVVYMZ-GFCCVEGCSA-N 1 1 310.423 0.877 10 0 DCAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(Nc3nccs3)CC2)C1 ZINC000190411923 158560092 /nfs/dbraw/zinc/56/00/92/158560092.db2.gz CNPVZGSZGVVYMZ-GFCCVEGCSA-N 1 1 310.423 0.877 10 0 DCAEMO O=C1[C@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609217 159014774 /nfs/dbraw/zinc/01/47/74/159014774.db2.gz MOCFBNORXDXUKK-HUUCEWRRSA-N 1 1 319.409 0.695 10 0 DCAEMO O=C1[C@H]([N@H+]2CCC[C@@H](n3cncn3)C2)CCN1C1CCOCC1 ZINC000328609217 159014775 /nfs/dbraw/zinc/01/47/75/159014775.db2.gz MOCFBNORXDXUKK-HUUCEWRRSA-N 1 1 319.409 0.695 10 0 DCAEMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)N3CCCC3)[C@H]2C1 ZINC000328876800 159037364 /nfs/dbraw/zinc/03/73/64/159037364.db2.gz ZXSAPMAZIVVKEY-QWHCGFSZSA-N 1 1 303.428 0.122 10 0 DCAEMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000328884520 159037747 /nfs/dbraw/zinc/03/77/47/159037747.db2.gz MYUGGSIFGPACPQ-GFCCVEGCSA-N 1 1 310.398 0.118 10 0 DCAEMO Cc1cc(CS(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)no1 ZINC000328894214 159038967 /nfs/dbraw/zinc/03/89/67/159038967.db2.gz UUFHOICEDSSFFP-UHFFFAOYSA-N 1 1 313.383 0.402 10 0 DCAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2COCCN2C)CC1 ZINC000328939521 159045184 /nfs/dbraw/zinc/04/51/84/159045184.db2.gz DQXSYBWPBCQLOJ-CQSZACIVSA-N 1 1 306.410 0.532 10 0 DCAEMO CCn1cc([C@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CCO2)cn1 ZINC000328991867 159049888 /nfs/dbraw/zinc/04/98/88/159049888.db2.gz SOWMQYCPWVKLFP-SOUVJXGZSA-N 1 1 322.409 0.522 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)[N@H+](C)C1 ZINC000329001954 159050751 /nfs/dbraw/zinc/05/07/51/159050751.db2.gz 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0.830 10 0 DCAEMO NC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000536485925 416540891 /nfs/dbraw/zinc/54/08/91/416540891.db2.gz NLFCUSSQMXDHBQ-LBPRGKRZSA-N 1 1 322.434 0.766 10 0 DCAEMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)CO ZINC000443348416 416753595 /nfs/dbraw/zinc/75/35/95/416753595.db2.gz RCSGVJFFTLCUCH-WDEREUQCSA-N 1 1 310.350 0.417 10 0 DCAEMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)CO ZINC000443348416 416753602 /nfs/dbraw/zinc/75/36/02/416753602.db2.gz RCSGVJFFTLCUCH-WDEREUQCSA-N 1 1 310.350 0.417 10 0 DCAEMO C[C@H](NC(=O)C[N@H+]1CCC2(CCOCC2)[C@H]1C)C(=O)N(C)C ZINC000368832495 416698151 /nfs/dbraw/zinc/69/81/51/416698151.db2.gz FGHLWZFSBDHORM-QWHCGFSZSA-N 1 1 311.426 0.470 10 0 DCAEMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000623230406 416773876 /nfs/dbraw/zinc/77/38/76/416773876.db2.gz XPBOMIRJQOFVPR-CQSZACIVSA-N 1 1 319.409 0.975 10 0 DCAEMO C[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000623230406 416773881 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/nfs/dbraw/zinc/70/15/92/395701592.db2.gz VXBLDWFBYSHHDA-VXGBXAGGSA-N 1 1 302.382 0.778 10 0 DCAEMO C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000092412518 395730774 /nfs/dbraw/zinc/73/07/74/395730774.db2.gz SNSYFPMSJVMMAP-OLZOCXBDSA-N 1 1 319.409 0.616 10 0 DCAEMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000093333103 395737725 /nfs/dbraw/zinc/73/77/25/395737725.db2.gz JEKUTTZLVSMUMJ-IHRRRGAJSA-N 1 1 311.426 0.206 10 0 DCAEMO C[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](O)C1)C(=O)N1CCCCC1 ZINC000093333103 395737727 /nfs/dbraw/zinc/73/77/27/395737727.db2.gz JEKUTTZLVSMUMJ-IHRRRGAJSA-N 1 1 311.426 0.206 10 0 DCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000270485982 395776261 /nfs/dbraw/zinc/77/62/61/395776261.db2.gz IWMGQXZXWYWCGN-CYBMUJFWSA-N 1 1 306.410 0.826 10 0 DCAEMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000194868337 395810022 /nfs/dbraw/zinc/81/00/22/395810022.db2.gz BRPHITLYGLKFHX-CABCVRRESA-N 1 1 301.390 0.903 10 0 DCAEMO 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ZINC000126069015 395909089 /nfs/dbraw/zinc/90/90/89/395909089.db2.gz RRNAIKUKYHPRIL-GFCCVEGCSA-N 1 1 316.405 0.893 10 0 DCAEMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)N1CCOCC1 ZINC000134074683 395930361 /nfs/dbraw/zinc/93/03/61/395930361.db2.gz TZIRTRAVKFKEBM-CVEARBPZSA-N 1 1 319.405 0.664 10 0 DCAEMO Cc1nc(CN2CCC[N@@H+]([C@H]3CCN(C(C)C)C3=O)CC2)no1 ZINC000245480830 395930738 /nfs/dbraw/zinc/93/07/38/395930738.db2.gz XPYSREPJHORIDG-AWEZNQCLSA-N 1 1 321.425 0.895 10 0 DCAEMO Cc1nc(CN2CCC[N@H+]([C@H]3CCN(C(C)C)C3=O)CC2)no1 ZINC000245480830 395930741 /nfs/dbraw/zinc/93/07/41/395930741.db2.gz XPYSREPJHORIDG-AWEZNQCLSA-N 1 1 321.425 0.895 10 0 DCAEMO COC(=O)CNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245497148 395931016 /nfs/dbraw/zinc/93/10/16/395931016.db2.gz SVSCPOCMHCIMFY-MJBXVCDLSA-N 1 1 311.426 0.611 10 0 DCAEMO Cn1c(=O)cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)n(C)c1=O ZINC000273462141 395923017 /nfs/dbraw/zinc/92/30/17/395923017.db2.gz ZSUJKKGBVFLYSN-STQMWFEESA-N 1 1 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CCOC(=O)[C@@H](CC)[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000249263145 287108352 /nfs/dbraw/zinc/10/83/52/287108352.db2.gz ICSGCNQVSPLJHP-LSDHHAIUSA-N 1 1 314.426 0.486 10 0 DCAEMO CCOC(=O)[C@@H](CC)[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000249263145 287108356 /nfs/dbraw/zinc/10/83/56/287108356.db2.gz ICSGCNQVSPLJHP-LSDHHAIUSA-N 1 1 314.426 0.486 10 0 DCAEMO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249578900 287114742 /nfs/dbraw/zinc/11/47/42/287114742.db2.gz QGORKBZZUURHLE-GJZGRUSLSA-N 1 1 317.433 0.963 10 0 DCAEMO C[C@H]1Cc2ccccc2N1C(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249578900 287114743 /nfs/dbraw/zinc/11/47/43/287114743.db2.gz QGORKBZZUURHLE-GJZGRUSLSA-N 1 1 317.433 0.963 10 0 DCAEMO COC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000355347010 287180411 /nfs/dbraw/zinc/18/04/11/287180411.db2.gz VWNREPYMTYBDMU-JSGCOSHPSA-N 1 1 310.394 0.651 10 0 DCAEMO CC[C@@H]1CN(CCn2c(C)csc2=O)CC[N@H+]1C[C@@H](C)O ZINC000105825954 287196386 /nfs/dbraw/zinc/19/63/86/287196386.db2.gz RYUPNMWSHKCGRB-ZIAGYGMSSA-N 1 1 313.467 0.995 10 0 DCAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CC(=O)N1CCOCC1 ZINC000328789199 287262593 /nfs/dbraw/zinc/26/25/93/287262593.db2.gz PVCSQSRFWISDQR-CQSZACIVSA-N 1 1 311.426 0.568 10 0 DCAEMO COc1ccc(COC[C@H](O)C[N@H+]2CCNC(=O)CC2)cc1 ZINC000065954500 415354387 /nfs/dbraw/zinc/35/43/87/415354387.db2.gz SYWNXKFGIZAQMJ-CQSZACIVSA-N 1 1 308.378 0.395 10 0 DCAEMO CC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000052919296 415318922 /nfs/dbraw/zinc/31/89/22/415318922.db2.gz VEYTUCJJLIZKET-UHFFFAOYSA-N 1 1 307.369 0.948 10 0 DCAEMO CC(=O)N1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000052919296 415318930 /nfs/dbraw/zinc/31/89/30/415318930.db2.gz VEYTUCJJLIZKET-UHFFFAOYSA-N 1 1 307.369 0.948 10 0 DCAEMO COCC[N@@H+](C)CCCNC(=O)NCc1cccnc1N(C)C ZINC000061952617 415348328 /nfs/dbraw/zinc/34/83/28/415348328.db2.gz GTXQVKRADGCYHS-UHFFFAOYSA-N 1 1 323.441 0.915 10 0 DCAEMO C[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)CN1CC[NH+](C)CC1 ZINC000074385563 415430011 /nfs/dbraw/zinc/43/00/11/415430011.db2.gz QMDVWJVMQDTMDE-HZSPNIEDSA-N 1 1 300.447 0.186 10 0 DCAEMO CC(C)N1CC[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1=O ZINC000332838679 415487716 /nfs/dbraw/zinc/48/77/16/415487716.db2.gz HDPJDUAFGMOEFP-RDBSUJKOSA-N 1 1 308.426 0.731 10 0 DCAEMO CCOCCNC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000084715626 415502581 /nfs/dbraw/zinc/50/25/81/415502581.db2.gz IRFFQBQKRGBKJI-LBPRGKRZSA-N 1 1 300.399 0.803 10 0 DCAEMO CCOCCNC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000084715626 415502587 /nfs/dbraw/zinc/50/25/87/415502587.db2.gz IRFFQBQKRGBKJI-LBPRGKRZSA-N 1 1 300.399 0.803 10 0 DCAEMO CC[C@@H](C)C[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000088493545 415518369 /nfs/dbraw/zinc/51/83/69/415518369.db2.gz PEFIOKSEBSTSAD-CYBMUJFWSA-N 1 1 305.444 0.227 10 0 DCAEMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)o1 ZINC000284868727 415601658 /nfs/dbraw/zinc/60/16/58/415601658.db2.gz DHAKZMQMZWISKZ-STQMWFEESA-N 1 1 314.407 0.990 10 0 DCAEMO Cc1cc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(C)o1 ZINC000284868727 415601667 /nfs/dbraw/zinc/60/16/67/415601667.db2.gz DHAKZMQMZWISKZ-STQMWFEESA-N 1 1 314.407 0.990 10 0 DCAEMO Cc1nn(C)c(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000104748601 415627413 /nfs/dbraw/zinc/62/74/13/415627413.db2.gz YGFABIJBTPTDQX-LBPRGKRZSA-N 1 1 300.428 0.609 10 0 DCAEMO O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCNC(=O)CC1 ZINC000105178143 415633302 /nfs/dbraw/zinc/63/33/02/415633302.db2.gz UVKHNQANXUYIRR-UHFFFAOYSA-N 1 1 322.434 0.638 10 0 DCAEMO O=C(NCC[N@H+]1CCc2sccc2C1)N1CCNC(=O)CC1 ZINC000105178143 415633308 /nfs/dbraw/zinc/63/33/08/415633308.db2.gz UVKHNQANXUYIRR-UHFFFAOYSA-N 1 1 322.434 0.638 10 0 DCAEMO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000105317755 415633367 /nfs/dbraw/zinc/63/33/67/415633367.db2.gz DGALAQLTATVCNC-UHFFFAOYSA-N 1 1 304.394 0.870 10 0 DCAEMO 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/nfs/dbraw/zinc/71/42/95/415714295.db2.gz YSNCWQYXLBGQJK-LBPRGKRZSA-N 1 1 306.414 0.767 10 0 DCAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C[C@@H](C)O ZINC000333798049 415740291 /nfs/dbraw/zinc/74/02/91/415740291.db2.gz HIMUNBZZUYSQKC-RBSFLKMASA-N 1 1 312.458 0.615 10 0 DCAEMO COc1cc2[nH+]c(N3C[C@@H](F)C[C@H]3CO)nc(N)c2cc1OC ZINC000344111018 415839008 /nfs/dbraw/zinc/83/90/08/415839008.db2.gz LHIBNRQTRZCFSX-IUCAKERBSA-N 1 1 322.340 1.138 10 0 DCAEMO C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC1(O)CCCC1 ZINC000124322352 415848962 /nfs/dbraw/zinc/84/89/62/415848962.db2.gz CESPXMZOSGITFP-ZDUSSCGKSA-N 1 1 304.456 0.895 10 0 DCAEMO CC[N@H+]1CC[C@@H](NC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1 ZINC000334130409 415815277 /nfs/dbraw/zinc/81/52/77/415815277.db2.gz TWELQRXHTKGVAY-ZBFHGGJFSA-N 1 1 321.425 0.771 10 0 DCAEMO CCOc1cc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ncn1 ZINC000122120006 415827629 /nfs/dbraw/zinc/82/76/29/415827629.db2.gz PAXUFJMUAIYEEB-CYBMUJFWSA-N 1 1 319.409 0.618 10 0 DCAEMO 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ZINC000175036649 416094824 /nfs/dbraw/zinc/09/48/24/416094824.db2.gz COOKOONYHWOERB-QWHCGFSZSA-N 1 1 308.426 0.875 10 0 DCAEMO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000175959962 416116137 /nfs/dbraw/zinc/11/61/37/416116137.db2.gz OEGQPHBLWHPLGL-ZIAGYGMSSA-N 1 1 301.431 0.805 10 0 DCAEMO CC[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000176616699 416129559 /nfs/dbraw/zinc/12/95/59/416129559.db2.gz RVIIFTHKGJNIFM-AWEZNQCLSA-N 1 1 324.425 0.113 10 0 DCAEMO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177232969 416143176 /nfs/dbraw/zinc/14/31/76/416143176.db2.gz BIMCOUUEJVOJTA-KGLIPLIRSA-N 1 1 304.456 0.462 10 0 DCAEMO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177232969 416143181 /nfs/dbraw/zinc/14/31/81/416143181.db2.gz BIMCOUUEJVOJTA-KGLIPLIRSA-N 1 1 304.456 0.462 10 0 DCAEMO C[C@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@@H]1N1CCOCC1 ZINC000177274545 416145110 /nfs/dbraw/zinc/14/51/10/416145110.db2.gz VDDDHQAZAZUPLC-ZFWWWQNUSA-N 1 1 307.394 0.548 10 0 DCAEMO C[C@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@@H]1N1CCOCC1 ZINC000177274545 416145115 /nfs/dbraw/zinc/14/51/15/416145115.db2.gz VDDDHQAZAZUPLC-ZFWWWQNUSA-N 1 1 307.394 0.548 10 0 DCAEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000177880100 416154414 /nfs/dbraw/zinc/15/44/14/416154414.db2.gz XJJHQOUVUZNMFD-QWHCGFSZSA-N 1 1 306.414 0.576 10 0 DCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(C)(C)C)CC1 ZINC000177991113 416154668 /nfs/dbraw/zinc/15/46/68/416154668.db2.gz POXBCUAVGDOHCJ-CYBMUJFWSA-N 1 1 310.442 0.981 10 0 DCAEMO CC[C@H]1CN(C(=O)CNC(=O)C(C)(C)C)CC[N@H+]1C[C@@H](C)O ZINC000174612666 416080747 /nfs/dbraw/zinc/08/07/47/416080747.db2.gz OHYFPSSSLZRESD-OLZOCXBDSA-N 1 1 313.442 0.452 10 0 DCAEMO CCOCCOCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174616179 416081362 /nfs/dbraw/zinc/08/13/62/416081362.db2.gz MKMXGBYTAXNGNH-ZIAGYGMSSA-N 1 1 302.415 0.343 10 0 DCAEMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4ccnc4C3)[C@H]2C1 ZINC000329409022 416168374 /nfs/dbraw/zinc/16/83/74/416168374.db2.gz ACNSVJBIEMRFPW-SOUVJXGZSA-N 1 1 318.421 0.767 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000179462785 416189870 /nfs/dbraw/zinc/18/98/70/416189870.db2.gz PQKUFSIVPNWIJW-ZDUSSCGKSA-N 1 1 322.413 0.577 10 0 DCAEMO COC(=O)Cn1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000179866601 416191991 /nfs/dbraw/zinc/19/19/91/416191991.db2.gz GEAVVZQGYWTVOP-VXGBXAGGSA-N 1 1 321.381 0.757 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)C[C@@H]1N1CCOCC1 ZINC000180235327 416194398 /nfs/dbraw/zinc/19/43/98/416194398.db2.gz USDQFLXTZXZJDI-FZMZJTMJSA-N 1 1 309.435 1.000 10 0 DCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc3c(c2)OCO3)cn1 ZINC000181357236 416206137 /nfs/dbraw/zinc/20/61/37/416206137.db2.gz RVYODGULAZBDBR-CYBMUJFWSA-N 1 1 314.345 0.936 10 0 DCAEMO C[C@H](Oc1cccnc1)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181382384 416206829 /nfs/dbraw/zinc/20/68/29/416206829.db2.gz GMACKGZDCYXCDU-SWLSCSKDSA-N 1 1 315.377 0.756 10 0 DCAEMO 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396393425 /nfs/dbraw/zinc/39/34/25/396393425.db2.gz MKKAAROQALAEEV-OCCSQVGLSA-N 1 1 310.369 0.914 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000190350430 396405054 /nfs/dbraw/zinc/40/50/54/396405054.db2.gz DMYJJQBHIVDCCN-NWDGAFQWSA-N 1 1 305.382 0.444 10 0 DCAEMO Cn1c2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)ccc2[nH]c1=O ZINC000269738711 396441823 /nfs/dbraw/zinc/44/18/23/396441823.db2.gz IYHWSKQPHKOYJZ-LBPRGKRZSA-N 1 1 300.362 0.787 10 0 DCAEMO C[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372221588 396498090 /nfs/dbraw/zinc/49/80/90/396498090.db2.gz JUXYUXSMWATCMB-FRRDWIJNSA-N 1 1 303.428 0.168 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]n1 ZINC000372051658 396485371 /nfs/dbraw/zinc/48/53/71/396485371.db2.gz PJJFNLIEMWNLRA-NILFDRSVSA-N 1 1 321.425 0.812 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n[nH]1 ZINC000372051658 396485374 /nfs/dbraw/zinc/48/53/74/396485374.db2.gz PJJFNLIEMWNLRA-NILFDRSVSA-N 1 1 321.425 0.812 10 0 DCAEMO Cc1cc(C[C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n[nH]1 ZINC000372051658 396485377 /nfs/dbraw/zinc/48/53/77/396485377.db2.gz PJJFNLIEMWNLRA-NILFDRSVSA-N 1 1 321.425 0.812 10 0 DCAEMO Cc1cc(C)n(CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1 ZINC000292940680 396577872 /nfs/dbraw/zinc/57/78/72/396577872.db2.gz JUYXHPIEFIXXTB-HNNXBMFYSA-N 1 1 304.398 0.921 10 0 DCAEMO CC(=O)[C@@](C)(O)C[N@H+]1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1 ZINC000595719982 396651973 /nfs/dbraw/zinc/65/19/73/396651973.db2.gz GDOACWNBWUNMIL-UHOFOFEASA-N 1 1 313.394 0.617 10 0 DCAEMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1 ZINC000373848844 396617865 /nfs/dbraw/zinc/61/78/65/396617865.db2.gz DORALLVUQFDSRY-MRXNPFEDSA-N 1 1 317.345 0.786 10 0 DCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCSC[C@H]1CCO ZINC000561143678 396630851 /nfs/dbraw/zinc/63/08/51/396630851.db2.gz AXLSYDHBWBQELI-BNOWGMLFSA-N 1 1 313.467 0.979 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)C[C@@H](C)O1 ZINC000374545945 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ZINC000174849640 416089141 /nfs/dbraw/zinc/08/91/41/416089141.db2.gz WYWQRURRDQVBRK-SWLSCSKDSA-N 1 1 316.405 0.893 10 0 DCAEMO Cc1nccc(CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000175701958 416113018 /nfs/dbraw/zinc/11/30/18/416113018.db2.gz TTWZOMANBNKPDZ-IUODEOHRSA-N 1 1 319.409 0.647 10 0 DCAEMO O=S1(=O)CC[C@H](Nc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000328627067 416123550 /nfs/dbraw/zinc/12/35/50/416123550.db2.gz FTVDMRVTZIQTEH-QWRGUYRKSA-N 1 1 312.395 0.667 10 0 DCAEMO Nc1ccc(N[C@H]2CCCN(C(=O)Cn3ccnn3)CC2)c[nH+]1 ZINC000328636544 416125511 /nfs/dbraw/zinc/12/55/11/416125511.db2.gz OBNRVLDINLZQHB-LBPRGKRZSA-N 1 1 315.381 0.749 10 0 DCAEMO C[C@@](O)(CNC(=O)c1cc(Cl)c[nH]1)C[NH+]1CCOCC1 ZINC000176484499 416127847 /nfs/dbraw/zinc/12/78/47/416127847.db2.gz RTSGJFBENXCVCZ-CYBMUJFWSA-N 1 1 301.774 0.481 10 0 DCAEMO COC(=O)CC1(CS(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000176701733 416133176 /nfs/dbraw/zinc/13/31/76/416133176.db2.gz COPNFYASZBOFNQ-GFCCVEGCSA-N 1 1 316.423 0.440 10 0 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/nfs/dbraw/zinc/16/68/12/416166812.db2.gz OVBWRNULVXQTTD-CYBMUJFWSA-N 1 1 317.455 0.401 10 0 DCAEMO COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000178627836 416167930 /nfs/dbraw/zinc/16/79/30/416167930.db2.gz YTCXROHUKWFTAB-UKRRQHHQSA-N 1 1 323.437 0.567 10 0 DCAEMO CC(C)[C@@H](O)CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000178644585 416168135 /nfs/dbraw/zinc/16/81/35/416168135.db2.gz UMUXWOLCWYNEPJ-AWEZNQCLSA-N 1 1 308.426 0.765 10 0 DCAEMO CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000178971375 416178692 /nfs/dbraw/zinc/17/86/92/416178692.db2.gz ACRKDJTTZTUXJW-AWEZNQCLSA-N 1 1 305.426 0.513 10 0 DCAEMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3cccnc3)on2)C1 ZINC000358056341 416181886 /nfs/dbraw/zinc/18/18/86/416181886.db2.gz AZXNIGWKMPOFDX-HNNXBMFYSA-N 1 1 302.334 0.533 10 0 DCAEMO Cc1nn(C)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000179167235 416183221 /nfs/dbraw/zinc/18/32/21/416183221.db2.gz FNUDDXUKDRQWPV-OCCSQVGLSA-N 1 1 319.409 0.610 10 0 DCAEMO CCc1nnc(CN2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1C ZINC000179251595 416184382 /nfs/dbraw/zinc/18/43/82/416184382.db2.gz ZKUKQGKRTVQQCO-HNNXBMFYSA-N 1 1 320.485 0.979 10 0 DCAEMO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)O1 ZINC000179714535 416191598 /nfs/dbraw/zinc/19/15/98/416191598.db2.gz GQMHKNOQJISJFE-KGLIPLIRSA-N 1 1 324.425 0.112 10 0 DCAEMO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1O ZINC000181455960 416207502 /nfs/dbraw/zinc/20/75/02/416207502.db2.gz KOFGLIBDAJHUBJ-ZDUSSCGKSA-N 1 1 316.361 0.921 10 0 DCAEMO C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000329238245 416157985 /nfs/dbraw/zinc/15/79/85/416157985.db2.gz KZBALSCLNHDUDT-YIYPIFLZSA-N 1 1 317.455 0.366 10 0 DCAEMO CC(C)S(=O)(=O)CC[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000178214479 416159261 /nfs/dbraw/zinc/15/92/61/416159261.db2.gz UYCAFYUKLQDURF-AWEZNQCLSA-N 1 1 318.483 0.995 10 0 DCAEMO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000178327683 416160704 /nfs/dbraw/zinc/16/07/04/416160704.db2.gz WXCAEKICMSBPIQ-HZPDHXFCSA-N 1 1 308.426 0.349 10 0 DCAEMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@H+]1C ZINC000178274263 416161600 /nfs/dbraw/zinc/16/16/00/416161600.db2.gz BHNNGKVFAXWGRQ-JHJVBQTASA-N 1 1 319.409 0.704 10 0 DCAEMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3CC(=O)C3)CC2)CC1 ZINC000183534376 416243222 /nfs/dbraw/zinc/24/32/22/416243222.db2.gz AGUHMPNYBZULFI-UHFFFAOYSA-N 1 1 321.421 0.368 10 0 DCAEMO C[C@@H]1CN(C(=O)NCCCn2ccnn2)CC[N@H+]1CC(C)(C)O ZINC000186635145 416257755 /nfs/dbraw/zinc/25/77/55/416257755.db2.gz HIGVSUSAJCCHRL-CYBMUJFWSA-N 1 1 324.429 0.155 10 0 DCAEMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(S(C)(=O)=O)cs3)C[C@H]2C1 ZINC000192477878 416306167 /nfs/dbraw/zinc/30/61/67/416306167.db2.gz FJJRNUMSPXBQPS-AOOOYVTPSA-N 1 1 314.432 0.785 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cn1 ZINC000193285723 416314388 /nfs/dbraw/zinc/31/43/88/416314388.db2.gz DNIIYCRQLLFBBN-LBPRGKRZSA-N 1 1 324.356 0.386 10 0 DCAEMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000248392910 416333407 /nfs/dbraw/zinc/33/34/07/416333407.db2.gz DOQNODPCMMVGEI-HIFRSBDPSA-N 1 1 318.421 0.886 10 0 DCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000261709634 416335605 /nfs/dbraw/zinc/33/56/05/416335605.db2.gz DLWOHMKGIWXRFA-NWDGAFQWSA-N 1 1 321.402 0.993 10 0 DCAEMO CCC[C@@]1(COC)CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000194933731 416324971 /nfs/dbraw/zinc/32/49/71/416324971.db2.gz WSTRDRKJAVEODE-CVEARBPZSA-N 1 1 300.443 0.961 10 0 DCAEMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1 ZINC000359922791 416366196 /nfs/dbraw/zinc/36/61/96/416366196.db2.gz INXOQPXXDBVPGN-CABCVRRESA-N 1 1 312.458 0.833 10 0 DCAEMO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000532706722 416450394 /nfs/dbraw/zinc/45/03/94/416450394.db2.gz VYLMAALBXSORKM-NSHDSACASA-N 1 1 300.355 0.082 10 0 DCAEMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000532706722 416450402 /nfs/dbraw/zinc/45/04/02/416450402.db2.gz 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416653284 /nfs/dbraw/zinc/65/32/84/416653284.db2.gz NBVTXISCKCSXFK-LBPRGKRZSA-N 1 1 300.399 0.491 10 0 DCAEMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000367910067 416655402 /nfs/dbraw/zinc/65/54/02/416655402.db2.gz HRVVQTHPWAQTJQ-KGLIPLIRSA-N 1 1 322.471 0.376 10 0 DCAEMO C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000442626614 416699867 /nfs/dbraw/zinc/69/98/67/416699867.db2.gz QOTBGJFSPJRNPV-KGLIPLIRSA-N 1 1 312.458 0.615 10 0 DCAEMO C(C[N@@H+]1CCCOCC1)Nc1nnc(C2CCOCC2)s1 ZINC000555194585 416710804 /nfs/dbraw/zinc/71/08/04/416710804.db2.gz XAILZOIYCXDCIU-UHFFFAOYSA-N 1 1 312.439 1.566 10 0 DCAEMO C(C[N@H+]1CCCOCC1)Nc1nnc(C2CCOCC2)s1 ZINC000555194585 416710806 /nfs/dbraw/zinc/71/08/06/416710806.db2.gz XAILZOIYCXDCIU-UHFFFAOYSA-N 1 1 312.439 1.566 10 0 DCAEMO CCn1c(-c2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000518222549 416847289 /nfs/dbraw/zinc/84/72/89/416847289.db2.gz XKNZEWYVGKMOQM-ZDUSSCGKSA-N 1 1 314.393 0.881 10 0 DCAEMO CCn1c(-c2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000518222549 416847298 /nfs/dbraw/zinc/84/72/98/416847298.db2.gz XKNZEWYVGKMOQM-ZDUSSCGKSA-N 1 1 314.393 0.881 10 0 DCAEMO CCN1CC[NH+](CCC(=O)NCc2nnc3ccccn32)CC1 ZINC000525179246 417128442 /nfs/dbraw/zinc/12/84/42/417128442.db2.gz DAAWCPRRKVNSBP-UHFFFAOYSA-N 1 1 316.409 0.373 10 0 DCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000408114387 417140579 /nfs/dbraw/zinc/14/05/79/417140579.db2.gz XSAUUCAGDVKICA-JTQLQIEISA-N 1 1 301.346 0.689 10 0 DCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000408114387 417140585 /nfs/dbraw/zinc/14/05/85/417140585.db2.gz XSAUUCAGDVKICA-JTQLQIEISA-N 1 1 301.346 0.689 10 0 DCAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000408449528 417161339 /nfs/dbraw/zinc/16/13/39/417161339.db2.gz CYIQTASLABWWMV-BZPMIXESSA-N 1 1 309.410 0.352 10 0 DCAEMO CC(C)(C)[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O ZINC000408199780 417145843 /nfs/dbraw/zinc/14/58/43/417145843.db2.gz 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JWECLYHZBFKEDJ-YIONKMFJSA-N 1 1 310.442 0.585 10 0 DCAEMO CC(=O)N(C[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O)C1CC1 ZINC000328630528 526493147 /nfs/dbraw/zinc/49/31/47/526493147.db2.gz JLIBRMMRMFSUDB-AWEZNQCLSA-N 1 1 322.409 0.608 10 0 DCAEMO CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2CCNC2=O)CC1 ZINC000187536523 526631604 /nfs/dbraw/zinc/63/16/04/526631604.db2.gz NFARGDGIKUVQMY-MRXNPFEDSA-N 1 1 316.405 0.651 10 0 DCAEMO CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2CCNC2=O)CC1 ZINC000187536542 526632509 /nfs/dbraw/zinc/63/25/09/526632509.db2.gz NFARGDGIKUVQMY-INIZCTEOSA-N 1 1 316.405 0.651 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000285736892 536469373 /nfs/dbraw/zinc/46/93/73/536469373.db2.gz KUFZXKNWFAZFPK-GJZGRUSLSA-N 1 1 314.389 0.808 10 0 DCAEMO CCN(CC)C(=O)CCCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188699144 528000509 /nfs/dbraw/zinc/00/05/09/528000509.db2.gz WZVAGHCAZYXTBE-CQSZACIVSA-N 1 1 313.442 0.550 10 0 DCAEMO CCN(CC)C(=O)CCCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188699144 528000512 /nfs/dbraw/zinc/00/05/12/528000512.db2.gz WZVAGHCAZYXTBE-CQSZACIVSA-N 1 1 313.442 0.550 10 0 DCAEMO CCOCCOCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186894597 528789177 /nfs/dbraw/zinc/78/91/77/528789177.db2.gz RDHGGGUDWHLSBB-ZDUSSCGKSA-N 1 1 302.415 0.343 10 0 DCAEMO CCn1cnc2c1ncnc2N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284623325 536132781 /nfs/dbraw/zinc/13/27/81/536132781.db2.gz UBDNTWCGXIEMLX-NWDGAFQWSA-N 1 1 302.382 0.756 10 0 DCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000285736899 536479811 /nfs/dbraw/zinc/47/98/11/536479811.db2.gz KUFZXKNWFAZFPK-LSDHHAIUSA-N 1 1 314.389 0.808 10 0 DCAEMO CN(Cc1ccc(Br)o1)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000037819875 545647357 /nfs/dbraw/zinc/64/73/57/545647357.db2.gz XKAPICCMDIWRBY-ZETCQYMHSA-N 1 1 304.144 0.203 10 0 DCAEMO O=C1NC[C@@H]2C[N@H+](Cc3cccc4cnccc43)CCN2C1=O ZINC000183404380 545908423 /nfs/dbraw/zinc/90/84/23/545908423.db2.gz PROUWBWOFBODEB-CQSZACIVSA-N 1 1 310.357 0.377 10 0 DCAEMO O=C1NC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CCN2C1=O ZINC000183404380 545908428 /nfs/dbraw/zinc/90/84/28/545908428.db2.gz PROUWBWOFBODEB-CQSZACIVSA-N 1 1 310.357 0.377 10 0 DCAEMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000332966705 546067718 /nfs/dbraw/zinc/06/77/18/546067718.db2.gz UZZMMVZNODUWFF-QPSCCSFWSA-N 1 1 321.421 0.509 10 0 DCAEMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000332966705 546067721 /nfs/dbraw/zinc/06/77/21/546067721.db2.gz UZZMMVZNODUWFF-QPSCCSFWSA-N 1 1 321.421 0.509 10 0 DCAEMO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368793471 546210014 /nfs/dbraw/zinc/21/00/14/546210014.db2.gz WVWSGWBRXOPNCJ-SFYZADRCSA-N 1 1 309.288 0.220 10 0 DCAEMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC000534995463 546290828 /nfs/dbraw/zinc/29/08/28/546290828.db2.gz SIRKVVATNLWTAI-JSGCOSHPSA-N 1 1 317.393 0.625 10 0 DCAEMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H](NC(N)=O)C2)C1 ZINC000534995463 546290836 /nfs/dbraw/zinc/29/08/36/546290836.db2.gz SIRKVVATNLWTAI-JSGCOSHPSA-N 1 1 317.393 0.625 10 0 DCAEMO O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000671492463 547226166 /nfs/dbraw/zinc/22/61/66/547226166.db2.gz GFVFXMQKHMEOKD-HNNXBMFYSA-N 1 1 302.334 0.644 10 0 DCAEMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000089939285 658398426 /nfs/dbraw/zinc/39/84/26/658398426.db2.gz NZTLFUVYQJODQQ-NSHDSACASA-N 1 1 301.412 0.666 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000178516568 661012086 /nfs/dbraw/zinc/01/20/86/661012086.db2.gz ZJEGZDJFRAKDPM-OLZOCXBDSA-N 1 1 312.410 0.897 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CCO1 ZINC000178516568 661012087 /nfs/dbraw/zinc/01/20/87/661012087.db2.gz ZJEGZDJFRAKDPM-OLZOCXBDSA-N 1 1 312.410 0.897 10 0 DCAEMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc[nH]c(=O)c1)C2 ZINC000888095194 661165623 /nfs/dbraw/zinc/16/56/23/661165623.db2.gz RPAXPQMJVWJMFT-GKLJAUDBSA-N 1 1 319.405 0.997 10 0 DCAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356309791 665434217 /nfs/dbraw/zinc/43/42/17/665434217.db2.gz HCPPUBNVAOVVKY-UKRRQHHQSA-N 1 1 311.451 0.852 10 0 DCAEMO C[N@@H+]1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046386 657918286 /nfs/dbraw/zinc/91/82/86/657918286.db2.gz CKERKODTGWSQJP-RKDXNWHRSA-N 1 1 306.275 0.543 10 0 DCAEMO C[N@H+]1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C[C@@H]1CO ZINC000724046386 657918291 /nfs/dbraw/zinc/91/82/91/657918291.db2.gz CKERKODTGWSQJP-RKDXNWHRSA-N 1 1 306.275 0.543 10 0 DCAEMO C[C@](O)(C[N@H+]1CC[C@@H](O)[C@H](CO)C1)C(F)(F)C(F)(F)F ZINC000724057039 657929265 /nfs/dbraw/zinc/92/92/65/657929265.db2.gz GWVHNQGLRWOIQO-YIZRAAEISA-N 1 1 307.259 0.610 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCCc2ccnn2C)C[C@H]1C ZINC000185000499 659239290 /nfs/dbraw/zinc/23/92/90/659239290.db2.gz JZOWYYZKEFVRQD-CHWSQXEVSA-N 1 1 309.414 0.059 10 0 DCAEMO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)O1 ZINC000248863151 661534445 /nfs/dbraw/zinc/53/44/45/661534445.db2.gz AMKDWKPCAPAZNS-RQJABVFESA-N 1 1 310.394 0.650 10 0 DCAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361708475 665803038 /nfs/dbraw/zinc/80/30/38/665803038.db2.gz ZJYPKVALMOKBGH-MELADBBJSA-N 1 1 311.451 0.851 10 0 DCAEMO CN(CCNC(=O)C1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000261951305 661920638 /nfs/dbraw/zinc/92/06/38/661920638.db2.gz ZARFCFGWQCMYTM-UHFFFAOYSA-N 1 1 309.385 0.882 10 0 DCAEMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000054204284 662133153 /nfs/dbraw/zinc/13/31/53/662133153.db2.gz CPMHUOOSMOAEHV-CQSZACIVSA-N 1 1 314.389 0.790 10 0 DCAEMO CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)C1 ZINC000898558165 663095593 /nfs/dbraw/zinc/09/55/93/663095593.db2.gz XGAHAAJEALIYBP-QNWHQSFQSA-N 1 1 316.373 0.455 10 0 DCAEMO CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)C1 ZINC000898558165 663095594 /nfs/dbraw/zinc/09/55/94/663095594.db2.gz XGAHAAJEALIYBP-QNWHQSFQSA-N 1 1 316.373 0.455 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C[C@H]1c1cn[nH]n1 ZINC000911355735 664035723 /nfs/dbraw/zinc/03/57/23/664035723.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C[C@H]1c1c[nH]nn1 ZINC000911355735 664035725 /nfs/dbraw/zinc/03/57/25/664035725.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C[C@H]1c1c[nH]nn1 ZINC000911355735 664035726 /nfs/dbraw/zinc/03/57/26/664035726.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C[C@H]1c1cnn[nH]1 ZINC000911355735 664035728 /nfs/dbraw/zinc/03/57/28/664035728.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C[C@H]1c1cnn[nH]1 ZINC000911355735 664035731 /nfs/dbraw/zinc/03/57/31/664035731.db2.gz QUGYFAUQBDCLKV-DDHJSBNISA-N 1 1 319.409 0.762 10 0 DCAEMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cnc(N)nc3)CC[C@H]21 ZINC000227347746 664533398 /nfs/dbraw/zinc/53/33/98/664533398.db2.gz UYVIVBJXTINHQV-ZYHUDNBSSA-N 1 1 311.411 0.164 10 0 DCAEMO C#CCNC(=O)C[NH+](CC(=O)NCC#C)CC1CCCCC1 ZINC000073804798 666566110 /nfs/dbraw/zinc/56/61/10/666566110.db2.gz DCLKNAUJQWNKEV-UHFFFAOYSA-N 1 1 303.406 0.368 10 0 DCAEMO O=C1OCC[C@@H]1CC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000120466941 667316672 /nfs/dbraw/zinc/31/66/72/667316672.db2.gz AAHNYOOZWJSAHY-LBPRGKRZSA-N 1 1 316.365 0.200 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCS(=O)(=O)CC)C1 ZINC000120645131 667335250 /nfs/dbraw/zinc/33/52/50/667335250.db2.gz UJKPRIWJTOGWQA-LBPRGKRZSA-N 1 1 305.444 0.547 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)CCS(=O)(=O)CC)C1 ZINC000120645131 667335252 /nfs/dbraw/zinc/33/52/52/667335252.db2.gz UJKPRIWJTOGWQA-LBPRGKRZSA-N 1 1 305.444 0.547 10 0 DCAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097241 667731957 /nfs/dbraw/zinc/73/19/57/667731957.db2.gz VKEJWLXULVSLEL-GFCCVEGCSA-N 1 1 322.365 0.005 10 0 DCAEMO C[N@H+]1CCO[C@@H](C(=O)N2CC(OCc3nc(C4CC4)no3)C2)C1 ZINC000886097241 667731960 /nfs/dbraw/zinc/73/19/60/667731960.db2.gz VKEJWLXULVSLEL-GFCCVEGCSA-N 1 1 322.365 0.005 10 0 DCAEMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000187297251 668248458 /nfs/dbraw/zinc/24/84/58/668248458.db2.gz QWVGTEGFCCZFNE-LLVKDONJSA-N 1 1 322.365 0.624 10 0 DCAEMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000187297251 668248461 /nfs/dbraw/zinc/24/84/61/668248461.db2.gz QWVGTEGFCCZFNE-LLVKDONJSA-N 1 1 322.365 0.624 10 0 DCAEMO CC[C@@H]1CN(C(=O)NCc2nonc2C)C[C@H]1[NH+]1CCOCC1 ZINC000876439406 668446390 /nfs/dbraw/zinc/44/63/90/668446390.db2.gz KPQXUUVTVIVQII-TZMCWYRMSA-N 1 1 323.397 0.630 10 0 DCAEMO C[C@H](c1ccc(F)nc1)[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786746 669080929 /nfs/dbraw/zinc/08/09/29/669080929.db2.gz FICWEERPZNEDSX-KOLCDFICSA-N 1 1 304.329 0.919 10 0 DCAEMO C[C@H](c1ccc(F)nc1)[N@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000930786746 669080933 /nfs/dbraw/zinc/08/09/33/669080933.db2.gz FICWEERPZNEDSX-KOLCDFICSA-N 1 1 304.329 0.919 10 0 DCAEMO C[C@H]1CN(C[C@H](O)c2ccc(F)c(F)c2)CC[N@H+]1CCO ZINC000187716528 669949571 /nfs/dbraw/zinc/94/95/71/669949571.db2.gz FLOPQRMWGLQZCF-NHYWBVRUSA-N 1 1 300.349 0.997 10 0 DCAEMO Cn1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(Br)n1 ZINC000712400182 670149131 /nfs/dbraw/zinc/14/91/31/670149131.db2.gz DLIFDABJJPSXLO-SECBINFHSA-N 1 1 322.228 0.849 10 0 DCAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ncc(Br)s1 ZINC000714935214 670196776 /nfs/dbraw/zinc/19/67/76/670196776.db2.gz LWFOVHXEANFAJB-MUWHJKNJSA-N 1 1 320.212 0.899 10 0 DCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(CN3CCCC3=O)CC2)C1 ZINC000117325453 671193077 /nfs/dbraw/zinc/19/30/77/671193077.db2.gz ZYDXCGKSOZHXEC-INIZCTEOSA-N 1 1 324.469 0.293 10 0 DCAEMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@H](C3OCCO3)C2)C1 ZINC000719001754 685306335 /nfs/dbraw/zinc/30/63/35/685306335.db2.gz 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/nfs/dbraw/zinc/13/43/32/526134332.db2.gz QWOWMWUUUMOXEA-LLVKDONJSA-N 1 1 305.378 0.817 10 0 DCAEMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000190016236 526134344 /nfs/dbraw/zinc/13/43/44/526134344.db2.gz QWOWMWUUUMOXEA-LLVKDONJSA-N 1 1 305.378 0.817 10 0 DCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccnn1C ZINC000154641044 527447479 /nfs/dbraw/zinc/44/74/79/527447479.db2.gz DAVBPUDQXWAHFB-GFCCVEGCSA-N 1 1 316.365 0.555 10 0 DCAEMO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000188205178 527455001 /nfs/dbraw/zinc/45/50/01/527455001.db2.gz STKWGQSTOKRFCL-DGCLKSJQSA-N 1 1 300.366 0.975 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@](C)(O)Cc3ccccc3)[C@H]2C1 ZINC000285005415 536469118 /nfs/dbraw/zinc/46/91/18/536469118.db2.gz NLXPUOWKSOOBBR-BQFCYCMXSA-N 1 1 318.417 0.912 10 0 DCAEMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC000285655340 536480107 /nfs/dbraw/zinc/48/01/07/536480107.db2.gz GEHCLZAJHOUAII-WDEREUQCSA-N 1 1 309.391 0.392 10 0 DCAEMO 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YEDCTNNNYWXBCP-PWSUYJOCSA-N 1 1 317.432 0.928 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cn3nccn3)C2)[C@@H]1C(C)C ZINC000888094587 661162023 /nfs/dbraw/zinc/16/20/23/661162023.db2.gz DPYQAMAODIKCHA-LUYZLQTOSA-N 1 1 321.425 0.264 10 0 DCAEMO C[C@](O)(C[N@H+]1CC[C@@H](O)[C@@H](CO)C1)C(F)(F)C(F)(F)F ZINC000724057035 657929336 /nfs/dbraw/zinc/92/93/36/657929336.db2.gz GWVHNQGLRWOIQO-HLTSFMKQSA-N 1 1 307.259 0.610 10 0 DCAEMO COCC[N@@H+](C)C[C@H](O)CN1CCS[C@@H](C(F)(F)F)C1 ZINC000721410003 658580703 /nfs/dbraw/zinc/58/07/03/658580703.db2.gz JAXJJEITCWYNMD-WDEREUQCSA-N 1 1 316.389 0.905 10 0 DCAEMO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000255839403 658665749 /nfs/dbraw/zinc/66/57/49/658665749.db2.gz FACYCEVHLFSHCJ-ZFWWWQNUSA-N 1 1 317.437 0.995 10 0 DCAEMO Cn1c2ccncc2n(CN2CC[C@H]([NH+]3CCOCC3)C2)c1=O ZINC000161394955 658682272 /nfs/dbraw/zinc/68/22/72/658682272.db2.gz HUDFPDIUHIIOOZ-ZDUSSCGKSA-N 1 1 317.393 0.099 10 0 DCAEMO 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/nfs/dbraw/zinc/44/35/22/396443522.db2.gz LSUOVSZWXQDCBA-GFCCVEGCSA-N 1 1 323.466 0.941 10 0 DCAEMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCN1CCCC1 ZINC000189438535 396395493 /nfs/dbraw/zinc/39/54/93/396395493.db2.gz CCFYBFHAJPXKIW-HUUCEWRRSA-N 1 1 315.483 0.971 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCN1CCCC1 ZINC000189438535 396395495 /nfs/dbraw/zinc/39/54/95/396395495.db2.gz CCFYBFHAJPXKIW-HUUCEWRRSA-N 1 1 315.483 0.971 10 0 DCAEMO C[C@H]1CN(C(=O)NCCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000190298330 396404312 /nfs/dbraw/zinc/40/43/12/396404312.db2.gz KLVLNVDZVMJRMK-NWDGAFQWSA-N 1 1 321.368 0.630 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000190356665 396404769 /nfs/dbraw/zinc/40/47/69/396404769.db2.gz FKPOSECGYSGQJN-CHWSQXEVSA-N 1 1 305.382 0.444 10 0 DCAEMO CCc1nn(C)c(CC)c1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190539161 396407634 /nfs/dbraw/zinc/40/76/34/396407634.db2.gz WBBATTIGNIPMLC-ZDUSSCGKSA-N 1 1 322.453 0.612 10 0 DCAEMO 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ZINC000375400291 396737348 /nfs/dbraw/zinc/73/73/48/396737348.db2.gz MDVOFNOZHROITM-GHMZBOCLSA-N 1 1 320.315 0.625 10 0 DCAEMO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375426494 396741484 /nfs/dbraw/zinc/74/14/84/396741484.db2.gz OFILMAODXBVYOU-LLVKDONJSA-N 1 1 322.365 0.416 10 0 DCAEMO COC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309704603 396757632 /nfs/dbraw/zinc/75/76/32/396757632.db2.gz HGLXVLDYGSACCZ-HOTGVXAUSA-N 1 1 305.422 0.989 10 0 DCAEMO COC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309704603 396757636 /nfs/dbraw/zinc/75/76/36/396757636.db2.gz HGLXVLDYGSACCZ-HOTGVXAUSA-N 1 1 305.422 0.989 10 0 DCAEMO CCN(Cc1nnc(C)o1)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1O ZINC000328627825 396826859 /nfs/dbraw/zinc/82/68/59/396826859.db2.gz GPABGMQVNNEWBR-SOUVJXGZSA-N 1 1 324.425 0.814 10 0 DCAEMO Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H](C)N2CC[NH+](C)CC2)[nH]1 ZINC000328705607 396831318 /nfs/dbraw/zinc/83/13/18/396831318.db2.gz YTQDTNBCYGLELK-OCCSQVGLSA-N 1 1 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/nfs/dbraw/zinc/11/88/44/131118844.db2.gz DHAKZMQMZWISKZ-QWHCGFSZSA-N 1 1 314.407 0.990 10 0 DCAEMO Cn1ncc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1C1CC1 ZINC000285082236 131136635 /nfs/dbraw/zinc/13/66/35/131136635.db2.gz DBSCBWJUHZQKRR-KGLIPLIRSA-N 1 1 304.394 0.843 10 0 DCAEMO CCc1nnc2ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)nn21 ZINC000285209878 131148264 /nfs/dbraw/zinc/14/82/64/131148264.db2.gz XAZWVXBTWNZWDO-NEPJUHHUSA-N 1 1 302.382 0.596 10 0 DCAEMO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000034996870 395718711 /nfs/dbraw/zinc/71/87/11/395718711.db2.gz QBGAFEJMUJARPX-AWEZNQCLSA-N 1 1 319.405 0.498 10 0 DCAEMO C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1(C(N)=O)CCCC1 ZINC000093211944 395736498 /nfs/dbraw/zinc/73/64/98/395736498.db2.gz CSTNNVQKNASUTN-LBPRGKRZSA-N 1 1 317.455 0.388 10 0 DCAEMO COC(=O)c1sccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193609768 395773876 /nfs/dbraw/zinc/77/38/76/395773876.db2.gz BKHJSDSAGRATAE-PHIMTYICSA-N 1 1 323.418 0.967 10 0 DCAEMO 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/nfs/dbraw/zinc/90/97/26/395909726.db2.gz REWBHBKOGYZINJ-UHFFFAOYSA-N 1 1 321.396 0.991 10 0 DCAEMO CC[C@@]1(C)NC(=O)N(CC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)C1=O ZINC000127144903 395915210 /nfs/dbraw/zinc/91/52/10/395915210.db2.gz WUTCECNHYPNFMI-JRPNMDOOSA-N 1 1 310.398 0.258 10 0 DCAEMO O=C(C1CCN(c2cnccn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000127716524 395915841 /nfs/dbraw/zinc/91/58/41/395915841.db2.gz NPSZXJXRFNCNCR-UHFFFAOYSA-N 1 1 315.421 1.000 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(N)=O)n1 ZINC000271460869 395866796 /nfs/dbraw/zinc/86/67/96/395866796.db2.gz SZJZCRQPXZFAKS-MNOVXSKESA-N 1 1 303.366 0.881 10 0 DCAEMO Cn1cc(S(=O)(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000119721735 395875031 /nfs/dbraw/zinc/87/50/31/395875031.db2.gz BZTAARISLNQXDO-UHFFFAOYSA-N 1 1 323.422 0.797 10 0 DCAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC000245431582 395928721 /nfs/dbraw/zinc/92/87/21/395928721.db2.gz OCJVGQAOEFTPKC-ABAIWWIYSA-N 1 1 308.426 0.805 10 0 DCAEMO 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/nfs/dbraw/zinc/96/20/06/395962006.db2.gz KSRBXLQGFKFAMO-CHWSQXEVSA-N 1 1 317.455 0.401 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccccc2)C[C@H]1C ZINC000247050192 395964739 /nfs/dbraw/zinc/96/47/39/395964739.db2.gz FGCPAGHWDGXBOS-CABCVRRESA-N 1 1 305.422 0.690 10 0 DCAEMO COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000247138646 395968181 /nfs/dbraw/zinc/96/81/81/395968181.db2.gz JPYOGXVBLCPVTG-DOTOQJQBSA-N 1 1 324.421 0.354 10 0 DCAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)NC(N)=O)C[C@H]1CC ZINC000247229418 395970046 /nfs/dbraw/zinc/97/00/46/395970046.db2.gz RBPHJXOJOCPSKG-VXGBXAGGSA-N 1 1 300.403 0.003 10 0 DCAEMO CC[C@H]1CN(CC(=O)NCc2ccco2)CC[N@H+]1C[C@H](C)O ZINC000247437711 395973193 /nfs/dbraw/zinc/97/31/93/395973193.db2.gz ZLIQVIRCLUVJGO-KBPBESRZSA-N 1 1 309.410 0.673 10 0 DCAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247410638 395973577 /nfs/dbraw/zinc/97/35/77/395973577.db2.gz SQOAPAKRDRLCSW-LSDHHAIUSA-N 1 1 318.421 0.799 10 0 DCAEMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000247560779 395976515 /nfs/dbraw/zinc/97/65/15/395976515.db2.gz QTBHULSRXHATLN-DGCLKSJQSA-N 1 1 313.467 0.939 10 0 DCAEMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CCS1 ZINC000247560779 395976516 /nfs/dbraw/zinc/97/65/16/395976516.db2.gz QTBHULSRXHATLN-DGCLKSJQSA-N 1 1 313.467 0.939 10 0 DCAEMO COC(=O)CCCc1nc(CN2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000247771707 395978787 /nfs/dbraw/zinc/97/87/87/395978787.db2.gz ZVQKKWALKXKCPQ-LBPRGKRZSA-N 1 1 308.382 0.845 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NC(N)=O ZINC000274819172 395979059 /nfs/dbraw/zinc/97/90/59/395979059.db2.gz JPDGYKSSIDPMQE-GXTWGEPZSA-N 1 1 304.394 0.682 10 0 DCAEMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000274819172 395979061 /nfs/dbraw/zinc/97/90/61/395979061.db2.gz JPDGYKSSIDPMQE-GXTWGEPZSA-N 1 1 304.394 0.682 10 0 DCAEMO C[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000248152267 395983552 /nfs/dbraw/zinc/98/35/52/395983552.db2.gz 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/nfs/dbraw/zinc/92/90/97/396929097.db2.gz RKFUFPHFNODOOT-KBPBESRZSA-N 1 1 314.426 0.222 10 0 DCAEMO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000625626505 396958357 /nfs/dbraw/zinc/95/83/57/396958357.db2.gz ZBWYNGCTNDAMOX-ZIAGYGMSSA-N 1 1 304.350 0.448 10 0 DCAEMO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)n1 ZINC000625626505 396958363 /nfs/dbraw/zinc/95/83/63/396958363.db2.gz ZBWYNGCTNDAMOX-ZIAGYGMSSA-N 1 1 304.350 0.448 10 0 DCAEMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000618982431 397051295 /nfs/dbraw/zinc/05/12/95/397051295.db2.gz LGYBVFYYZOZZST-ZDUSSCGKSA-N 1 1 315.377 0.239 10 0 DCAEMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000618982431 397051297 /nfs/dbraw/zinc/05/12/97/397051297.db2.gz LGYBVFYYZOZZST-ZDUSSCGKSA-N 1 1 315.377 0.239 10 0 DCAEMO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000573536040 397177971 /nfs/dbraw/zinc/17/79/71/397177971.db2.gz RDUYWCUAFDFFKQ-PBHICJAKSA-N 1 1 323.437 0.568 10 0 DCAEMO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000364502257 397212408 /nfs/dbraw/zinc/21/24/08/397212408.db2.gz CRBBQQYVPGDPKP-HNNXBMFYSA-N 1 1 318.421 0.617 10 0 DCAEMO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000364502257 397212413 /nfs/dbraw/zinc/21/24/13/397212413.db2.gz CRBBQQYVPGDPKP-HNNXBMFYSA-N 1 1 318.421 0.617 10 0 DCAEMO O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000378467970 397244788 /nfs/dbraw/zinc/24/47/88/397244788.db2.gz YFCNZBQTOMMWTO-OAHLLOKOSA-N 1 1 324.400 0.036 10 0 DCAEMO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000365961836 397335742 /nfs/dbraw/zinc/33/57/42/397335742.db2.gz MELPQRGRGDKLPG-JHJVBQTASA-N 1 1 318.439 0.684 10 0 DCAEMO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000365961836 397335753 /nfs/dbraw/zinc/33/57/53/397335753.db2.gz MELPQRGRGDKLPG-JHJVBQTASA-N 1 1 318.439 0.684 10 0 DCAEMO Cc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1S(N)(=O)=O ZINC000407982236 397342663 /nfs/dbraw/zinc/34/26/63/397342663.db2.gz 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ZINC000299376471 534723972 /nfs/dbraw/zinc/72/39/72/534723972.db2.gz SPTDASFXXXDXNY-UHFFFAOYSA-N 1 1 301.346 0.938 10 0 DCAEMO C[NH+]1CCN([C@@H](C(=O)N2CC(CO)C2)c2ccccc2)CC1 ZINC000159109910 523916878 /nfs/dbraw/zinc/91/68/78/523916878.db2.gz CTYITXADHJSQIE-MRXNPFEDSA-N 1 1 303.406 0.426 10 0 DCAEMO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249971477 525913712 /nfs/dbraw/zinc/91/37/12/525913712.db2.gz KLNPWTIKPJDFAD-QLFBSQMISA-N 1 1 314.426 0.486 10 0 DCAEMO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249971477 525913719 /nfs/dbraw/zinc/91/37/19/525913719.db2.gz KLNPWTIKPJDFAD-QLFBSQMISA-N 1 1 314.426 0.486 10 0 DCAEMO C[C@H](Sc1nncn1C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247174126 526016880 /nfs/dbraw/zinc/01/68/80/526016880.db2.gz KVBBIHCUBBYSDK-SRVKXCTJSA-N 1 1 309.439 0.991 10 0 DCAEMO Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)no1 ZINC000261925478 526921843 /nfs/dbraw/zinc/92/18/43/526921843.db2.gz KZVVQLSQQITPGK-QKCSRTOESA-N 1 1 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CC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)C1 ZINC000334133334 546097476 /nfs/dbraw/zinc/09/74/76/546097476.db2.gz WEIXNIMYOCVMMI-MCIONIFRSA-N 1 1 323.441 0.667 10 0 DCAEMO OCC[N@@H+](CCN1CCOCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128322 546252061 /nfs/dbraw/zinc/25/20/61/546252061.db2.gz CRVSAXGWAVBUOV-UHFFFAOYSA-N 1 1 320.393 0.796 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nc[nH]n3)C2)[C@@H]1C(C)C ZINC000888094554 661161729 /nfs/dbraw/zinc/16/17/29/661161729.db2.gz BHIHVMKQNKLBSL-AVRGHOLYSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@@H]1C(C)C ZINC000888094554 661161730 /nfs/dbraw/zinc/16/17/30/661161730.db2.gz BHIHVMKQNKLBSL-AVRGHOLYSA-N 1 1 321.425 0.333 10 0 DCAEMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)Cc3nnc[nH]3)C2)[C@@H]1C(C)C ZINC000888094554 661161733 /nfs/dbraw/zinc/16/17/33/661161733.db2.gz BHIHVMKQNKLBSL-AVRGHOLYSA-N 1 1 321.425 0.333 10 0 DCAEMO 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/nfs/dbraw/zinc/42/65/43/658426543.db2.gz AQZKLXOIKYCDEG-CQSZACIVSA-N 1 1 319.409 0.928 10 0 DCAEMO CCCn1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000158310400 658426564 /nfs/dbraw/zinc/42/65/64/658426564.db2.gz AQZKLXOIKYCDEG-CQSZACIVSA-N 1 1 319.409 0.928 10 0 DCAEMO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CCc2ccccn2)C1 ZINC000888077284 658717229 /nfs/dbraw/zinc/71/72/29/658717229.db2.gz ZGUHONVFQUGANX-INIZCTEOSA-N 1 1 301.394 0.822 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC000900712324 663274403 /nfs/dbraw/zinc/27/44/03/663274403.db2.gz XQFVBQFIRSMEQX-ZMJPVWNMSA-N 1 1 305.382 0.283 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855421 663648901 /nfs/dbraw/zinc/64/89/01/663648901.db2.gz IVQSGYYMJNEERH-NWDGAFQWSA-N 1 1 303.428 0.140 10 0 DCAEMO COc1cc(CO)ccc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000908096888 663733207 /nfs/dbraw/zinc/73/32/07/663733207.db2.gz NVYBNTBZDZIAKV-LSDHHAIUSA-N 1 1 320.389 0.733 10 0 DCAEMO 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HPDDTOXBZWWVPG-UHFFFAOYSA-N 1 1 304.394 0.903 10 0 DCAEMO Cn1cnc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c1Cl ZINC000702298552 666936587 /nfs/dbraw/zinc/93/65/87/666936587.db2.gz VJMVINBRMSESRN-VIFPVBQESA-N 1 1 304.803 0.542 10 0 DCAEMO CC(C)OC(=O)CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702391115 666948016 /nfs/dbraw/zinc/94/80/16/666948016.db2.gz WRGMHIGRRPGVGX-AWEZNQCLSA-N 1 1 307.394 0.514 10 0 DCAEMO CC(C)OC(=O)CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000702391115 666948017 /nfs/dbraw/zinc/94/80/17/666948017.db2.gz WRGMHIGRRPGVGX-AWEZNQCLSA-N 1 1 307.394 0.514 10 0 DCAEMO COC[C@@H](O)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000735581865 667007927 /nfs/dbraw/zinc/00/79/27/667007927.db2.gz KNQDDWWRPVFPIX-ZDUSSCGKSA-N 1 1 319.365 0.382 10 0 DCAEMO CCN1CCO[C@@H](C[NH2+]Cc2cn(C)nn2)[C@@H]1c1nccn1C ZINC000886074614 667729262 /nfs/dbraw/zinc/72/92/62/667729262.db2.gz HEGJTWGREKZFNF-UONOGXRCSA-N 1 1 319.413 0.100 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1Cn1nc2cnccn2c1=O ZINC000133449336 669811338 /nfs/dbraw/zinc/81/13/38/669811338.db2.gz BYPBTAUUVHJENA-ZDUSSCGKSA-N 1 1 313.365 0.518 10 0 DCAEMO C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@H]1CCCO1 ZINC000076297551 670119029 /nfs/dbraw/zinc/11/90/29/670119029.db2.gz BGTIECMKBTXEAX-CQSZACIVSA-N 1 1 312.410 0.899 10 0 DCAEMO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@H]1CCCO1 ZINC000076297551 670119031 /nfs/dbraw/zinc/11/90/31/670119031.db2.gz BGTIECMKBTXEAX-CQSZACIVSA-N 1 1 312.410 0.899 10 0 DCAEMO Cn1cc(C[NH2+]CCCS(C)(=O)=O)c(Br)n1 ZINC000712449075 670148915 /nfs/dbraw/zinc/14/89/15/670148915.db2.gz UQDQEQQSMWMCHD-UHFFFAOYSA-N 1 1 310.217 0.707 10 0 DCAEMO C[C@](O)(C[N@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1)c1ccccc1 ZINC000818325181 671004365 /nfs/dbraw/zinc/00/43/65/671004365.db2.gz WZMREXLRHKFTCI-CJNGLKHVSA-N 1 1 315.377 0.532 10 0 DCAEMO COCC[N@H+]1CC[C@@H](NCc2cn(C)nc2Br)C1 ZINC000720660979 685314214 /nfs/dbraw/zinc/31/42/14/685314214.db2.gz PIHHWFVBDDSHNP-LLVKDONJSA-N 1 1 317.231 0.993 10 0 DCAEMO COCCN1CC[C@@H]([NH2+]Cc2cn(C)nc2Br)C1 ZINC000720660979 685314219 /nfs/dbraw/zinc/31/42/19/685314219.db2.gz PIHHWFVBDDSHNP-LLVKDONJSA-N 1 1 317.231 0.993 10 0 DCAEMO NC(=O)C[NH+]1CCC(Nc2ncncc2Br)CC1 ZINC000090780838 685103069 /nfs/dbraw/zinc/10/30/69/685103069.db2.gz OYRPJABSKTXZID-UHFFFAOYSA-N 1 1 314.187 0.601 10 0 DCAEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000195520243 685154990 /nfs/dbraw/zinc/15/49/90/685154990.db2.gz CVILHVFZRKVQDP-KGLIPLIRSA-N 1 1 321.425 0.725 10 0 DCAEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000195520243 685154994 /nfs/dbraw/zinc/15/49/94/685154994.db2.gz CVILHVFZRKVQDP-KGLIPLIRSA-N 1 1 321.425 0.725 10 0 DCAEMO Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3CNC(=O)C3)C2)nc(C)[nH+]1 ZINC000246268018 685163476 /nfs/dbraw/zinc/16/34/76/685163476.db2.gz QDQXMPUKNRNHAG-STQMWFEESA-N 1 1 318.377 0.742 10 0 DCAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876170 685167519 /nfs/dbraw/zinc/16/75/19/685167519.db2.gz DGIGRTCKXKADAG-DZGCQCFKSA-N 1 1 306.410 0.903 10 0 DCAEMO C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)N1CCc2ccccc21 ZINC000249525936 685181469 /nfs/dbraw/zinc/18/14/69/685181469.db2.gz YGNMVYDQAGCIPR-CABCVRRESA-N 1 1 317.433 0.963 10 0 DCAEMO C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)N1CCc2ccccc21 ZINC000249525936 685181476 /nfs/dbraw/zinc/18/14/76/685181476.db2.gz YGNMVYDQAGCIPR-CABCVRRESA-N 1 1 317.433 0.963 10 0 DCAEMO C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CN1Cc1ccccc1 ZINC000405097293 774149792 /nfs/dbraw/zinc/14/97/92/774149792.db2.gz TWDCWYRSRNMRFD-TZMCWYRMSA-N 1 1 309.435 0.541 10 0 DCAEMO Cc1ncc2n1CC[C@H](C(=O)N1CCO[C@H]3CC[N@H+](C)C[C@H]31)C2 ZINC000329747956 282178809 /nfs/dbraw/zinc/17/88/09/282178809.db2.gz ZRRAOWLAYKKWHV-IMJJTQAJSA-N 1 1 318.421 0.685 10 0 DCAEMO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000092594672 185328432 /nfs/dbraw/zinc/32/84/32/185328432.db2.gz IPNNIKQTZYFLEO-GFCCVEGCSA-N 1 1 321.402 0.719 10 0 DCAEMO Cn1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000092594672 185328433 /nfs/dbraw/zinc/32/84/33/185328433.db2.gz IPNNIKQTZYFLEO-GFCCVEGCSA-N 1 1 321.402 0.719 10 0 DCAEMO CNC(=O)CC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000186880391 529844284 /nfs/dbraw/zinc/84/42/84/529844284.db2.gz YRFGRQZJMOCWDZ-UHFFFAOYSA-N 1 1 318.421 0.403 10 0 DCAEMO CNC(=O)[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCOC)C(C)C ZINC000178450085 529897227 /nfs/dbraw/zinc/89/72/27/529897227.db2.gz BFLUAZKPINJHAR-STQMWFEESA-N 1 1 314.430 0.167 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC(=O)NC(C)C ZINC000175624850 186181252 /nfs/dbraw/zinc/18/12/52/186181252.db2.gz KDNCVMUHMGWXNS-ZDUSSCGKSA-N 1 1 307.398 0.890 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(F)c2)CC1 ZINC000177910762 186202820 /nfs/dbraw/zinc/20/28/20/186202820.db2.gz XYUOTVHJYNBXLI-AWEZNQCLSA-N 1 1 323.368 0.679 10 0 DCAEMO O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000171900008 198004211 /nfs/dbraw/zinc/00/42/11/198004211.db2.gz GSUUKTUWAMDUQJ-HNNXBMFYSA-N 1 1 316.405 0.906 10 0 DCAEMO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccccn1)c1ccco1 ZINC000172493709 198105219 /nfs/dbraw/zinc/10/52/19/198105219.db2.gz RMEJOHRXUGCJGF-ZDUSSCGKSA-N 1 1 316.361 0.824 10 0 DCAEMO Cc1[nH+]ccn1CCCCNC(=O)CNC(=O)c1ccccn1 ZINC000173022065 198177833 /nfs/dbraw/zinc/17/78/33/198177833.db2.gz JYXDQCXYOQAERX-UHFFFAOYSA-N 1 1 315.377 0.913 10 0 DCAEMO CCn1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1=O ZINC000173235940 198199033 /nfs/dbraw/zinc/19/90/33/198199033.db2.gz HJCNFANZLKDLAG-QWHCGFSZSA-N 1 1 322.409 0.787 10 0 DCAEMO COC(=O)Cn1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000173277498 198205335 /nfs/dbraw/zinc/20/53/35/198205335.db2.gz RQSAAFPVGVZEPE-GFCCVEGCSA-N 1 1 321.381 0.758 10 0 DCAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000174658829 198366926 /nfs/dbraw/zinc/36/69/26/198366926.db2.gz LFGOEGOWHVJFFX-KBPBESRZSA-N 1 1 306.410 0.940 10 0 DCAEMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000081433092 192264434 /nfs/dbraw/zinc/26/44/34/192264434.db2.gz BHVHIMTZFHLVAF-LLVKDONJSA-N 1 1 310.398 0.115 10 0 DCAEMO C[C@H]1C[C@H](C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000408118268 291103293 /nfs/dbraw/zinc/10/32/93/291103293.db2.gz PJKPKFMJSRXPOM-UONOGXRCSA-N 1 1 311.426 0.424 10 0 DCAEMO CNC(=O)C1(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000107283596 283282471 /nfs/dbraw/zinc/28/24/71/283282471.db2.gz FFNRLSYBGUMLOB-AWEZNQCLSA-N 1 1 322.453 0.141 10 0 DCAEMO NC(=O)c1ccc(NC(=O)CCCC[NH+]2CCOCC2)cn1 ZINC000179765106 199078101 /nfs/dbraw/zinc/07/81/01/199078101.db2.gz YRFMDXTYPKYOPH-UHFFFAOYSA-N 1 1 306.366 0.622 10 0 DCAEMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(C(N)=O)cn1C ZINC000186899651 200028857 /nfs/dbraw/zinc/02/88/57/200028857.db2.gz UDMGXLXVSGKODV-NSHDSACASA-N 1 1 322.409 0.041 10 0 DCAEMO COCCc1nsc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1 ZINC000176922022 237206463 /nfs/dbraw/zinc/20/64/63/237206463.db2.gz FYLJVGCJFPATSQ-LLVKDONJSA-N 1 1 300.428 0.884 10 0 DCAEMO COCCc1nsc(N2CC[N@H+](CCOC)[C@H](C)C2)n1 ZINC000176922022 237206470 /nfs/dbraw/zinc/20/64/70/237206470.db2.gz FYLJVGCJFPATSQ-LLVKDONJSA-N 1 1 300.428 0.884 10 0 DCAEMO O=C([C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1)N1CCOCC1 ZINC000185162819 237294978 /nfs/dbraw/zinc/29/49/78/237294978.db2.gz PJQCFQAXHZUGCW-QWRGUYRKSA-N 1 1 310.316 0.480 10 0 DCAEMO Cc1nc(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)nc1C ZINC000185327250 237299113 /nfs/dbraw/zinc/29/91/13/237299113.db2.gz UBQXCBCUZFCDAM-WDEREUQCSA-N 1 1 306.410 0.929 10 0 DCAEMO Cc1nc(C)c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)nc1C ZINC000185327250 237299119 /nfs/dbraw/zinc/29/91/19/237299119.db2.gz UBQXCBCUZFCDAM-WDEREUQCSA-N 1 1 306.410 0.929 10 0 DCAEMO Cc1nc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(=O)[nH]c1C ZINC000155873110 291222815 /nfs/dbraw/zinc/22/28/15/291222815.db2.gz UPGLHAQGGJEXOC-NSHDSACASA-N 1 1 321.425 0.000 10 0 DCAEMO COCCN1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1=O ZINC000091839557 193115888 /nfs/dbraw/zinc/11/58/88/193115888.db2.gz NLLXLSULAILQOV-UHFFFAOYSA-N 1 1 307.394 0.998 10 0 DCAEMO O=C(N[C@@H]1CCCn2ncnc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000176603880 284049161 /nfs/dbraw/zinc/04/91/61/284049161.db2.gz LWMSMZUOYBFPIJ-CHWSQXEVSA-N 1 1 304.398 0.993 10 0 DCAEMO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c(=O)n(C)c1=O ZINC000093768571 193304136 /nfs/dbraw/zinc/30/41/36/193304136.db2.gz IZECOZZRUBDEOS-CYBMUJFWSA-N 1 1 321.402 0.719 10 0 DCAEMO Cn1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c(=O)n(C)c1=O ZINC000093768571 193304137 /nfs/dbraw/zinc/30/41/37/193304137.db2.gz IZECOZZRUBDEOS-CYBMUJFWSA-N 1 1 321.402 0.719 10 0 DCAEMO NC(=O)c1cccc(CNC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000105131412 194077614 /nfs/dbraw/zinc/07/76/14/194077614.db2.gz OITXAGBVCKLMIV-UHFFFAOYSA-N 1 1 302.378 0.775 10 0 DCAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)NCCCOC)C[C@@H]1C ZINC000105835212 194142844 /nfs/dbraw/zinc/14/28/44/194142844.db2.gz KZFYWNKSQGJAAV-GJZGRUSLSA-N 1 1 315.458 0.570 10 0 DCAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NCCCOC)C[C@@H]1C ZINC000105835212 194142847 /nfs/dbraw/zinc/14/28/47/194142847.db2.gz KZFYWNKSQGJAAV-GJZGRUSLSA-N 1 1 315.458 0.570 10 0 DCAEMO CCNC(=O)NC(=O)CN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000105837510 194144032 /nfs/dbraw/zinc/14/40/32/194144032.db2.gz MQYQOUHTSSKUIS-ZDUSSCGKSA-N 1 1 314.430 0.265 10 0 DCAEMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](n3cncn3)C2)C1=O ZINC000105898821 194164504 /nfs/dbraw/zinc/16/45/04/194164504.db2.gz GLTKNYCZZFARNU-LBPRGKRZSA-N 1 1 320.397 0.636 10 0 DCAEMO COCC[N@H+]1CCN([C@@H](C)c2nc(N)nc(N(C)C)n2)C[C@@H]1C ZINC000106108669 194187049 /nfs/dbraw/zinc/18/70/49/194187049.db2.gz WHJKKWUZYWUGSZ-RYUDHWBXSA-N 1 1 323.445 0.233 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCCCCNC(C)=O)CC1 ZINC000106395240 194205384 /nfs/dbraw/zinc/20/53/84/194205384.db2.gz YLMBYPJVESDTPG-OAHLLOKOSA-N 1 1 313.442 0.598 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC000106393340 194206167 /nfs/dbraw/zinc/20/61/67/194206167.db2.gz FOUUDYOGLDJZSR-ZDUSSCGKSA-N 1 1 313.442 0.454 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000332832798 285033594 /nfs/dbraw/zinc/03/35/94/285033594.db2.gz VOZVKYUCXAUFRD-RYUDHWBXSA-N 1 1 314.386 0.043 10 0 DCAEMO O=C1NC2(CCCC2)C(=O)N1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172795033 296362562 /nfs/dbraw/zinc/36/25/62/296362562.db2.gz NZPKOFHUGURVRO-CYBMUJFWSA-N 1 1 306.410 0.631 10 0 DCAEMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]2OCC[C@@H]21 ZINC000248164553 257107499 /nfs/dbraw/zinc/10/74/99/257107499.db2.gz ZEBNYCYWKSLPNW-KFWWJZLASA-N 1 1 306.410 0.782 10 0 DCAEMO Cn1ccnc1CNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000248139957 257108219 /nfs/dbraw/zinc/10/82/19/257108219.db2.gz PVFYMTMKQDTJTF-MCIONIFRSA-N 1 1 304.394 0.678 10 0 DCAEMO CN1CCN(C(=O)[C@@H]2CC[C@H]3[C@H](CC[N@H+]3CC3CC3)O2)CC1 ZINC000248108228 257109340 /nfs/dbraw/zinc/10/93/40/257109340.db2.gz GKUUZUXIAGBEDR-JYJNAYRXSA-N 1 1 307.438 0.792 10 0 DCAEMO Cn1cc(C[N@H+]2C[C@@H]3OCC[C@@H]3[C@H](C(=O)N3CCCO3)C2)cn1 ZINC000248082532 257109515 /nfs/dbraw/zinc/10/95/15/257109515.db2.gz APHRITYXRGCUCA-KFWWJZLASA-N 1 1 320.393 0.421 10 0 DCAEMO COCC(=O)NC[C@@]12COC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000247858971 257116194 /nfs/dbraw/zinc/11/61/94/257116194.db2.gz VMOPLOUCJHNTKQ-GOEBONIOSA-N 1 1 305.378 0.293 10 0 DCAEMO Cc1cc(C(=O)N2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)on1 ZINC000253600050 257104642 /nfs/dbraw/zinc/10/46/42/257104642.db2.gz DCQWPUWFLRGOOX-XJKSGUPXSA-N 1 1 321.377 0.404 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)NS(C)(=O)=O)[C@H](C)C1 ZINC000408272295 285393833 /nfs/dbraw/zinc/39/38/33/285393833.db2.gz BKFIYCPVMTUKKD-WOPDTQHZSA-N 1 1 305.444 0.113 10 0 DCAEMO COc1ccc(CNC(=O)CN2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000187713432 533580957 /nfs/dbraw/zinc/58/09/57/533580957.db2.gz HOWOKCOWCYYWTE-AWEZNQCLSA-N 1 1 321.421 0.310 10 0 DCAEMO COc1ccc(CNC(=O)CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000187713432 533580961 /nfs/dbraw/zinc/58/09/61/533580961.db2.gz HOWOKCOWCYYWTE-AWEZNQCLSA-N 1 1 321.421 0.310 10 0 DCAEMO Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000275711235 130368649 /nfs/dbraw/zinc/36/86/49/130368649.db2.gz KXQYCCOHSTUTCT-ZDUSSCGKSA-N 1 1 305.378 0.559 10 0 DCAEMO Cn1ncc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C1CC1 ZINC000285082239 131136961 /nfs/dbraw/zinc/13/69/61/131136961.db2.gz DBSCBWJUHZQKRR-UONOGXRCSA-N 1 1 304.394 0.843 10 0 DCAEMO CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000369549357 131138102 /nfs/dbraw/zinc/13/81/02/131138102.db2.gz IETQQBABKTYWBE-MRXNPFEDSA-N 1 1 312.410 0.505 10 0 DCAEMO CCNC(=O)C[N@@H+](CC)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085784726 395701981 /nfs/dbraw/zinc/70/19/81/395701981.db2.gz ZAFJBMFFUVSNTG-GFCCVEGCSA-N 1 1 305.444 0.116 10 0 DCAEMO COCCCOCC[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000091102276 395721453 /nfs/dbraw/zinc/72/14/53/395721453.db2.gz TYLOXTQDQZPHIC-AWEZNQCLSA-N 1 1 324.425 0.819 10 0 DCAEMO COCCCOCC[N@@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000091102276 395721455 /nfs/dbraw/zinc/72/14/55/395721455.db2.gz TYLOXTQDQZPHIC-AWEZNQCLSA-N 1 1 324.425 0.819 10 0 DCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000193954497 395783548 /nfs/dbraw/zinc/78/35/48/395783548.db2.gz YJLFBZRZICRWGN-GRYCIOLGSA-N 1 1 305.444 0.207 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@@H](C)C1 ZINC000194023645 395786491 /nfs/dbraw/zinc/78/64/91/395786491.db2.gz MBCHMIQEYVMXPY-NWDGAFQWSA-N 1 1 308.382 0.304 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cn2)CC1 ZINC000194120411 395788688 /nfs/dbraw/zinc/78/86/88/395788688.db2.gz GOPWDDPIZZWUOL-GFCCVEGCSA-N 1 1 324.356 0.074 10 0 DCAEMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774924 /nfs/dbraw/zinc/77/49/24/395774924.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 1 1 316.405 0.608 10 0 DCAEMO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774927 /nfs/dbraw/zinc/77/49/27/395774927.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 1 1 316.405 0.608 10 0 DCAEMO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC000193620274 395774929 /nfs/dbraw/zinc/77/49/29/395774929.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 1 1 316.405 0.608 10 0 DCAEMO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]2C1 ZINC000193620274 395774932 /nfs/dbraw/zinc/77/49/32/395774932.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 1 1 316.405 0.608 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000194745310 395806615 /nfs/dbraw/zinc/80/66/15/395806615.db2.gz QWBHAEZWEHJZIV-AWEZNQCLSA-N 1 1 322.409 0.864 10 0 DCAEMO O=C([C@H]1CNC(=O)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000194863947 395810077 /nfs/dbraw/zinc/81/00/77/395810077.db2.gz PAFLBEANYLAMHP-CQSZACIVSA-N 1 1 319.380 0.996 10 0 DCAEMO O=C([C@H]1CNC(=O)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000194863947 395810080 /nfs/dbraw/zinc/81/00/80/395810080.db2.gz PAFLBEANYLAMHP-CQSZACIVSA-N 1 1 319.380 0.996 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnccc2OC)C1 ZINC000195047704 395814378 /nfs/dbraw/zinc/81/43/78/395814378.db2.gz ZACIDZQTMKGELD-LLVKDONJSA-N 1 1 306.366 0.629 10 0 DCAEMO Cc1ccc2ncc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c(=O)n2c1 ZINC000195328662 395824911 /nfs/dbraw/zinc/82/49/11/395824911.db2.gz VHNULEKXOBINHU-ZDUSSCGKSA-N 1 1 312.373 0.923 10 0 DCAEMO C[C@@H](NC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1)C(=O)N(C)C ZINC000195507229 395830165 /nfs/dbraw/zinc/83/01/65/395830165.db2.gz IGVQQYOQGQEADI-LLVKDONJSA-N 1 1 307.398 0.182 10 0 DCAEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N3CCNC3=O)C2)no1 ZINC000195517848 395830216 /nfs/dbraw/zinc/83/02/16/395830216.db2.gz NVFDVVFLWGPPEX-NSHDSACASA-N 1 1 307.354 0.184 10 0 DCAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCNC3=O)C2)no1 ZINC000195517848 395830220 /nfs/dbraw/zinc/83/02/20/395830220.db2.gz NVFDVVFLWGPPEX-NSHDSACASA-N 1 1 307.354 0.184 10 0 DCAEMO COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1C ZINC000194399751 395795742 /nfs/dbraw/zinc/79/57/42/395795742.db2.gz DEMAGWLPHCZUBF-MCIONIFRSA-N 1 1 311.426 0.613 10 0 DCAEMO CC(C)(CNC(=O)[C@@H]1COCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000236676644 395895966 /nfs/dbraw/zinc/89/59/66/395895966.db2.gz KFJFFSIAOMOEJV-ZDUSSCGKSA-N 1 1 320.389 0.840 10 0 DCAEMO NC(=O)NCc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000124859756 395901303 /nfs/dbraw/zinc/90/13/03/395901303.db2.gz USOGRKYJHGWJJY-UHFFFAOYSA-N 1 1 302.378 0.775 10 0 DCAEMO Cn1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1=O ZINC000125561129 395903995 /nfs/dbraw/zinc/90/39/95/395903995.db2.gz PXMKSEVMDLEFCO-GFCCVEGCSA-N 1 1 318.377 0.021 10 0 DCAEMO Cn1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1=O ZINC000125561129 395903998 /nfs/dbraw/zinc/90/39/98/395903998.db2.gz PXMKSEVMDLEFCO-GFCCVEGCSA-N 1 1 318.377 0.021 10 0 DCAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000238131818 395922271 /nfs/dbraw/zinc/92/22/71/395922271.db2.gz HRMYWUPUZOBLAR-CVEARBPZSA-N 1 1 303.406 0.756 10 0 DCAEMO Cn1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245724033 395935456 /nfs/dbraw/zinc/93/54/56/395935456.db2.gz ILUIPQCNEALCSH-CHWSQXEVSA-N 1 1 309.435 0.944 10 0 DCAEMO COC(=O)Cn1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000245740710 395935478 /nfs/dbraw/zinc/93/54/78/395935478.db2.gz GEAVVZQGYWTVOP-RYUDHWBXSA-N 1 1 321.381 0.757 10 0 DCAEMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000245874086 395937765 /nfs/dbraw/zinc/93/77/65/395937765.db2.gz XFJHNRXAZUTOKU-HOTGVXAUSA-N 1 1 315.417 0.803 10 0 DCAEMO C[C@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1N1CCOCC1 ZINC000246283743 395946323 /nfs/dbraw/zinc/94/63/23/395946323.db2.gz APEUGZXHFJNKIM-HOTGVXAUSA-N 1 1 309.454 0.897 10 0 DCAEMO COCC[N@H+](CCO)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246355228 395947938 /nfs/dbraw/zinc/94/79/38/395947938.db2.gz DORFUWAHHKGUCQ-ZIAGYGMSSA-N 1 1 300.399 0.097 10 0 DCAEMO COCC[N@@H+](CCO)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246355228 395947939 /nfs/dbraw/zinc/94/79/39/395947939.db2.gz DORFUWAHHKGUCQ-ZIAGYGMSSA-N 1 1 300.399 0.097 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000246405549 395948742 /nfs/dbraw/zinc/94/87/42/395948742.db2.gz QCTDNENMSFCNHO-OLZOCXBDSA-N 1 1 319.471 0.935 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000246479005 395950563 /nfs/dbraw/zinc/95/05/63/395950563.db2.gz LEKKDJCUDCZQSW-CHWSQXEVSA-N 1 1 322.413 0.680 10 0 DCAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000246479005 395950567 /nfs/dbraw/zinc/95/05/67/395950567.db2.gz LEKKDJCUDCZQSW-CHWSQXEVSA-N 1 1 322.413 0.680 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000246479005 395950569 /nfs/dbraw/zinc/95/05/69/395950569.db2.gz LEKKDJCUDCZQSW-CHWSQXEVSA-N 1 1 322.413 0.680 10 0 DCAEMO CC1(C)COCCN1CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246514101 395951371 /nfs/dbraw/zinc/95/13/71/395951371.db2.gz UXIJHCUAXCUIRS-HNNXBMFYSA-N 1 1 324.469 0.977 10 0 DCAEMO C[C@H]([C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CCOCC1 ZINC000246525593 395952123 /nfs/dbraw/zinc/95/21/23/395952123.db2.gz WDRDRAYDKFLYEI-XHSDSOJGSA-N 1 1 324.469 0.975 10 0 DCAEMO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246591695 395953364 /nfs/dbraw/zinc/95/33/64/395953364.db2.gz RKWBGYGQPHJASQ-OLZOCXBDSA-N 1 1 309.414 0.280 10 0 DCAEMO CCOCCO[C@H](C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246801874 395957723 /nfs/dbraw/zinc/95/77/23/395957723.db2.gz RGNKXMPFLMVFLC-BFHYXJOUSA-N 1 1 302.415 0.342 10 0 DCAEMO CCOCCO[C@H](C)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246801874 395957727 /nfs/dbraw/zinc/95/77/27/395957727.db2.gz RGNKXMPFLMVFLC-BFHYXJOUSA-N 1 1 302.415 0.342 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000060416557 395961918 /nfs/dbraw/zinc/96/19/18/395961918.db2.gz FSRKDVRPVOACAC-KBPBESRZSA-N 1 1 321.425 0.503 10 0 DCAEMO NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC000246941214 395962188 /nfs/dbraw/zinc/96/21/88/395962188.db2.gz WVBUTTAIEOPBRV-MCIONIFRSA-N 1 1 309.410 0.211 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NCc1ccco1 ZINC000247100332 395966586 /nfs/dbraw/zinc/96/65/86/395966586.db2.gz IJOYBSMFCKRICR-OLZOCXBDSA-N 1 1 320.393 0.774 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccnc1 ZINC000247135930 395967848 /nfs/dbraw/zinc/96/78/48/395967848.db2.gz VWWDQOHBVWXFBK-JSGCOSHPSA-N 1 1 302.378 0.507 10 0 DCAEMO O[C@H](COc1ccccc1F)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247180046 395968552 /nfs/dbraw/zinc/96/85/52/395968552.db2.gz RVSLWFUXUCWMGL-CABCVRRESA-N 1 1 324.396 0.972 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CCOCC1 ZINC000247239552 395969924 /nfs/dbraw/zinc/96/99/24/395969924.db2.gz MZPNCPKKVHGYLP-KBPBESRZSA-N 1 1 324.425 0.113 10 0 DCAEMO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H](O)COC(C)C)CCO2)n1 ZINC000247253850 395970967 /nfs/dbraw/zinc/97/09/67/395970967.db2.gz UEABOIAKWCWSGY-CVEARBPZSA-N 1 1 311.426 0.987 10 0 DCAEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@@H](O)COC(C)C)CCO2)n1 ZINC000247253850 395970971 /nfs/dbraw/zinc/97/09/71/395970971.db2.gz UEABOIAKWCWSGY-CVEARBPZSA-N 1 1 311.426 0.987 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000247376256 395972766 /nfs/dbraw/zinc/97/27/66/395972766.db2.gz STEDORGQEXYIRA-UPJWGTAASA-N 1 1 317.455 0.244 10 0 DCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000247563472 395976430 /nfs/dbraw/zinc/97/64/30/395976430.db2.gz VDUGDZXEORCJSO-HZSPNIEDSA-N 1 1 306.410 0.845 10 0 DCAEMO CNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247559117 395976693 /nfs/dbraw/zinc/97/66/93/395976693.db2.gz UOEJBRLDUHVTSO-GXTWGEPZSA-N 1 1 319.409 0.337 10 0 DCAEMO C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccccn3)CC[C@H]21 ZINC000247981329 395981281 /nfs/dbraw/zinc/98/12/81/395981281.db2.gz IJZCPBSTRISNRI-DZGCQCFKSA-N 1 1 316.405 0.754 10 0 DCAEMO C[N@H+]1CC[C@H](NC(=O)NC[C@]2(O)CCOC2)[C@H]1c1ccccc1 ZINC000248139932 395983782 /nfs/dbraw/zinc/98/37/82/395983782.db2.gz YGCGVOBBOJBXHV-ZMSDIMECSA-N 1 1 319.405 0.882 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)[C@H](C)C1 ZINC000248733559 395996224 /nfs/dbraw/zinc/99/62/24/395996224.db2.gz MBCHMIQEYVMXPY-NEPJUHHUSA-N 1 1 308.382 0.304 10 0 DCAEMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC(CO)C2)[C@@H](C)C1 ZINC000253282106 396025516 /nfs/dbraw/zinc/02/55/16/396025516.db2.gz ZCQLFXMFISWZAE-ZFWWWQNUSA-N 1 1 313.442 0.757 10 0 DCAEMO COC(=O)c1coc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000253354308 396026503 /nfs/dbraw/zinc/02/65/03/396026503.db2.gz WJQKZIFYIQPDOB-QWRGUYRKSA-N 1 1 310.350 0.593 10 0 DCAEMO COC(=O)c1coc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000253354308 396026504 /nfs/dbraw/zinc/02/65/04/396026504.db2.gz WJQKZIFYIQPDOB-QWRGUYRKSA-N 1 1 310.350 0.593 10 0 DCAEMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000154008488 396029146 /nfs/dbraw/zinc/02/91/46/396029146.db2.gz KDFCOGSRWIGUFU-JTQLQIEISA-N 1 1 320.315 0.776 10 0 DCAEMO CC[N@H+]1CCO[C@H](C(=O)NCc2cn(C)nc2C(F)(F)F)C1 ZINC000154008488 396029147 /nfs/dbraw/zinc/02/91/47/396029147.db2.gz KDFCOGSRWIGUFU-JTQLQIEISA-N 1 1 320.315 0.776 10 0 DCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(-n2cnnn2)c1 ZINC000155337784 396049187 /nfs/dbraw/zinc/04/91/87/396049187.db2.gz IJVMEYJSINNBNU-TXEJJXNPSA-N 1 1 300.366 0.827 10 0 DCAEMO CCN1CCN(CC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000261652390 396052579 /nfs/dbraw/zinc/05/25/79/396052579.db2.gz DHCUJRIXSZMHRM-UHFFFAOYSA-N 1 1 318.465 0.654 10 0 DCAEMO CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000249212570 396004771 /nfs/dbraw/zinc/00/47/71/396004771.db2.gz SRHSAFATBNIJSN-YPMHNXCESA-N 1 1 305.382 0.537 10 0 DCAEMO CSCCCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152397831 396008300 /nfs/dbraw/zinc/00/83/00/396008300.db2.gz JXBSUOWNNABBQT-CYBMUJFWSA-N 1 1 313.467 0.895 10 0 DCAEMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H](CO)CC(C)C)C1 ZINC000249449055 396008387 /nfs/dbraw/zinc/00/83/87/396008387.db2.gz NYGQPNSZTPDAMG-CABCVRRESA-N 1 1 313.442 0.452 10 0 DCAEMO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC[N@@H+]1CCO ZINC000249955209 396013824 /nfs/dbraw/zinc/01/38/24/396013824.db2.gz JDNRUWUPDVQUHY-IAQYHMDHSA-N 1 1 308.353 0.654 10 0 DCAEMO C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)CC[N@H+]1CCO ZINC000249955209 396013825 /nfs/dbraw/zinc/01/38/25/396013825.db2.gz JDNRUWUPDVQUHY-IAQYHMDHSA-N 1 1 308.353 0.654 10 0 DCAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CNC(=O)C1 ZINC000252444674 396020081 /nfs/dbraw/zinc/02/00/81/396020081.db2.gz ZQARRIDMQMARFW-UMVBOHGHSA-N 1 1 316.405 0.544 10 0 DCAEMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000067118752 396020616 /nfs/dbraw/zinc/02/06/16/396020616.db2.gz MRURWKZLZGICPU-RWMBFGLXSA-N 1 1 307.460 0.660 10 0 DCAEMO NC(=O)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cn1 ZINC000262021236 396090904 /nfs/dbraw/zinc/09/09/04/396090904.db2.gz ROLRSQROKJXUIQ-AWEZNQCLSA-N 1 1 311.345 0.362 10 0 DCAEMO Cc1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)on1 ZINC000175731468 396141451 /nfs/dbraw/zinc/14/14/51/396141451.db2.gz KBRJNQPOFMTYLY-FZMZJTMJSA-N 1 1 308.382 0.845 10 0 DCAEMO 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C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCn2ccnn2)C1 ZINC000182462782 529808569 /nfs/dbraw/zinc/80/85/69/529808569.db2.gz KLSHFVUUQLSAGG-KGLIPLIRSA-N 1 1 306.414 0.794 10 0 DCAEMO C[C@H]1C[C@H](N(C)C(=O)NCCNC(=O)c2ccn[nH]2)CC[N@H+]1C ZINC000181859580 199363570 /nfs/dbraw/zinc/36/35/70/199363570.db2.gz PVVHQWMTAOYBKP-NWDGAFQWSA-N 1 1 322.413 0.264 10 0 DCAEMO COC[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCO1 ZINC000279794167 215152624 /nfs/dbraw/zinc/15/26/24/215152624.db2.gz VXDRUHBQYAIZCB-IHRRRGAJSA-N 1 1 322.409 0.939 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)N1CCCC[C@@H]1C ZINC000076669714 545677083 /nfs/dbraw/zinc/67/70/83/545677083.db2.gz SXLZEUVCOLTCOK-KBPBESRZSA-N 1 1 319.471 0.806 10 0 DCAEMO NC(=O)c1ccc(OCCC[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072161879 191062103 /nfs/dbraw/zinc/06/21/03/191062103.db2.gz VIJSIWCGMWORPE-QGZVFWFLSA-N 1 1 322.405 0.764 10 0 DCAEMO NC(=O)c1cccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171901032 198004376 /nfs/dbraw/zinc/00/43/76/198004376.db2.gz 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ZINC000190644875 396409530 /nfs/dbraw/zinc/40/95/30/396409530.db2.gz CMPVFWHDBOIPGS-CQSZACIVSA-N 1 1 323.441 0.240 10 0 DCAEMO CCc1n[nH]c(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)n1 ZINC000190704109 396410357 /nfs/dbraw/zinc/41/03/57/396410357.db2.gz GXYLMGGESBXDEL-UHFFFAOYSA-N 1 1 321.425 0.795 10 0 DCAEMO CCc1nc(C2CC[NH+](CCC(=O)N3CCOCC3)CC2)n[nH]1 ZINC000190704109 396410359 /nfs/dbraw/zinc/41/03/59/396410359.db2.gz GXYLMGGESBXDEL-UHFFFAOYSA-N 1 1 321.425 0.795 10 0 DCAEMO COCCN1CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000190807927 396411908 /nfs/dbraw/zinc/41/19/08/396411908.db2.gz RUOMXFSHGFRIGZ-RDJZCZTQSA-N 1 1 304.390 0.825 10 0 DCAEMO COCCN1CCC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000190807927 396411911 /nfs/dbraw/zinc/41/19/11/396411911.db2.gz RUOMXFSHGFRIGZ-RDJZCZTQSA-N 1 1 304.390 0.825 10 0 DCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3ncccn3)CC2)C1 ZINC000192002324 396427969 /nfs/dbraw/zinc/42/79/69/396427969.db2.gz OBXSNOPYFWNIAY-INIZCTEOSA-N 1 1 319.453 0.703 10 0 DCAEMO 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O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375236284 396720268 /nfs/dbraw/zinc/72/02/68/396720268.db2.gz FOFXBYWYTHQNAT-ZDUSSCGKSA-N 1 1 315.373 0.299 10 0 DCAEMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000375236284 396720269 /nfs/dbraw/zinc/72/02/69/396720269.db2.gz FOFXBYWYTHQNAT-ZDUSSCGKSA-N 1 1 315.373 0.299 10 0 DCAEMO c1nc(N2CCOCC2)cc(N2CCC[N@H+](C3CC3)CC2)n1 ZINC000302916634 396724421 /nfs/dbraw/zinc/72/44/21/396724421.db2.gz WHFOOZQQKKGLAP-UHFFFAOYSA-N 1 1 303.410 0.988 10 0 DCAEMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1(O)CCC1 ZINC000304297820 396729044 /nfs/dbraw/zinc/72/90/44/396729044.db2.gz NPQMKOBCEOOWNO-UHFFFAOYSA-N 1 1 317.433 0.835 10 0 DCAEMO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465593 396752611 /nfs/dbraw/zinc/75/26/11/396752611.db2.gz OUKBJOHNNXMVPT-LLVKDONJSA-N 1 1 322.365 0.416 10 0 DCAEMO COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465593 396752618 /nfs/dbraw/zinc/75/26/18/396752618.db2.gz 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397301226 /nfs/dbraw/zinc/30/12/26/397301226.db2.gz YMEDRIAEMFXSFN-OAHLLOKOSA-N 1 1 307.442 0.556 10 0 DCAEMO C[C@@H](CNC(=O)N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000407968189 397340948 /nfs/dbraw/zinc/34/09/48/397340948.db2.gz FOBHQHBMZTWVCO-RDBSUJKOSA-N 1 1 310.442 0.979 10 0 DCAEMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992964 397343801 /nfs/dbraw/zinc/34/38/01/397343801.db2.gz KELQERNVUZDBMT-MCIONIFRSA-N 1 1 320.455 0.536 10 0 DCAEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC000407992964 397343804 /nfs/dbraw/zinc/34/38/04/397343804.db2.gz KELQERNVUZDBMT-MCIONIFRSA-N 1 1 320.455 0.536 10 0 DCAEMO COC(=O)C(C)(C)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000602443246 397402726 /nfs/dbraw/zinc/40/27/26/397402726.db2.gz BKBQJHPPTPOPQO-CYBMUJFWSA-N 1 1 307.394 0.514 10 0 DCAEMO COC(=O)C(C)(C)NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000602443246 397402730 /nfs/dbraw/zinc/40/27/30/397402730.db2.gz BKBQJHPPTPOPQO-CYBMUJFWSA-N 1 1 307.394 0.514 10 0 DCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000579457898 397568599 /nfs/dbraw/zinc/56/85/99/397568599.db2.gz JYRSQPCYWROUAG-QLFBSQMISA-N 1 1 323.437 0.614 10 0 DCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000579457898 397568602 /nfs/dbraw/zinc/56/86/02/397568602.db2.gz JYRSQPCYWROUAG-QLFBSQMISA-N 1 1 323.437 0.614 10 0 DCAEMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000602958585 397533645 /nfs/dbraw/zinc/53/36/45/397533645.db2.gz BOUWRXUXQIEOPA-KGLIPLIRSA-N 1 1 300.399 0.097 10 0 DCAEMO C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CC[S@](=O)C1 ZINC000579791045 397592736 /nfs/dbraw/zinc/59/27/36/397592736.db2.gz XWPKLHVARCCCLZ-HFUQMLBGSA-N 1 1 305.440 0.243 10 0 DCAEMO C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CC[S@](=O)C1 ZINC000579791045 397592737 /nfs/dbraw/zinc/59/27/37/397592737.db2.gz XWPKLHVARCCCLZ-HFUQMLBGSA-N 1 1 305.440 0.243 10 0 DCAEMO CCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371514 397637924 /nfs/dbraw/zinc/63/79/24/397637924.db2.gz UHKCQZREPPQCNO-CYBMUJFWSA-N 1 1 321.425 0.108 10 0 DCAEMO NC(=O)C[C@@H]1CCCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000607728153 397705097 /nfs/dbraw/zinc/70/50/97/397705097.db2.gz JZKIYKMVVRUZNV-LBPRGKRZSA-N 1 1 322.409 0.581 10 0 DCAEMO C[C@@H]1C[N@@H+](C[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000066482039 158036169 /nfs/dbraw/zinc/03/61/69/158036169.db2.gz GJFXZWQEEKGANL-MJBXVCDLSA-N 1 1 324.421 0.776 10 0 DCAEMO C[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000066482039 158036172 /nfs/dbraw/zinc/03/61/72/158036172.db2.gz GJFXZWQEEKGANL-MJBXVCDLSA-N 1 1 324.421 0.776 10 0 DCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)NCCn3ccnc3)CC2)CCO1 ZINC000079573613 158078341 /nfs/dbraw/zinc/07/83/41/158078341.db2.gz ROQPUHCAQNHDOM-CQSZACIVSA-N 1 1 321.425 0.778 10 0 DCAEMO NC(=O)C[C@@H]([NH3+])C(=O)Nc1cc(Br)ccc1O ZINC000094573752 158122217 /nfs/dbraw/zinc/12/22/17/158122217.db2.gz IKYNYHAKIUCOBG-ZCFIWIBFSA-N 1 1 302.128 0.296 10 0 DCAEMO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000097174560 158125863 /nfs/dbraw/zinc/12/58/63/158125863.db2.gz DEILFHYHIBLOID-HUUCEWRRSA-N 1 1 312.458 0.738 10 0 DCAEMO CNC(=O)C1(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000106284291 158133201 /nfs/dbraw/zinc/13/32/01/158133201.db2.gz QXXXAXODGUNFEH-GFCCVEGCSA-N 1 1 309.410 0.224 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1C(=O)NC(C)(C)C1=O ZINC000113233615 158145559 /nfs/dbraw/zinc/14/55/59/158145559.db2.gz MJJTVCBEMDMTOT-WDEREUQCSA-N 1 1 308.382 0.012 10 0 DCAEMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[C@@H](C)O)CC1 ZINC000114823129 158157665 /nfs/dbraw/zinc/15/76/65/158157665.db2.gz IAHDKELYMAQWRT-GFCCVEGCSA-N 1 1 314.430 0.047 10 0 DCAEMO CN1CC[C@H]([N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)C1=O ZINC000116278293 158164410 /nfs/dbraw/zinc/16/44/10/158164410.db2.gz IZSBJHPRKKLPAM-ZDUSSCGKSA-N 1 1 319.409 0.685 10 0 DCAEMO CN1CC[C@H]([N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)C1=O ZINC000116278293 158164414 /nfs/dbraw/zinc/16/44/14/158164414.db2.gz 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C[C@@H]1C[C@H](N(C)CC(=O)NCCCN2CCCC2=O)CC[N@H+]1C ZINC000123696366 158233115 /nfs/dbraw/zinc/23/31/15/158233115.db2.gz IYVLZTUWAXLFMM-HUUCEWRRSA-N 1 1 324.469 0.530 10 0 DCAEMO CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000124190884 158240022 /nfs/dbraw/zinc/24/00/22/158240022.db2.gz QIZNTKTZLYAIJV-HSMVNMDESA-N 1 1 324.425 0.648 10 0 DCAEMO CC[C@@H]1CN(C(=O)CCCC(=O)OC)CC[N@H+]1C[C@@H](C)O ZINC000131614818 158304287 /nfs/dbraw/zinc/30/42/87/158304287.db2.gz UWYIXUBWYAZTPY-CHWSQXEVSA-N 1 1 300.399 0.633 10 0 DCAEMO COc1cccc(N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000132013518 158306949 /nfs/dbraw/zinc/30/69/49/158306949.db2.gz AUYJPCJCOSXMQI-HNNXBMFYSA-N 1 1 305.378 0.332 10 0 DCAEMO CCc1nnc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000158474152 158352913 /nfs/dbraw/zinc/35/29/13/158352913.db2.gz KGTHPJHWBFBYEM-CQSZACIVSA-N 1 1 306.458 0.969 10 0 DCAEMO CCc1nc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n[nH]1 ZINC000158474152 158352916 /nfs/dbraw/zinc/35/29/16/158352916.db2.gz KGTHPJHWBFBYEM-CQSZACIVSA-N 1 1 306.458 0.969 10 0 DCAEMO CCc1nc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n[nH]1 ZINC000158474152 158352918 /nfs/dbraw/zinc/35/29/18/158352918.db2.gz KGTHPJHWBFBYEM-CQSZACIVSA-N 1 1 306.458 0.969 10 0 DCAEMO O=C(CCn1ccnn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000171865993 158387450 /nfs/dbraw/zinc/38/74/50/158387450.db2.gz STUMEDOIBFYYPN-CQSZACIVSA-N 1 1 307.398 0.382 10 0 DCAEMO O=C(CCn1ccnn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000171865995 158387536 /nfs/dbraw/zinc/38/75/36/158387536.db2.gz STUMEDOIBFYYPN-AWEZNQCLSA-N 1 1 307.398 0.382 10 0 DCAEMO Cc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nc(C)n1 ZINC000328703371 159022357 /nfs/dbraw/zinc/02/23/57/159022357.db2.gz KDBKMFAJSUWCRP-UHFFFAOYSA-N 1 1 305.426 0.849 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)N3CCC[C@@H](C(N)=O)C3)[C@H]2C1 ZINC000328920480 159041572 /nfs/dbraw/zinc/04/15/72/159041572.db2.gz BCLSVFIZCLENTK-RDBSUJKOSA-N 1 1 324.425 0.165 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3n[nH]nc3C2)[N@@H+](C)C1 ZINC000329104815 159062149 /nfs/dbraw/zinc/06/21/49/159062149.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 1 307.398 0.087 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)[N@H+](C)C1 ZINC000329104815 159062152 /nfs/dbraw/zinc/06/21/52/159062152.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 1 307.398 0.087 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3[nH]nnc3C2)[N@@H+](C)C1 ZINC000329104815 159062156 /nfs/dbraw/zinc/06/21/56/159062156.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 1 307.398 0.087 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)[N@H+](C)C1 ZINC000329104815 159062158 /nfs/dbraw/zinc/06/21/58/159062158.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 1 307.398 0.087 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)[N@@H+](C)C1 ZINC000329104815 159062162 /nfs/dbraw/zinc/06/21/62/159062162.db2.gz DPHCNCWPFDLLIH-WOPDTQHZSA-N 1 1 307.398 0.087 10 0 DCAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cnn3ccncc23)C[C@H](C)O1 ZINC000329321359 159082510 /nfs/dbraw/zinc/08/25/10/159082510.db2.gz JDBAJAQPWIGRMG-BETUJISGSA-N 1 1 317.393 0.911 10 0 DCAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cnn3ccncc23)C[C@H](C)O1 ZINC000329321359 159082512 /nfs/dbraw/zinc/08/25/12/159082512.db2.gz JDBAJAQPWIGRMG-BETUJISGSA-N 1 1 317.393 0.911 10 0 DCAEMO O=S(=O)(NC1CCCC1)C1C[NH+](CC2CCOCC2)C1 ZINC000329331781 159083020 /nfs/dbraw/zinc/08/30/20/159083020.db2.gz ZRVMTIOIXSUBED-UHFFFAOYSA-N 1 1 302.440 0.959 10 0 DCAEMO CO[C@@]1(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCOC1 ZINC000329945227 159131543 /nfs/dbraw/zinc/13/15/43/159131543.db2.gz IWDXZMFXZHHVEC-CJNGLKHVSA-N 1 1 312.410 0.504 10 0 DCAEMO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000330005386 159135483 /nfs/dbraw/zinc/13/54/83/159135483.db2.gz BWJQAZAIZHGPFX-LSDHHAIUSA-N 1 1 314.389 0.701 10 0 DCAEMO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000330005386 159135485 /nfs/dbraw/zinc/13/54/85/159135485.db2.gz BWJQAZAIZHGPFX-LSDHHAIUSA-N 1 1 314.389 0.701 10 0 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/nfs/dbraw/zinc/00/28/12/160002812.db2.gz XEHUCQGFCBNAQK-HOCLYGCPSA-N 1 1 317.437 0.814 10 0 DCAEMO Cc1cc([C@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)n[nH]1 ZINC000407982092 160002813 /nfs/dbraw/zinc/00/28/13/160002813.db2.gz XEHUCQGFCBNAQK-HOCLYGCPSA-N 1 1 317.437 0.814 10 0 DCAEMO Cc1cc([C@H]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)n[nH]1 ZINC000407982092 160002814 /nfs/dbraw/zinc/00/28/14/160002814.db2.gz XEHUCQGFCBNAQK-HOCLYGCPSA-N 1 1 317.437 0.814 10 0 DCAEMO CCCCN(C)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408027777 160015870 /nfs/dbraw/zinc/01/58/70/160015870.db2.gz MORAIXGEXJYRBK-QWHCGFSZSA-N 1 1 305.444 0.368 10 0 DCAEMO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408034108 160017715 /nfs/dbraw/zinc/01/77/15/160017715.db2.gz QZUFMHMKIRJOLS-PMPSAXMXSA-N 1 1 317.437 0.873 10 0 DCAEMO C[C@@H]1CCCCN1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000408096519 160034943 /nfs/dbraw/zinc/03/49/43/160034943.db2.gz DJVJYEYKHNQIPT-CYBMUJFWSA-N 1 1 319.471 0.494 10 0 DCAEMO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000408111629 160038199 /nfs/dbraw/zinc/03/81/99/160038199.db2.gz DLVQKXHSHIZYNZ-OLZOCXBDSA-N 1 1 317.455 0.211 10 0 DCAEMO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000408111629 160038200 /nfs/dbraw/zinc/03/82/00/160038200.db2.gz DLVQKXHSHIZYNZ-OLZOCXBDSA-N 1 1 317.455 0.211 10 0 DCAEMO Cc1cc(C)n2nc(CC(=O)N3CC[N@@H+](C)C[C@@H]3C)nc2n1 ZINC000408113781 160039139 /nfs/dbraw/zinc/03/91/39/160039139.db2.gz UQGXIDUHNFWOMT-LBPRGKRZSA-N 1 1 302.382 0.446 10 0 DCAEMO Cc1cc(C)n2nc(CC(=O)N3CC[N@H+](C)C[C@@H]3C)nc2n1 ZINC000408113781 160039140 /nfs/dbraw/zinc/03/91/40/160039140.db2.gz UQGXIDUHNFWOMT-LBPRGKRZSA-N 1 1 302.382 0.446 10 0 DCAEMO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408114922 160039559 /nfs/dbraw/zinc/03/95/59/160039559.db2.gz ZWPISLATZCTRAA-LLVKDONJSA-N 1 1 304.394 0.868 10 0 DCAEMO Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408114922 160039561 /nfs/dbraw/zinc/03/95/61/160039561.db2.gz ZWPISLATZCTRAA-LLVKDONJSA-N 1 1 304.394 0.868 10 0 DCAEMO CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000408214680 160061442 /nfs/dbraw/zinc/06/14/42/160061442.db2.gz OQMKKEZZXFFUSX-KGLIPLIRSA-N 1 1 319.471 0.063 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)N1CCOCC1 ZINC000408231288 160064680 /nfs/dbraw/zinc/06/46/80/160064680.db2.gz HBHAIYBDNCGGIS-ZDUSSCGKSA-N 1 1 314.411 0.233 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000408242321 160067684 /nfs/dbraw/zinc/06/76/84/160067684.db2.gz SHSJGAMPSNYJII-MNOVXSKESA-N 1 1 305.382 0.557 10 0 DCAEMO CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000408273951 160073768 /nfs/dbraw/zinc/07/37/68/160073768.db2.gz UWPFEQXNXOHRHQ-MELADBBJSA-N 1 1 311.426 0.470 10 0 DCAEMO CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC[N@H+]1C ZINC000408357245 160091527 /nfs/dbraw/zinc/09/15/27/160091527.db2.gz JVZAWDGAYHVTMS-GXTWGEPZSA-N 1 1 319.409 0.561 10 0 DCAEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@H](CO)C1 ZINC000408378890 160095239 /nfs/dbraw/zinc/09/52/39/160095239.db2.gz HOCLSGBMHXCNTN-LJISPDSOSA-N 1 1 313.442 0.756 10 0 DCAEMO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C)c(F)c1 ZINC000408435654 160107773 /nfs/dbraw/zinc/10/77/73/160107773.db2.gz YRDZGSPMYMJCPA-SNVBAGLBSA-N 1 1 301.387 0.874 10 0 DCAEMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C)c(F)c1 ZINC000408435654 160107774 /nfs/dbraw/zinc/10/77/74/160107774.db2.gz YRDZGSPMYMJCPA-SNVBAGLBSA-N 1 1 301.387 0.874 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000407989332 286939474 /nfs/dbraw/zinc/93/94/74/286939474.db2.gz JFOWGYDMTPCCEP-ZIAGYGMSSA-N 1 1 311.426 0.160 10 0 DCAEMO CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139627368 287029688 /nfs/dbraw/zinc/02/96/88/287029688.db2.gz SVYFUXFUZRHEDW-LBPRGKRZSA-N 1 1 320.459 0.051 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000245435296 287069064 /nfs/dbraw/zinc/06/90/64/287069064.db2.gz QIDAKDUIADMQQQ-MJBXVCDLSA-N 1 1 312.458 0.241 10 0 DCAEMO CC[C@H]1CN(C(=O)C(=O)Nc2nocc2C)CC[N@@H+]1C[C@H](C)O ZINC000246247522 287079957 /nfs/dbraw/zinc/07/99/57/287079957.db2.gz UXVPXXGLTCJILZ-RYUDHWBXSA-N 1 1 324.381 0.225 10 0 DCAEMO CC[C@H]1CN(C(=O)C(=O)Nc2nocc2C)CC[N@H+]1C[C@H](C)O ZINC000246247522 287079958 /nfs/dbraw/zinc/07/99/58/287079958.db2.gz UXVPXXGLTCJILZ-RYUDHWBXSA-N 1 1 324.381 0.225 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC[N@@H+]1C[C@H](C)O ZINC000246162934 287077917 /nfs/dbraw/zinc/07/79/17/287077917.db2.gz LZMATWSQUTXMFL-MELADBBJSA-N 1 1 320.455 0.130 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC[N@H+]1C[C@H](C)O ZINC000246162934 287077919 /nfs/dbraw/zinc/07/79/19/287077919.db2.gz LZMATWSQUTXMFL-MELADBBJSA-N 1 1 320.455 0.130 10 0 DCAEMO CC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000246717817 287086895 /nfs/dbraw/zinc/08/68/95/287086895.db2.gz LEKFOSHYSBPLGA-GUTXKFCHSA-N 1 1 311.426 0.158 10 0 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/nfs/dbraw/zinc/11/50/06/287115006.db2.gz RRMCQKPILMMHJE-OCCSQVGLSA-N 1 1 318.439 0.686 10 0 DCAEMO COC(=O)[C@]1(C)CCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000249582492 287115010 /nfs/dbraw/zinc/11/50/10/287115010.db2.gz RRMCQKPILMMHJE-OCCSQVGLSA-N 1 1 318.439 0.686 10 0 DCAEMO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249520992 287112659 /nfs/dbraw/zinc/11/26/59/287112659.db2.gz VFIMQYRLWNRPIJ-KBPBESRZSA-N 1 1 322.405 0.471 10 0 DCAEMO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249520992 287112660 /nfs/dbraw/zinc/11/26/60/287112660.db2.gz VFIMQYRLWNRPIJ-KBPBESRZSA-N 1 1 322.405 0.471 10 0 DCAEMO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC[C@H]1C ZINC000251640107 287119475 /nfs/dbraw/zinc/11/94/75/287119475.db2.gz HDGAGTGXOMILKS-UMVBOHGHSA-N 1 1 311.426 0.422 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000245416086 287229792 /nfs/dbraw/zinc/22/97/92/287229792.db2.gz DWPAJOHVOAETKH-MJBXVCDLSA-N 1 1 310.442 0.138 10 0 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/nfs/dbraw/zinc/11/44/05/193114405.db2.gz NTPKIYWKIIGKDO-UHFFFAOYSA-N 1 1 319.409 0.081 10 0 DCAEMO C[C@H](CNC(=O)NC[C@H](O)Cn1ccnn1)[N@H+]1CCC[C@@H](C)C1 ZINC000457694406 241024482 /nfs/dbraw/zinc/02/44/82/241024482.db2.gz PXPMRTWFVWFUTE-MCIONIFRSA-N 1 1 324.429 0.059 10 0 DCAEMO COC(=O)C(C)(C)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000489894206 241100254 /nfs/dbraw/zinc/10/02/54/241100254.db2.gz ZWTMUMJVDYADCS-UHFFFAOYSA-N 1 1 307.398 0.616 10 0 DCAEMO O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000568015200 291398060 /nfs/dbraw/zinc/39/80/60/291398060.db2.gz OVLBKDUFWHHDDJ-RRFJBIMHSA-N 1 1 301.383 0.034 10 0 DCAEMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCOC[C@]12CCOC2 ZINC000568015200 291398061 /nfs/dbraw/zinc/39/80/61/291398061.db2.gz OVLBKDUFWHHDDJ-RRFJBIMHSA-N 1 1 301.383 0.034 10 0 DCAEMO CCN(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000190634223 284318160 /nfs/dbraw/zinc/31/81/60/284318160.db2.gz UQASCMJBYIQAQU-QWHCGFSZSA-N 1 1 314.430 0.263 10 0 DCAEMO 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/nfs/dbraw/zinc/16/52/53/132165253.db2.gz FGPXSZPLPOXPNP-RYUDHWBXSA-N 1 1 309.414 0.997 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000193820727 395779493 /nfs/dbraw/zinc/77/94/93/395779493.db2.gz GPXAIQRCPHIFQE-LBPRGKRZSA-N 1 1 311.407 0.548 10 0 DCAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000193820727 395779496 /nfs/dbraw/zinc/77/94/96/395779496.db2.gz GPXAIQRCPHIFQE-LBPRGKRZSA-N 1 1 311.407 0.548 10 0 DCAEMO NC(=O)C[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103286447 395773102 /nfs/dbraw/zinc/77/31/02/395773102.db2.gz LYPXDRMPEWXHFC-HNNXBMFYSA-N 1 1 322.453 0.459 10 0 DCAEMO C[N@@H+]1C[C@H]2CN(CC(=O)NC(=O)Nc3ccccc3)C[C@H]2C1 ZINC000193635212 395775894 /nfs/dbraw/zinc/77/58/94/395775894.db2.gz MYNUUNIQIDLROL-BETUJISGSA-N 1 1 302.378 0.828 10 0 DCAEMO COCCOCCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000194616818 395802387 /nfs/dbraw/zinc/80/23/87/395802387.db2.gz NRJFGPCEERHLNK-AWEZNQCLSA-N 1 1 314.426 0.751 10 0 DCAEMO 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/nfs/dbraw/zinc/26/39/60/158263960.db2.gz KJPHQDWVVYUQNU-AWEZNQCLSA-N 1 1 315.373 0.638 10 0 DCAEMO CCN(C)C(=O)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000130378907 158294372 /nfs/dbraw/zinc/29/43/72/158294372.db2.gz AJSMUNKYXBJRIY-INIZCTEOSA-N 1 1 310.486 0.957 10 0 DCAEMO CCN(C)C(=O)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000130378907 158294373 /nfs/dbraw/zinc/29/43/73/158294373.db2.gz AJSMUNKYXBJRIY-INIZCTEOSA-N 1 1 310.486 0.957 10 0 DCAEMO CN(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000132402789 158310819 /nfs/dbraw/zinc/31/08/19/158310819.db2.gz MXPJOHVGGSLOCH-AWEZNQCLSA-N 1 1 319.453 0.972 10 0 DCAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000135401334 158336127 /nfs/dbraw/zinc/33/61/27/158336127.db2.gz DPVAQUHJLIMWPW-LSDHHAIUSA-N 1 1 306.362 0.623 10 0 DCAEMO C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000135401334 158336129 /nfs/dbraw/zinc/33/61/29/158336129.db2.gz DPVAQUHJLIMWPW-LSDHHAIUSA-N 1 1 306.362 0.623 10 0 DCAEMO O=C(CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CCCCC1 ZINC000171623002 158383963 /nfs/dbraw/zinc/38/39/63/158383963.db2.gz FUHQEKSVFFJLGI-CQSZACIVSA-N 1 1 308.426 0.879 10 0 DCAEMO C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171586786 158384476 /nfs/dbraw/zinc/38/44/76/158384476.db2.gz KYBXXIIWHYVZCT-ZYHUDNBSSA-N 1 1 322.438 0.795 10 0 DCAEMO C[C@H](NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCCCC1 ZINC000171638899 158384983 /nfs/dbraw/zinc/38/49/83/158384983.db2.gz PQSLGFUHQRGTNW-LSDHHAIUSA-N 1 1 322.453 0.284 10 0 DCAEMO CCc1nnc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1C ZINC000171933035 158388776 /nfs/dbraw/zinc/38/87/76/158388776.db2.gz FUIDPFYQUUEGGG-OAHLLOKOSA-N 1 1 320.485 0.979 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCC(N)=O ZINC000172173537 158391438 /nfs/dbraw/zinc/39/14/38/158391438.db2.gz QVVXHESMMHZAMK-JSGCOSHPSA-N 1 1 319.409 0.467 10 0 DCAEMO Cc1ccc2ncc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)c(=O)n2c1 ZINC000408114186 292394703 /nfs/dbraw/zinc/39/47/03/292394703.db2.gz WHNGTXVSHKWRSL-LBPRGKRZSA-N 1 1 300.362 0.779 10 0 DCAEMO Cc1ccc2ncc(C(=O)N3CC[N@H+](C)C[C@@H]3C)c(=O)n2c1 ZINC000408114186 292394707 /nfs/dbraw/zinc/39/47/07/292394707.db2.gz WHNGTXVSHKWRSL-LBPRGKRZSA-N 1 1 300.362 0.779 10 0 DCAEMO NC(=O)[C@]1(O)CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000323374273 159012564 /nfs/dbraw/zinc/01/25/64/159012564.db2.gz FIZFAYAPPUBWKC-VBQJREDUSA-N 1 1 323.437 0.480 10 0 DCAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000328920840 159041506 /nfs/dbraw/zinc/04/15/06/159041506.db2.gz BGWLTUQJBDGOLY-LSDHHAIUSA-N 1 1 317.389 0.705 10 0 DCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000328920840 159041509 /nfs/dbraw/zinc/04/15/09/159041509.db2.gz BGWLTUQJBDGOLY-LSDHHAIUSA-N 1 1 317.389 0.705 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)[N@@H+](C)C1 ZINC000329021188 159052661 /nfs/dbraw/zinc/05/26/61/159052661.db2.gz MDJCZGBEIXSXQM-KKUMJFAQSA-N 1 1 322.409 0.138 10 0 DCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C2CC2)CC1 ZINC000329056183 159056649 /nfs/dbraw/zinc/05/66/49/159056649.db2.gz SNDMRRGPSGNSQF-OKILXGFUSA-N 1 1 319.405 0.468 10 0 DCAEMO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC[NH+](C2CC2)CC1 ZINC000329056184 159057356 /nfs/dbraw/zinc/05/73/56/159057356.db2.gz SNDMRRGPSGNSQF-ZIAGYGMSSA-N 1 1 319.405 0.468 10 0 DCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)CCO1 ZINC000329231522 159074634 /nfs/dbraw/zinc/07/46/34/159074634.db2.gz FGNPXTQOWPSOCQ-CYBMUJFWSA-N 1 1 323.437 0.567 10 0 DCAEMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)nn1 ZINC000329620652 159107387 /nfs/dbraw/zinc/10/73/87/159107387.db2.gz FMADXQSDZLTAHN-CDGCEXEKSA-N 1 1 323.397 0.029 10 0 DCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000330018615 159136008 /nfs/dbraw/zinc/13/60/08/159136008.db2.gz TUUGBLCDVMWQFR-VXGBXAGGSA-N 1 1 303.366 0.256 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000330018615 159136009 /nfs/dbraw/zinc/13/60/09/159136009.db2.gz TUUGBLCDVMWQFR-VXGBXAGGSA-N 1 1 303.366 0.256 10 0 DCAEMO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)OC)C[C@@H]1[NH+]1CCOCC1 ZINC000375862569 159823540 /nfs/dbraw/zinc/82/35/40/159823540.db2.gz SKEVQPZBLSQQFD-TUVASFSCSA-N 1 1 324.421 0.755 10 0 DCAEMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000407996471 160006576 /nfs/dbraw/zinc/00/65/76/160006576.db2.gz MLLOXHPZTCQSAY-MCIONIFRSA-N 1 1 310.394 0.651 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000408019480 160012700 /nfs/dbraw/zinc/01/27/00/160012700.db2.gz GQRJJOAAWFMRJM-ZDUSSCGKSA-N 1 1 317.455 0.259 10 0 DCAEMO Cc1noc(CCCC(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000408042531 160020237 /nfs/dbraw/zinc/02/02/37/160020237.db2.gz RYOWYRBFMCRMCF-STQMWFEESA-N 1 1 308.382 0.632 10 0 DCAEMO CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@H](C)C2)[N@@H+](C)C1 ZINC000408046667 160021203 /nfs/dbraw/zinc/02/12/03/160021203.db2.gz CQVLVPOSABFAQC-RDBSUJKOSA-N 1 1 311.426 0.422 10 0 DCAEMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000408122444 160041804 /nfs/dbraw/zinc/04/18/04/160041804.db2.gz KDYMNZWEGQVREB-CQSZACIVSA-N 1 1 320.393 0.289 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000408184807 160055482 /nfs/dbraw/zinc/05/54/82/160055482.db2.gz DYDHOHLHJIPACH-VXGBXAGGSA-N 1 1 305.444 0.067 10 0 DCAEMO C[N@@H+](CCO)C1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000408222639 160063065 /nfs/dbraw/zinc/06/30/65/160063065.db2.gz DOPUUBSYVSSPSA-UHFFFAOYSA-N 1 1 304.456 0.895 10 0 DCAEMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNC(=O)c2ccco2)C1 ZINC000408233745 160065675 /nfs/dbraw/zinc/06/56/75/160065675.db2.gz XHLJQYWCLWVWNK-OLZOCXBDSA-N 1 1 305.378 0.952 10 0 DCAEMO CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC(=O)N1 ZINC000408318224 160083876 /nfs/dbraw/zinc/08/38/76/160083876.db2.gz INFCRXWVWNVSSJ-RFQIPJPRSA-N 1 1 311.426 0.205 10 0 DCAEMO CC[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC(=O)N1 ZINC000408318224 160083877 /nfs/dbraw/zinc/08/38/77/160083877.db2.gz INFCRXWVWNVSSJ-RFQIPJPRSA-N 1 1 311.426 0.205 10 0 DCAEMO O=C(Cn1c(=O)[nH]c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000131687758 287001766 /nfs/dbraw/zinc/00/17/66/287001766.db2.gz JZFYRMQVMYTSLL-UHFFFAOYSA-N 1 1 318.377 0.168 10 0 DCAEMO CCOC(=O)C(C)(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131761084 287002129 /nfs/dbraw/zinc/00/21/29/287002129.db2.gz VZZDROGLMYBEOH-LLVKDONJSA-N 1 1 306.428 0.589 10 0 DCAEMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cncc(OCCO)n1 ZINC000133615248 287012044 /nfs/dbraw/zinc/01/20/44/287012044.db2.gz OUTIJAHLWQKWNC-UHFFFAOYSA-N 1 1 324.425 0.642 10 0 DCAEMO CCC(=O)N1CC[C@@H](C(=O)N2CC[NH+](C[C@H](O)CC)CC2)C1 ZINC000151115059 287032093 /nfs/dbraw/zinc/03/20/93/287032093.db2.gz GIKVYXKXSRTFGZ-ZIAGYGMSSA-N 1 1 311.426 0.160 10 0 DCAEMO CC[C@H]1C[N@@H+](CCCN2C(=O)CNC2=O)CCN1CC(F)F ZINC000153367592 287049413 /nfs/dbraw/zinc/04/94/13/287049413.db2.gz DOLQTKCEKHXKNM-NSHDSACASA-N 1 1 318.368 0.590 10 0 DCAEMO Cc1ccccc1-c1nnn(C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000193398561 287060790 /nfs/dbraw/zinc/06/07/90/287060790.db2.gz MVOLQPVYNBVSND-ZDUSSCGKSA-N 1 1 303.366 0.342 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)COC1CCOCC1 ZINC000245872846 287073774 /nfs/dbraw/zinc/07/37/74/287073774.db2.gz PUCWMFWOQBBCQW-LSDHHAIUSA-N 1 1 300.443 0.959 10 0 DCAEMO CCN1CCC[C@H]1C[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000245872846 287073777 /nfs/dbraw/zinc/07/37/77/287073777.db2.gz PUCWMFWOQBBCQW-LSDHHAIUSA-N 1 1 300.443 0.959 10 0 DCAEMO CCN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000245872846 287073781 /nfs/dbraw/zinc/07/37/81/287073781.db2.gz PUCWMFWOQBBCQW-LSDHHAIUSA-N 1 1 300.443 0.959 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC[N@@H+]1C[C@@H](C)O ZINC000246162924 287077930 /nfs/dbraw/zinc/07/79/30/287077930.db2.gz LZMATWSQUTXMFL-HZSPNIEDSA-N 1 1 320.455 0.130 10 0 DCAEMO CC[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)CC[N@H+]1C[C@@H](C)O ZINC000246162924 287077931 /nfs/dbraw/zinc/07/79/31/287077931.db2.gz LZMATWSQUTXMFL-HZSPNIEDSA-N 1 1 320.455 0.130 10 0 DCAEMO CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246189698 287078581 /nfs/dbraw/zinc/07/85/81/287078581.db2.gz MKJBMEPLPDVXAJ-AVGNSLFASA-N 1 1 319.471 0.934 10 0 DCAEMO CCS(=O)(=O)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246189698 287078582 /nfs/dbraw/zinc/07/85/82/287078582.db2.gz MKJBMEPLPDVXAJ-AVGNSLFASA-N 1 1 319.471 0.934 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(C)(=O)=O ZINC000246895731 287089022 /nfs/dbraw/zinc/08/90/22/287089022.db2.gz HEAMTORNGYRGGN-NEPJUHHUSA-N 1 1 303.428 0.011 10 0 DCAEMO C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000246668686 287086395 /nfs/dbraw/zinc/08/63/95/287086395.db2.gz UBNVGUUNGZZWHF-UWVGGRQHSA-N 1 1 322.331 0.543 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC1CCCC1 ZINC000247320496 287092722 /nfs/dbraw/zinc/09/27/22/287092722.db2.gz OPQONHCJTGCYJL-OCCSQVGLSA-N 1 1 308.426 0.923 10 0 DCAEMO CCOCC[N@@H+]1CCN(CC(=O)NCCCOC)C[C@H]1C ZINC000247383485 287093286 /nfs/dbraw/zinc/09/32/86/287093286.db2.gz WEDAJPMDGGTZIJ-CQSZACIVSA-N 1 1 301.431 0.182 10 0 DCAEMO CCOCC[N@H+]1CCN(CC(=O)NCCCOC)C[C@H]1C ZINC000247383485 287093289 /nfs/dbraw/zinc/09/32/89/287093289.db2.gz WEDAJPMDGGTZIJ-CQSZACIVSA-N 1 1 301.431 0.182 10 0 DCAEMO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)CCN1C ZINC000247404738 287093657 /nfs/dbraw/zinc/09/36/57/287093657.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 1 1 300.443 0.957 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@@H](C)C1 ZINC000248880386 287102508 /nfs/dbraw/zinc/10/25/08/287102508.db2.gz KPNVKDJNBOAEHM-XQQFMLRXSA-N 1 1 319.471 0.455 10 0 DCAEMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249576276 287114445 /nfs/dbraw/zinc/11/44/45/287114445.db2.gz PPWNRGPDKJCYRY-XUWVNRHRSA-N 1 1 311.470 0.878 10 0 DCAEMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249576276 287114446 /nfs/dbraw/zinc/11/44/46/287114446.db2.gz PPWNRGPDKJCYRY-XUWVNRHRSA-N 1 1 311.470 0.878 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000249475497 287111449 /nfs/dbraw/zinc/11/14/49/287111449.db2.gz UDMNSTGSTORXKY-FRRDWIJNSA-N 1 1 305.444 0.414 10 0 DCAEMO Cc1ccc(OC[C@@H](O)CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000249604457 287116084 /nfs/dbraw/zinc/11/60/84/287116084.db2.gz ZGALZDQYCCATAI-HOTGVXAUSA-N 1 1 308.422 0.733 10 0 DCAEMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCN(CCO)[C@@H](C)C2)cc1 ZINC000249604457 287116085 /nfs/dbraw/zinc/11/60/85/287116085.db2.gz ZGALZDQYCCATAI-HOTGVXAUSA-N 1 1 308.422 0.733 10 0 DCAEMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCN(CCO)[C@@H](C)C2)cc1 ZINC000249604457 287116086 /nfs/dbraw/zinc/11/60/86/287116086.db2.gz ZGALZDQYCCATAI-HOTGVXAUSA-N 1 1 308.422 0.733 10 0 DCAEMO C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1CCO ZINC000249604069 287116098 /nfs/dbraw/zinc/11/60/98/287116098.db2.gz ZDFCNJDSNUEOIE-UKRRQHHQSA-N 1 1 312.385 0.564 10 0 DCAEMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(F)cc2)CCN1CCO ZINC000249604069 287116099 /nfs/dbraw/zinc/11/60/99/287116099.db2.gz ZDFCNJDSNUEOIE-UKRRQHHQSA-N 1 1 312.385 0.564 10 0 DCAEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)CCN1CCO ZINC000249604069 287116100 /nfs/dbraw/zinc/11/61/00/287116100.db2.gz ZDFCNJDSNUEOIE-UKRRQHHQSA-N 1 1 312.385 0.564 10 0 DCAEMO CN(C)c1nc(N[C@H]2CCN(c3cnn(C)c3)C2=O)cc[nH+]1 ZINC000607146455 412299155 /nfs/dbraw/zinc/29/91/55/412299155.db2.gz QSWDCGYIGSHGTL-NSHDSACASA-N 1 1 301.354 0.494 10 0 DCAEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccn(C)c1=O ZINC000177580524 287268978 /nfs/dbraw/zinc/26/89/78/287268978.db2.gz JAEUVPOJLXOJDS-GFCCVEGCSA-N 1 1 320.393 0.314 10 0 DCAEMO Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n2ncnc2n1 ZINC000267523272 415144361 /nfs/dbraw/zinc/14/43/61/415144361.db2.gz HCLNWXNEQXVLKR-AAEUAGOBSA-N 1 1 302.382 0.590 10 0 DCAEMO NC(=O)C[C@H]([NH3+])C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832845 415198914 /nfs/dbraw/zinc/19/89/14/415198914.db2.gz STVCGBTVCPOJEZ-JTQLQIEISA-N 1 1 301.293 0.149 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C[C@H]1C ZINC000273541352 415324000 /nfs/dbraw/zinc/32/40/00/415324000.db2.gz TWDQDXFBBGZEHG-DYEKYZERSA-N 1 1 321.425 0.884 10 0 DCAEMO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333117954 415560619 /nfs/dbraw/zinc/56/06/19/415560619.db2.gz ZFNGALPGINDXRN-RDBSUJKOSA-N 1 1 309.410 0.224 10 0 DCAEMO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000333117954 415560623 /nfs/dbraw/zinc/56/06/23/415560623.db2.gz ZFNGALPGINDXRN-RDBSUJKOSA-N 1 1 309.410 0.224 10 0 DCAEMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105903832 415636739 /nfs/dbraw/zinc/63/67/39/415636739.db2.gz YFUUZPOQFTWQOL-PMPSAXMXSA-N 1 1 324.425 0.547 10 0 DCAEMO Cn1nccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107281165 415665270 /nfs/dbraw/zinc/66/52/70/415665270.db2.gz NMZDWJMGAUYWFI-CQSZACIVSA-N 1 1 305.426 0.662 10 0 DCAEMO CCNC(=O)N1CC[C@H](NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333539613 415677881 /nfs/dbraw/zinc/67/78/81/415677881.db2.gz JBXRTRXPSQPAJE-SMDDNHRTSA-N 1 1 315.393 0.133 10 0 DCAEMO C[C@H]1[C@@H](O)CCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333668331 415711123 /nfs/dbraw/zinc/71/11/23/415711123.db2.gz MRCCYJVUPBVXIV-LBDPXKHJSA-N 1 1 324.469 0.758 10 0 DCAEMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000119832574 415750932 /nfs/dbraw/zinc/75/09/32/415750932.db2.gz RWTDCXUTASZDAO-LBPRGKRZSA-N 1 1 324.425 0.411 10 0 DCAEMO C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)CC1(O)CCCC1 ZINC000124322612 415848653 /nfs/dbraw/zinc/84/86/53/415848653.db2.gz CESPXMZOSGITFP-CYBMUJFWSA-N 1 1 304.456 0.895 10 0 DCAEMO CNC(=O)COc1cccc(CC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000120766552 415782001 /nfs/dbraw/zinc/78/20/01/415782001.db2.gz BBWBPPCAIPJPKX-AWEZNQCLSA-N 1 1 319.405 0.564 10 0 DCAEMO CC(C)(C)OC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000121134658 415793205 /nfs/dbraw/zinc/79/32/05/415793205.db2.gz BZZZXGSODOWHGE-OLZOCXBDSA-N 1 1 305.440 0.814 10 0 DCAEMO 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/nfs/dbraw/zinc/20/69/06/416206906.db2.gz GTEGIJJMTGZBRY-AWEZNQCLSA-N 1 1 321.425 0.590 10 0 DCAEMO CC(=O)N1CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000330614241 416218866 /nfs/dbraw/zinc/21/88/66/416218866.db2.gz ZXQBLUYRWHMSGN-UONOGXRCSA-N 1 1 324.425 0.751 10 0 DCAEMO Cc1csc([C@@H](C)NC(=O)C(=O)NCCn2cc[nH+]c2C)n1 ZINC000357979852 416164654 /nfs/dbraw/zinc/16/46/54/416164654.db2.gz LJSUVHIEPSDEQV-SNVBAGLBSA-N 1 1 321.406 0.950 10 0 DCAEMO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178500272 416164744 /nfs/dbraw/zinc/16/47/44/416164744.db2.gz AWLOHHFMOZWHJY-NEPJUHHUSA-N 1 1 317.455 0.257 10 0 DCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CC[N@@H+]1CCO ZINC000187291494 416260101 /nfs/dbraw/zinc/26/01/01/416260101.db2.gz XLHIATRYDOVZFP-LLVKDONJSA-N 1 1 311.407 0.003 10 0 DCAEMO C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)CC[N@H+]1CCO ZINC000187291494 416260106 /nfs/dbraw/zinc/26/01/06/416260106.db2.gz XLHIATRYDOVZFP-LLVKDONJSA-N 1 1 311.407 0.003 10 0 DCAEMO CC1=CC[N@@H+](CCNC(=O)N2CCNC(=O)[C@H]2C(C)C)CC1 ZINC000358630981 416263114 /nfs/dbraw/zinc/26/31/14/416263114.db2.gz BLMKCYJHSZMVFZ-CQSZACIVSA-N 1 1 308.426 0.804 10 0 DCAEMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 ZINC000192599912 416308867 /nfs/dbraw/zinc/30/88/67/416308867.db2.gz PHNMSARRZDIWAR-AWEZNQCLSA-N 1 1 317.389 0.771 10 0 DCAEMO CC(=O)c1ccc(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000331199861 416285160 /nfs/dbraw/zinc/28/51/60/416285160.db2.gz YKSTUCNBGKHNBB-CYBMUJFWSA-N 1 1 304.390 0.957 10 0 DCAEMO CC(=O)c1ccc(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000331199861 416285162 /nfs/dbraw/zinc/28/51/62/416285162.db2.gz YKSTUCNBGKHNBB-CYBMUJFWSA-N 1 1 304.390 0.957 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCC(N)=O ZINC000246810188 416332211 /nfs/dbraw/zinc/33/22/11/416332211.db2.gz CBIPEPYOSYCCSP-STQMWFEESA-N 1 1 317.389 0.859 10 0 DCAEMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CN(C)C(C)=O ZINC000261929747 416335780 /nfs/dbraw/zinc/33/57/80/416335780.db2.gz 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COCC[N@@H+]1CCN(C(=O)NCc2ccnc(C)n2)C[C@@H]1C ZINC000117483012 523843355 /nfs/dbraw/zinc/84/33/55/523843355.db2.gz LCJQUXBCLFELFV-LBPRGKRZSA-N 1 1 307.398 0.647 10 0 DCAEMO COCC[N@H+]1CCN(C(=O)NCc2ccnc(C)n2)C[C@@H]1C ZINC000117483012 523843361 /nfs/dbraw/zinc/84/33/61/523843361.db2.gz LCJQUXBCLFELFV-LBPRGKRZSA-N 1 1 307.398 0.647 10 0 DCAEMO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000365961835 523871626 /nfs/dbraw/zinc/87/16/26/523871626.db2.gz MELPQRGRGDKLPG-FRRDWIJNSA-N 1 1 318.439 0.684 10 0 DCAEMO COC(=O)[C@H](C)CS(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000365961835 523871630 /nfs/dbraw/zinc/87/16/30/523871630.db2.gz MELPQRGRGDKLPG-FRRDWIJNSA-N 1 1 318.439 0.684 10 0 DCAEMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H](C(N)=O)O2)C1 ZINC000248862662 524216255 /nfs/dbraw/zinc/21/62/55/524216255.db2.gz BFZRDDYDDQJYSZ-JHJVBQTASA-N 1 1 311.426 0.646 10 0 DCAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000248957450 525383651 /nfs/dbraw/zinc/38/36/51/525383651.db2.gz OVYRLEOMHBTFAM-RFQIPJPRSA-N 1 1 311.426 0.504 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(Cc2noc(C3CCOCC3)n2)C[C@H]1C ZINC000247371238 525772423 /nfs/dbraw/zinc/77/24/23/525772423.db2.gz UTJKRASRZYNAKS-OLZOCXBDSA-N 1 1 324.425 0.851 10 0 DCAEMO C[C@H](Sc1nncn1C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247174111 526017291 /nfs/dbraw/zinc/01/72/91/526017291.db2.gz KVBBIHCUBBYSDK-SDDRHHMPSA-N 1 1 309.439 0.991 10 0 DCAEMO Cc1cc(=O)n2nc(CN3CC[N@H+]4CCC[C@H]4C3)sc2n1 ZINC000247050877 526143529 /nfs/dbraw/zinc/14/35/29/526143529.db2.gz FHKVEOZNSXIWHP-NSHDSACASA-N 1 1 305.407 0.739 10 0 DCAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000249815734 526893077 /nfs/dbraw/zinc/89/30/77/526893077.db2.gz BRPHITLYGLKFHX-LSDHHAIUSA-N 1 1 301.390 0.903 10 0 DCAEMO CC(=O)c1cccc(OCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000188748995 527371058 /nfs/dbraw/zinc/37/10/58/527371058.db2.gz YEGWMONRFFCWRA-ZDUSSCGKSA-N 1 1 320.389 0.793 10 0 DCAEMO CC(=O)c1cccc(OCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000188748995 527371064 /nfs/dbraw/zinc/37/10/64/527371064.db2.gz YEGWMONRFFCWRA-ZDUSSCGKSA-N 1 1 320.389 0.793 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000147739714 545809549 /nfs/dbraw/zinc/80/95/49/545809549.db2.gz HUKQJDJZEKICEZ-LBPRGKRZSA-N 1 1 311.407 0.548 10 0 DCAEMO CCCn1nccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000154816697 545840607 /nfs/dbraw/zinc/84/06/07/545840607.db2.gz JNGGEKPWPLXVJS-VXGBXAGGSA-N 1 1 319.409 0.973 10 0 DCAEMO O=C(N[C@H]1COC[C@H]1n1ccnn1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332793518 546061657 /nfs/dbraw/zinc/06/16/57/546061657.db2.gz OMNLSZVJDFDSFL-IGQOVBAYSA-N 1 1 320.397 0.144 10 0 DCAEMO CC[N@H+]1CC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nc[nH]n2)C1 ZINC000333551905 546085066 /nfs/dbraw/zinc/08/50/66/546085066.db2.gz JNSLECKTTGCVJU-TUAOUCFPSA-N 1 1 308.386 0.370 10 0 DCAEMO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nnc[nH]2)C1 ZINC000333551905 546085068 /nfs/dbraw/zinc/08/50/68/546085068.db2.gz JNSLECKTTGCVJU-TUAOUCFPSA-N 1 1 308.386 0.370 10 0 DCAEMO CC[N@H+]1CC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2c2nnc[nH]2)C1 ZINC000333551905 546085071 /nfs/dbraw/zinc/08/50/71/546085071.db2.gz JNSLECKTTGCVJU-TUAOUCFPSA-N 1 1 308.386 0.370 10 0 DCAEMO C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)CN(C)C ZINC000725272099 548750097 /nfs/dbraw/zinc/75/00/97/548750097.db2.gz MLHKMAOZCUZOON-CMPLNLGQSA-N 1 1 311.455 0.614 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)CN(C)C ZINC000725272099 548750103 /nfs/dbraw/zinc/75/01/03/548750103.db2.gz MLHKMAOZCUZOON-CMPLNLGQSA-N 1 1 311.455 0.614 10 0 DCAEMO C[C@H]1C[N@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)CN(C)C ZINC000725272100 548750144 /nfs/dbraw/zinc/75/01/44/548750144.db2.gz MLHKMAOZCUZOON-JQWIXIFHSA-N 1 1 311.455 0.614 10 0 DCAEMO C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)CN(C)C ZINC000725272100 548750148 /nfs/dbraw/zinc/75/01/48/548750148.db2.gz MLHKMAOZCUZOON-JQWIXIFHSA-N 1 1 311.455 0.614 10 0 DCAEMO O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@H](N2CCCCC2)C1 ZINC000216619126 657522471 /nfs/dbraw/zinc/52/24/71/657522471.db2.gz HUGYLBWNUBLXIY-KBPBESRZSA-N 1 1 301.456 0.628 10 0 DCAEMO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000181373734 665561727 /nfs/dbraw/zinc/56/17/27/665561727.db2.gz FQQNFXDWTWIYMH-VXGBXAGGSA-N 1 1 306.366 0.188 10 0 DCAEMO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000181373734 665561729 /nfs/dbraw/zinc/56/17/29/665561729.db2.gz FQQNFXDWTWIYMH-VXGBXAGGSA-N 1 1 306.366 0.188 10 0 DCAEMO CCCN1C(=O)C(=O)N(CN(C)C[C@H]2CCC[N@H+]2CC)C1=O ZINC000177158382 658706618 /nfs/dbraw/zinc/70/66/18/658706618.db2.gz QJCXTGBBGAWKLH-GFCCVEGCSA-N 1 1 310.398 0.561 10 0 DCAEMO COc1nccc(C[N@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078321 658725998 /nfs/dbraw/zinc/72/59/98/658725998.db2.gz JHAHPSKFHHBGBC-WCQYABFASA-N 1 1 304.354 0.228 10 0 DCAEMO COc1nccc(C[N@@H+]2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)n1 ZINC000888078321 658726003 /nfs/dbraw/zinc/72/60/03/658726003.db2.gz JHAHPSKFHHBGBC-WCQYABFASA-N 1 1 304.354 0.228 10 0 DCAEMO CC1([C@@H]2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)OCCO1 ZINC000248467502 659222053 /nfs/dbraw/zinc/22/20/53/659222053.db2.gz SVVVWJCQCOSXQQ-CABCVRRESA-N 1 1 314.426 0.155 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC000333127406 659769554 /nfs/dbraw/zinc/76/95/54/659769554.db2.gz ICYLQHBJIPYKTM-LBPRGKRZSA-N 1 1 317.393 0.795 10 0 DCAEMO CCN1CCN(c2ccc(CNC(=O)C[C@@H](C)[NH3+])cn2)CC1 ZINC000261749565 661616362 /nfs/dbraw/zinc/61/63/62/661616362.db2.gz HENHOUHABVQHSK-CYBMUJFWSA-N 1 1 305.426 0.577 10 0 DCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000896212654 662252814 /nfs/dbraw/zinc/25/28/14/662252814.db2.gz MHBRKWIFPFVLDN-CQSZACIVSA-N 1 1 308.426 0.842 10 0 DCAEMO Cc1noc([C@@]2(O)CCN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C2)n1 ZINC000897572876 662905581 /nfs/dbraw/zinc/90/55/81/662905581.db2.gz KFSHOMRQPWMLBX-XHDPSFHLSA-N 1 1 308.382 0.671 10 0 DCAEMO O=C(NC[C@H](O)C(F)(F)F)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729620084 662905609 /nfs/dbraw/zinc/90/56/09/662905609.db2.gz VBLKOKZEXMHSFO-AEJSXWLSSA-N 1 1 311.304 0.072 10 0 DCAEMO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCc2cc[nH]c(=O)c21 ZINC000898915527 663114204 /nfs/dbraw/zinc/11/42/04/663114204.db2.gz POXCFEXHLUVBTE-OLZOCXBDSA-N 1 1 303.362 0.930 10 0 DCAEMO COC(CNC(=O)[C@H]1C[N@H+](C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221550 664291631 /nfs/dbraw/zinc/29/16/31/664291631.db2.gz UQIXZDGTTNAEOO-DZGCQCFKSA-N 1 1 322.405 0.968 10 0 DCAEMO COC(CNC(=O)[C@H]1C[N@@H+](C)C[C@H](C)O1)(OC)c1ccccc1 ZINC000913221550 664291635 /nfs/dbraw/zinc/29/16/35/664291635.db2.gz UQIXZDGTTNAEOO-DZGCQCFKSA-N 1 1 322.405 0.968 10 0 DCAEMO O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000222913776 664393286 /nfs/dbraw/zinc/39/32/86/664393286.db2.gz HUGYLBWNUBLXIY-KGLIPLIRSA-N 1 1 301.456 0.628 10 0 DCAEMO CC(=O)NCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561546 664610123 /nfs/dbraw/zinc/61/01/23/664610123.db2.gz UBSLVCOQGNHEFM-KRWDZBQOSA-N 1 1 305.422 0.864 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CN1C(=O)NC2(CCOCC2)C1=O ZINC000153245866 664805892 /nfs/dbraw/zinc/80/58/92/664805892.db2.gz POSADNKOHKFDIX-QWHCGFSZSA-N 1 1 322.409 0.213 10 0 DCAEMO COCCN1CC[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154811796 665183272 /nfs/dbraw/zinc/18/32/72/665183272.db2.gz VVAGUQDDMMQNRC-NSHDSACASA-N 1 1 311.348 0.708 10 0 DCAEMO COCC[N@H+]1CCN(CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154811796 665183269 /nfs/dbraw/zinc/18/32/69/665183269.db2.gz VVAGUQDDMMQNRC-NSHDSACASA-N 1 1 311.348 0.708 10 0 DCAEMO COCCN1CC[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]1C ZINC000154811796 665183270 /nfs/dbraw/zinc/18/32/70/665183270.db2.gz VVAGUQDDMMQNRC-NSHDSACASA-N 1 1 311.348 0.708 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccnn1C ZINC000186574617 666522958 /nfs/dbraw/zinc/52/29/58/666522958.db2.gz UFABBUPJAYPXCZ-AWEZNQCLSA-N 1 1 309.414 0.373 10 0 DCAEMO CSc1ncc(Cl)c(C(=O)N(C)CC[N@@H+](C)CCO)n1 ZINC000701095625 666803979 /nfs/dbraw/zinc/80/39/79/666803979.db2.gz UBZOZPRTBMLJAR-UHFFFAOYSA-N 1 1 318.830 0.848 10 0 DCAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCCC[C@H]1c1nccs1 ZINC000710537244 667445786 /nfs/dbraw/zinc/44/57/86/667445786.db2.gz KBNYDUNOELTBGB-NSHDSACASA-N 1 1 316.452 0.820 10 0 DCAEMO COC(=O)c1ccc(=O)n(CN2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000739847627 667721034 /nfs/dbraw/zinc/72/10/34/667721034.db2.gz SRLXJESZBALXLL-UHFFFAOYSA-N 1 1 322.409 0.794 10 0 DCAEMO Cn1cncc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCC[N@@H+]1C ZINC000886048155 667726800 /nfs/dbraw/zinc/72/68/00/667726800.db2.gz AGFXISFKEDWYIS-SMDDNHRTSA-N 1 1 312.439 0.885 10 0 DCAEMO Cn1cncc1[C@H]1[C@H](CNS(=O)(=O)C2CC2)CCC[N@H+]1C ZINC000886048155 667726802 /nfs/dbraw/zinc/72/68/02/667726802.db2.gz AGFXISFKEDWYIS-SMDDNHRTSA-N 1 1 312.439 0.885 10 0 DCAEMO C[C@@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000742218779 667785317 /nfs/dbraw/zinc/78/53/17/667785317.db2.gz ORPUHWIXUQNSKG-CABCVRRESA-N 1 1 306.410 0.842 10 0 DCAEMO CC[N@@H+]1CCC[C@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000128564552 669258038 /nfs/dbraw/zinc/25/80/38/669258038.db2.gz LUDJIURCCKGBJY-LBPRGKRZSA-N 1 1 317.455 0.689 10 0 DCAEMO CC[N@H+]1CCC[C@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 ZINC000128564552 669258045 /nfs/dbraw/zinc/25/80/45/669258045.db2.gz LUDJIURCCKGBJY-LBPRGKRZSA-N 1 1 317.455 0.689 10 0 DCAEMO C[C@H]1CN(C(=O)C[C@@H]2CSCCS2)CC[N@@H+]1CCO ZINC000188779626 670046748 /nfs/dbraw/zinc/04/67/48/670046748.db2.gz ZRXHPCNBCUHIIS-NWDGAFQWSA-N 1 1 304.481 0.750 10 0 DCAEMO C[C@H]1CN(C(=O)C[C@@H]2CSCCS2)CC[N@H+]1CCO ZINC000188779626 670046750 /nfs/dbraw/zinc/04/67/50/670046750.db2.gz ZRXHPCNBCUHIIS-NWDGAFQWSA-N 1 1 304.481 0.750 10 0 DCAEMO Cn1nnc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000194434840 670432333 /nfs/dbraw/zinc/43/23/33/670432333.db2.gz ZVUKPRGQWBYXQL-AWEZNQCLSA-N 1 1 302.382 0.061 10 0 DCAEMO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CC[NH+](C2CC2)CC1 ZINC000082355867 670475778 /nfs/dbraw/zinc/47/57/78/670475778.db2.gz 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C[C@H]1C[C@H](NC(=O)N[C@H]2COC[C@H]2n2ccnn2)C[N@H+]1C1CC1 ZINC000332802198 396895292 /nfs/dbraw/zinc/89/52/92/396895292.db2.gz ZELYWSHTMFVOMA-AUZPSNTRSA-N 1 1 320.397 0.142 10 0 DCAEMO COC(=O)[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)C1CC1 ZINC000611614295 396895729 /nfs/dbraw/zinc/89/57/29/396895729.db2.gz GOBKWTZSLOMTHY-RWSFTLGLSA-N 1 1 309.366 0.248 10 0 DCAEMO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630045724 396929288 /nfs/dbraw/zinc/92/92/88/396929288.db2.gz RKFUFPHFNODOOT-KGLIPLIRSA-N 1 1 314.426 0.222 10 0 DCAEMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)CC1(O)CCOCC1 ZINC000630045724 396929295 /nfs/dbraw/zinc/92/92/95/396929295.db2.gz RKFUFPHFNODOOT-KGLIPLIRSA-N 1 1 314.426 0.222 10 0 DCAEMO COC[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376485452 396936214 /nfs/dbraw/zinc/93/62/14/396936214.db2.gz OCOIKJGNIFCLQL-FUDCBSFHSA-N 1 1 311.426 0.469 10 0 DCAEMO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000630846620 397116824 /nfs/dbraw/zinc/11/68/24/397116824.db2.gz MVRCPJJSCPPPTR-HZPDHXFCSA-N 1 1 323.437 0.711 10 0 DCAEMO c1cn(C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)nn1 ZINC000364411553 397196967 /nfs/dbraw/zinc/19/69/67/397196967.db2.gz BAXUMQQIKWXFHL-UHFFFAOYSA-N 1 1 315.381 0.746 10 0 DCAEMO C[C@@H]1CCOCCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000378519333 397250487 /nfs/dbraw/zinc/25/04/87/397250487.db2.gz MXYPPUNMSXZETF-CQSZACIVSA-N 1 1 312.458 0.833 10 0 DCAEMO CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381034401 397271338 /nfs/dbraw/zinc/27/13/38/397271338.db2.gz CBEVSTUYOUUAJV-JSGCOSHPSA-N 1 1 307.394 0.514 10 0 DCAEMO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614108151 397384351 /nfs/dbraw/zinc/38/43/51/397384351.db2.gz UVVBUDUWTVNFEL-ZNMIVQPWSA-N 1 1 311.401 0.890 10 0 DCAEMO CCOC(=O)C1(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000408077254 397346095 /nfs/dbraw/zinc/34/60/95/397346095.db2.gz VKUMAQDZFOMUJS-QWHCGFSZSA-N 1 1 312.410 0.897 10 0 DCAEMO 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ZINC000329158724 159069027 /nfs/dbraw/zinc/06/90/27/159069027.db2.gz XDIWFYWMCXNQQW-ZDUSSCGKSA-N 1 1 313.365 0.425 10 0 DCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CCO1 ZINC000329262383 159077791 /nfs/dbraw/zinc/07/77/91/159077791.db2.gz ZKOQWVLTTINHJV-JSGCOSHPSA-N 1 1 309.410 0.319 10 0 DCAEMO C[C@@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000329369160 159086634 /nfs/dbraw/zinc/08/66/34/159086634.db2.gz AJAAVNWJLMSIDM-AGIUHOORSA-N 1 1 313.423 0.932 10 0 DCAEMO C[NH+]1CCN(C(=O)Cc2noc(C(C)(C)C(F)F)n2)CC1 ZINC000329472860 159095733 /nfs/dbraw/zinc/09/57/33/159095733.db2.gz BHDVNEBTHIXVLH-UHFFFAOYSA-N 1 1 302.325 0.929 10 0 DCAEMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)nn1 ZINC000329557989 159101703 /nfs/dbraw/zinc/10/17/03/159101703.db2.gz LKDCBUFIJZUXBH-CDGCEXEKSA-N 1 1 323.397 0.029 10 0 DCAEMO CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)nn1 ZINC000329557989 159101706 /nfs/dbraw/zinc/10/17/06/159101706.db2.gz LKDCBUFIJZUXBH-CDGCEXEKSA-N 1 1 323.397 0.029 10 0 DCAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCS2(=O)=O)[C@@H](C)C1 ZINC000329606062 159106479 /nfs/dbraw/zinc/10/64/79/159106479.db2.gz ZPVAJKHOBSZMHN-QWHCGFSZSA-N 1 1 317.455 0.211 10 0 DCAEMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCc2cc[nH]c(=O)c2C1 ZINC000330299924 159157384 /nfs/dbraw/zinc/15/73/84/159157384.db2.gz IFTPIWITPGTDKI-CQSZACIVSA-N 1 1 302.378 0.062 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)NCc2ccc(NC(C)=O)nc2)[N@H+](C)C1 ZINC000330589536 159198205 /nfs/dbraw/zinc/19/82/05/159198205.db2.gz YABGAMPDIPUQBO-STQMWFEESA-N 1 1 306.366 0.375 10 0 DCAEMO CO[C@H]1C[C@@H](C(=O)NCc2ccc(NC(C)=O)nc2)[N@@H+](C)C1 ZINC000330589536 159198207 /nfs/dbraw/zinc/19/82/07/159198207.db2.gz YABGAMPDIPUQBO-STQMWFEESA-N 1 1 306.366 0.375 10 0 DCAEMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000366743880 159282535 /nfs/dbraw/zinc/28/25/35/159282535.db2.gz KJTCZKBZXPEGQE-LLVKDONJSA-N 1 1 310.379 0.923 10 0 DCAEMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000366743880 159282536 /nfs/dbraw/zinc/28/25/36/159282536.db2.gz KJTCZKBZXPEGQE-LLVKDONJSA-N 1 1 310.379 0.923 10 0 DCAEMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000368489473 159397869 /nfs/dbraw/zinc/39/78/69/159397869.db2.gz BETUWPXLIYSYQR-IOASZLSFSA-N 1 1 311.426 0.478 10 0 DCAEMO Cc1cc([C@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)[nH]n1 ZINC000407982088 160002243 /nfs/dbraw/zinc/00/22/43/160002243.db2.gz XEHUCQGFCBNAQK-GOEBONIOSA-N 1 1 317.437 0.814 10 0 DCAEMO Cc1cc([C@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)n[nH]1 ZINC000407982088 160002248 /nfs/dbraw/zinc/00/22/48/160002248.db2.gz XEHUCQGFCBNAQK-GOEBONIOSA-N 1 1 317.437 0.814 10 0 DCAEMO Cc1cc([C@H]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)n[nH]1 ZINC000407982088 160002252 /nfs/dbraw/zinc/00/22/52/160002252.db2.gz XEHUCQGFCBNAQK-GOEBONIOSA-N 1 1 317.437 0.814 10 0 DCAEMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCCNC1=O ZINC000407984124 160002807 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COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157695841 523189608 /nfs/dbraw/zinc/18/96/08/523189608.db2.gz XIOOBPNHZSMAJC-NSHDSACASA-N 1 1 312.391 0.801 10 0 DCAEMO COC(=O)Cn1cc(CC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nn1 ZINC000157182864 523391887 /nfs/dbraw/zinc/39/18/87/523391887.db2.gz IFPZOBBKGJJKBM-CJNGLKHVSA-N 1 1 322.409 0.621 10 0 DCAEMO CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@@H+]1CCOC ZINC000119048616 523419266 /nfs/dbraw/zinc/41/92/66/523419266.db2.gz FDBWIHWJZAEKJE-CYBMUJFWSA-N 1 1 322.409 0.307 10 0 DCAEMO CC[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)CC[N@H+]1CCOC ZINC000119048616 523419274 /nfs/dbraw/zinc/41/92/74/523419274.db2.gz FDBWIHWJZAEKJE-CYBMUJFWSA-N 1 1 322.409 0.307 10 0 DCAEMO CC[C@@H]1CN(C[C@H](O)COC(C)(C)C)CC[N@H+]1C[C@@H](C)O ZINC000105912702 523444509 /nfs/dbraw/zinc/44/45/09/523444509.db2.gz VKVXOARDZWWTJQ-KFWWJZLASA-N 1 1 302.459 0.939 10 0 DCAEMO CC[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCN1C[C@@H](C)O ZINC000105912702 523444517 /nfs/dbraw/zinc/44/45/17/523444517.db2.gz 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ZINC000189098696 528018486 /nfs/dbraw/zinc/01/84/86/528018486.db2.gz UQKGEPXTQFECAH-CYBMUJFWSA-N 1 1 310.398 0.616 10 0 DCAEMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC000284866469 536479498 /nfs/dbraw/zinc/47/94/98/536479498.db2.gz DWPXJJUYEYBYBO-UONOGXRCSA-N 1 1 318.377 0.722 10 0 DCAEMO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)NCc1cccnc1 ZINC000173936183 545884599 /nfs/dbraw/zinc/88/45/99/545884599.db2.gz ITIPWQGVINSIOG-HNNXBMFYSA-N 1 1 304.394 0.104 10 0 DCAEMO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)NCc1cccnc1 ZINC000173936183 545884609 /nfs/dbraw/zinc/88/46/09/545884609.db2.gz ITIPWQGVINSIOG-HNNXBMFYSA-N 1 1 304.394 0.104 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)C1 ZINC000332767280 546059541 /nfs/dbraw/zinc/05/95/41/546059541.db2.gz FSRKDVRPVOACAC-UONOGXRCSA-N 1 1 321.425 0.503 10 0 DCAEMO C[C@H]1C[C@@H](O)CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C1 ZINC000333667164 546088778 /nfs/dbraw/zinc/08/87/78/546088778.db2.gz MLORORGJJVIYHM-SLTXQBBLSA-N 1 1 324.469 0.615 10 0 DCAEMO CC(C)(C)n1cc(C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000671492601 547226035 /nfs/dbraw/zinc/22/60/35/547226035.db2.gz WLWDGHQLVQXPAS-OAHLLOKOSA-N 1 1 304.398 0.867 10 0 DCAEMO C[C@](O)(CN1CC[NH+](CCO)CC1)C(F)(F)C(F)(F)F ZINC000724041701 657910172 /nfs/dbraw/zinc/91/01/72/657910172.db2.gz OBFRQGSQFZNTGJ-VIFPVBQESA-N 1 1 306.275 0.545 10 0 DCAEMO CCn1nccc1CC[N@H+]1CCC[C@](O)(Cc2nncn2C)C1 ZINC000888077615 658720325 /nfs/dbraw/zinc/72/03/25/658720325.db2.gz LQAPTKMUEKBNLX-INIZCTEOSA-N 1 1 318.425 0.644 10 0 DCAEMO CCOC(=O)[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000248424452 659106098 /nfs/dbraw/zinc/10/60/98/659106098.db2.gz HSRXJRHOQWZPFI-JKIFEVAISA-N 1 1 323.437 0.914 10 0 DCAEMO CN(C)CCN(C1CCCC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000722221266 659381992 /nfs/dbraw/zinc/38/19/92/659381992.db2.gz YZSWZSQAYLWELD-AWEZNQCLSA-N 1 1 303.472 0.874 10 0 DCAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](C(F)F)C1 ZINC000194254940 659491533 /nfs/dbraw/zinc/49/15/33/659491533.db2.gz JKSXECHWDVCVEZ-RYUDHWBXSA-N 1 1 321.368 0.773 10 0 DCAEMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2=NN(C)C(=O)CC2)C1 ZINC000069819570 665682783 /nfs/dbraw/zinc/68/27/83/665682783.db2.gz CKTCYIUREQTSQH-GFCCVEGCSA-N 1 1 303.366 0.963 10 0 DCAEMO CN1CCN(c2cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237237514 662113563 /nfs/dbraw/zinc/11/35/63/662113563.db2.gz TXHNJWCGZLBKCT-HUUCEWRRSA-N 1 1 317.437 0.691 10 0 DCAEMO CN1CCN(c2cc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237237541 662113763 /nfs/dbraw/zinc/11/37/63/662113763.db2.gz TXHNJWCGZLBKCT-LSDHHAIUSA-N 1 1 317.437 0.691 10 0 DCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc(OC)c1 ZINC000163463075 662846519 /nfs/dbraw/zinc/84/65/19/662846519.db2.gz VBWFXYOZFAPCFF-GDBMZVCRSA-N 1 1 322.405 0.956 10 0 DCAEMO CCOC(=O)c1cnc(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000897535830 662855732 /nfs/dbraw/zinc/85/57/32/662855732.db2.gz PIXWGMDZAPMJDC-PWSUYJOCSA-N 1 1 322.365 0.399 10 0 DCAEMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCn3ccnc3C2)C1 ZINC000900664764 663267942 /nfs/dbraw/zinc/26/79/42/663267942.db2.gz FLLIIELROARVOI-CYBMUJFWSA-N 1 1 320.393 0.500 10 0 DCAEMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCn3ccnc3C2)C1 ZINC000900664764 663267943 /nfs/dbraw/zinc/26/79/43/663267943.db2.gz FLLIIELROARVOI-CYBMUJFWSA-N 1 1 320.393 0.500 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCS(N)(=O)=O ZINC000906855425 663648908 /nfs/dbraw/zinc/64/89/08/663648908.db2.gz IVQSGYYMJNEERH-VXGBXAGGSA-N 1 1 303.428 0.140 10 0 DCAEMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000908195533 663741469 /nfs/dbraw/zinc/74/14/69/663741469.db2.gz QPXFZASYEFYJDS-YXWQFLTLSA-N 1 1 324.446 0.738 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1cn[nH]n1 ZINC000911355737 664035480 /nfs/dbraw/zinc/03/54/80/664035480.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355737 664035483 /nfs/dbraw/zinc/03/54/83/664035483.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1c[nH]nn1 ZINC000911355737 664035487 /nfs/dbraw/zinc/03/54/87/664035487.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355737 664035489 /nfs/dbraw/zinc/03/54/89/664035489.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 1 319.409 0.762 10 0 DCAEMO CO[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1c1cnn[nH]1 ZINC000911355737 664035492 /nfs/dbraw/zinc/03/54/92/664035492.db2.gz QUGYFAUQBDCLKV-PAPYEOQZSA-N 1 1 319.409 0.762 10 0 DCAEMO Cc1cc2c(nc(N3CCOCC3)[nH+]c2NCC(=O)N(C)C)[nH]1 ZINC000223935536 664427747 /nfs/dbraw/zinc/42/77/47/664427747.db2.gz ARVPJRWSDXXCDP-UHFFFAOYSA-N 1 1 318.381 0.603 10 0 DCAEMO CCCC1N=NC(=S)N1CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000730935742 664828589 /nfs/dbraw/zinc/82/85/89/664828589.db2.gz HATHOZOVFWRZCL-NSHDSACASA-N 1 1 311.455 0.977 10 0 DCAEMO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732779693 664960602 /nfs/dbraw/zinc/96/06/02/664960602.db2.gz YTLQPVJFNMRBIN-LBPRGKRZSA-N 1 1 305.426 0.870 10 0 DCAEMO CCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779693 664960603 /nfs/dbraw/zinc/96/06/03/664960603.db2.gz YTLQPVJFNMRBIN-LBPRGKRZSA-N 1 1 305.426 0.870 10 0 DCAEMO COCCN(CCF)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702338086 666944044 /nfs/dbraw/zinc/94/40/44/666944044.db2.gz AQHHGALQXNYVFZ-OAHLLOKOSA-N 1 1 311.401 0.890 10 0 DCAEMO COCCN(CCF)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000702338086 666944046 /nfs/dbraw/zinc/94/40/46/666944046.db2.gz AQHHGALQXNYVFZ-OAHLLOKOSA-N 1 1 311.401 0.890 10 0 DCAEMO COC(=O)c1ccc(C[NH2+]C(C)(C)CNS(C)(=O)=O)o1 ZINC000708370548 667443025 /nfs/dbraw/zinc/44/30/25/667443025.db2.gz CLDKERPZQFDLAE-UHFFFAOYSA-N 1 1 304.368 0.484 10 0 DCAEMO Cn1cnnc1C[C@@]1(O)CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000886065726 667727909 /nfs/dbraw/zinc/72/79/09/667727909.db2.gz RTTAQOMPCRQQCO-HNNXBMFYSA-N 1 1 313.365 0.660 10 0 DCAEMO Cc1noc(-c2ccc(N3CCC[N@@H+](CCO)CC3)nc2)n1 ZINC000742402464 667791038 /nfs/dbraw/zinc/79/10/38/667791038.db2.gz PLDOJHVAEASEIB-UHFFFAOYSA-N 1 1 303.366 0.944 10 0 DCAEMO C[C@H](NC(=O)[C@H](C)N1CC[N@H+](C)[C@@H](CO)C1)c1ccccc1 ZINC000931412494 669199085 /nfs/dbraw/zinc/19/90/85/669199085.db2.gz HZYFUCZLXUOCKK-OFQRWUPVSA-N 1 1 305.422 0.861 10 0 DCAEMO C[C@H](NC(=O)[C@H](C)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccccc1 ZINC000931412494 669199091 /nfs/dbraw/zinc/19/90/91/669199091.db2.gz HZYFUCZLXUOCKK-OFQRWUPVSA-N 1 1 305.422 0.861 10 0 DCAEMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000132027822 669700833 /nfs/dbraw/zinc/70/08/33/669700833.db2.gz ZIWIOBYHRAFCOZ-NSHDSACASA-N 1 1 305.378 0.830 10 0 DCAEMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000132027822 669700836 /nfs/dbraw/zinc/70/08/36/669700836.db2.gz ZIWIOBYHRAFCOZ-NSHDSACASA-N 1 1 305.378 0.830 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000104074867 671906270 /nfs/dbraw/zinc/90/62/70/671906270.db2.gz JTYVTEJMMWHZGS-MNOVXSKESA-N 1 1 318.377 0.310 10 0 DCAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1C(N)=O ZINC000104074867 671906272 /nfs/dbraw/zinc/90/62/72/671906272.db2.gz JTYVTEJMMWHZGS-MNOVXSKESA-N 1 1 318.377 0.310 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000106397323 672323827 /nfs/dbraw/zinc/32/38/27/672323827.db2.gz LLPQXROGZPBJLS-NSHDSACASA-N 1 1 314.817 0.911 10 0 DCAEMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000719642125 685310971 /nfs/dbraw/zinc/31/09/71/685310971.db2.gz MKQPENHZKQXAIR-STQMWFEESA-N 1 1 304.456 0.751 10 0 DCAEMO Cn1cc(C[NH2+]CCN2CCNC2=O)c(Br)n1 ZINC000720644712 685314547 /nfs/dbraw/zinc/31/45/47/685314547.db2.gz DSIPCNQZYPMHRX-UHFFFAOYSA-N 1 1 302.176 0.297 10 0 DCAEMO COCCOCCOCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718981947 685306948 /nfs/dbraw/zinc/30/69/48/685306948.db2.gz YPKABEMSVZGNEL-CQSZACIVSA-N 1 1 303.399 0.751 10 0 DCAEMO COc1cccc([C@H](O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245663104 685158022 /nfs/dbraw/zinc/15/80/22/685158022.db2.gz AHGXATPNLHBEGE-XEZPLFJOSA-N 1 1 322.405 0.642 10 0 DCAEMO COc1cccc([C@H](O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245663104 685158026 /nfs/dbraw/zinc/15/80/26/685158026.db2.gz AHGXATPNLHBEGE-XEZPLFJOSA-N 1 1 322.405 0.642 10 0 DCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN([C@H]3CCOC3=O)CC2)C1 ZINC000247021657 685168939 /nfs/dbraw/zinc/16/89/39/685168939.db2.gz CRKVRMCUNRERAG-GJZGRUSLSA-N 1 1 311.426 0.029 10 0 DCAEMO CC(C)[C@@H]1C[C@H]1C(=O)NNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249425640 685180360 /nfs/dbraw/zinc/18/03/60/685180360.db2.gz ILEKHGYEFJCVHF-RFQIPJPRSA-N 1 1 311.426 0.925 10 0 DCAEMO CC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000250514019 685184905 /nfs/dbraw/zinc/18/49/05/685184905.db2.gz DSBDOOUGOGSBEN-KGLIPLIRSA-N 1 1 302.440 0.959 10 0 DCAEMO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200436 1173931119 /nfs/dbraw/zinc/93/11/19/1173931119.db2.gz REAJFYOJISTXTN-DGCLKSJQSA-N 1 1 317.455 0.305 10 0 DCAEMO COCCn1nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1=O ZINC000127845775 1177325438 /nfs/dbraw/zinc/32/54/38/1177325438.db2.gz BIZCFTBUPCTNEI-STQMWFEESA-N 1 1 322.409 0.444 10 0 DCAEMO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000245857579 1182941955 /nfs/dbraw/zinc/94/19/55/1182941955.db2.gz GVFWPNGFULNAJG-LSDHHAIUSA-N 1 1 314.426 0.391 10 0 DCAEMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2ncc[nH]2)C1 ZINC000079004689 185145456 /nfs/dbraw/zinc/14/54/56/185145456.db2.gz HBNGMGHOYOLXJG-LBPRGKRZSA-N 1 1 312.439 0.975 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000181799262 199353806 /nfs/dbraw/zinc/35/38/06/199353806.db2.gz DYHCUNIJPLMPGH-JSGCOSHPSA-N 1 1 323.441 0.888 10 0 DCAEMO Cn1cc(C(=O)NCC[N@@H+]2CC=CCC2)c([C@@H]2CCOC2)n1 ZINC000279779162 215140151 /nfs/dbraw/zinc/14/01/51/215140151.db2.gz CEIQZRSKRLPNES-CYBMUJFWSA-N 1 1 304.394 0.916 10 0 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CN(CC[N@@H+](C)C1CC1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000186791351 396358623 /nfs/dbraw/zinc/35/86/23/396358623.db2.gz GCSDBPGFQJRWSG-ZDUSSCGKSA-N 1 1 303.472 0.684 10 0 DCAEMO C[N@@H+](CCNC(=O)N1CC(NC(=O)C2CC2)C1)C1CCCC1 ZINC000187031627 396362361 /nfs/dbraw/zinc/36/23/61/396362361.db2.gz DDBDAMNFWRQNRG-UHFFFAOYSA-N 1 1 308.426 0.781 10 0 DCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187076762 396363154 /nfs/dbraw/zinc/36/31/54/396363154.db2.gz HJZYNTDIFWWTAV-CQSZACIVSA-N 1 1 308.426 0.781 10 0 DCAEMO C[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)CC[N@H+]1CCO ZINC000187656485 396372260 /nfs/dbraw/zinc/37/22/60/396372260.db2.gz SQDBQWCRMDMMRH-AWEZNQCLSA-N 1 1 301.394 0.766 10 0 DCAEMO Cc1cc(C)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c(=O)[nH]1 ZINC000285390416 396349818 /nfs/dbraw/zinc/34/98/18/396349818.db2.gz XDCAMGZHCXGIEK-CHWSQXEVSA-N 1 1 305.378 0.949 10 0 DCAEMO COc1ccc(F)cc1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188810887 396387529 /nfs/dbraw/zinc/38/75/29/396387529.db2.gz OMXGOMZLVUBOTG-GFCCVEGCSA-N 1 1 310.369 0.902 10 0 DCAEMO COc1ccc(F)cc1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188810887 396387531 /nfs/dbraw/zinc/38/75/31/396387531.db2.gz OMXGOMZLVUBOTG-GFCCVEGCSA-N 1 1 310.369 0.902 10 0 DCAEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]c(=S)[nH]2)CC1 ZINC000193081912 396443551 /nfs/dbraw/zinc/44/35/51/396443551.db2.gz LSUOVSZWXQDCBA-LBPRGKRZSA-N 1 1 323.466 0.941 10 0 DCAEMO Cc1cc(N2CCN(C(=O)[C@@H](C)[NH+]3CCSCC3)CC2)n[nH]1 ZINC000189749079 396398468 /nfs/dbraw/zinc/39/84/68/396398468.db2.gz PSUOQIMWICYDFS-CYBMUJFWSA-N 1 1 323.466 0.804 10 0 DCAEMO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191076832 396415055 /nfs/dbraw/zinc/41/50/55/396415055.db2.gz PKDMZMDGWVLAOG-UHFFFAOYSA-N 1 1 316.814 0.786 10 0 DCAEMO CN1CCC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1=O ZINC000191131524 396416040 /nfs/dbraw/zinc/41/60/40/396416040.db2.gz YQRCUVZLOHDYPU-UHFFFAOYSA-N 1 1 308.357 0.901 10 0 DCAEMO Nc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)ccn1 ZINC000191402973 396418713 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/nfs/dbraw/zinc/40/80/56/396408056.db2.gz XBSRZJAJPOJTEQ-OAHLLOKOSA-N 1 1 317.389 0.536 10 0 DCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCS[C@H](C)CC1 ZINC000192174813 396430103 /nfs/dbraw/zinc/43/01/03/396430103.db2.gz MCRGZIZMGWMFFV-NEPJUHHUSA-N 1 1 313.467 0.939 10 0 DCAEMO C[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000192491418 396431706 /nfs/dbraw/zinc/43/17/06/396431706.db2.gz UAAUTJHIGKWCBV-GUTXKFCHSA-N 1 1 306.410 0.972 10 0 DCAEMO CC(C)[NH+]1CCN(CCCN2CCO[C@]3(CCOC3)C2)CC1 ZINC000192801289 396438019 /nfs/dbraw/zinc/43/80/19/396438019.db2.gz HIHQSQWGHLIYEF-QGZVFWFLSA-N 1 1 311.470 0.894 10 0 DCAEMO CN(C)S(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192937469 396441056 /nfs/dbraw/zinc/44/10/56/396441056.db2.gz HEKKYTCWKUGVAF-CQSZACIVSA-N 1 1 312.439 0.642 10 0 DCAEMO Cn1c2ccccc2cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)c1=O ZINC000515178505 396500220 /nfs/dbraw/zinc/50/02/20/396500220.db2.gz SDXOQTURNVZRHQ-CQSZACIVSA-N 1 1 315.373 0.615 10 0 DCAEMO 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C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000610662384 396745248 /nfs/dbraw/zinc/74/52/48/396745248.db2.gz FRVHMTAJLBYDEH-UWVGGRQHSA-N 1 1 306.370 0.376 10 0 DCAEMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000610662384 396745250 /nfs/dbraw/zinc/74/52/50/396745250.db2.gz FRVHMTAJLBYDEH-UWVGGRQHSA-N 1 1 306.370 0.376 10 0 DCAEMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH]1 ZINC000590314131 396757483 /nfs/dbraw/zinc/75/74/83/396757483.db2.gz BRFYZHFXIXOXJS-ZDUSSCGKSA-N 1 1 306.410 0.949 10 0 DCAEMO CC[N@@H+](CC(=O)N1CC(N2CCn3c(C)nnc3C2)C1)C1CC1 ZINC000328626257 396824593 /nfs/dbraw/zinc/82/45/93/396824593.db2.gz DYJPTUMWHNAERI-UHFFFAOYSA-N 1 1 318.425 0.097 10 0 DCAEMO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000332840042 396897056 /nfs/dbraw/zinc/89/70/56/396897056.db2.gz JIOWHNIYXBLUPH-MGPQQGTHSA-N 1 1 308.426 0.733 10 0 DCAEMO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000332944256 396910801 /nfs/dbraw/zinc/91/08/01/396910801.db2.gz VSZKOHSPXPVNJO-LRDDRELGSA-N 1 1 311.426 0.349 10 0 DCAEMO C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](CC(N)=O)C1)c1ccco1 ZINC000376801022 396980506 /nfs/dbraw/zinc/98/05/06/396980506.db2.gz OMXVOUAFPVYNJR-NEPJUHHUSA-N 1 1 308.382 0.789 10 0 DCAEMO c1c(CNC[C@@H]2CC[N@H+](C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631040795 397160032 /nfs/dbraw/zinc/16/00/32/397160032.db2.gz VJHVKNWEUYUBSV-KBPBESRZSA-N 1 1 305.426 0.889 10 0 DCAEMO c1c(C[NH2+]CCNc2cnccn2)nnn1C[C@@H]1CCOC1 ZINC000631090671 397168197 /nfs/dbraw/zinc/16/81/97/397168197.db2.gz MCWKHLPFGLKMKH-LBPRGKRZSA-N 1 1 303.370 0.306 10 0 DCAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000377944135 397168866 /nfs/dbraw/zinc/16/88/66/397168866.db2.gz OQORVZLVJNGCNL-LSDHHAIUSA-N 1 1 323.437 0.757 10 0 DCAEMO CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614108149 397384477 /nfs/dbraw/zinc/38/44/77/397384477.db2.gz UVVBUDUWTVNFEL-SOUVJXGZSA-N 1 1 311.401 0.890 10 0 DCAEMO 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/nfs/dbraw/zinc/50/88/43/396508843.db2.gz ARMKGJIZBFZRDD-LBPRGKRZSA-N 1 1 316.409 0.943 10 0 DCAEMO CC(C)(C)c1nnc2ccc(N3CC[N@H+]4CCOC[C@@H]4C3)nn21 ZINC000372335836 396508846 /nfs/dbraw/zinc/50/88/46/396508846.db2.gz ARMKGJIZBFZRDD-LBPRGKRZSA-N 1 1 316.409 0.943 10 0 DCAEMO COC(=O)CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594793962 396516679 /nfs/dbraw/zinc/51/66/79/396516679.db2.gz XNFRGWGHDLQPRK-LLVKDONJSA-N 1 1 306.428 0.732 10 0 DCAEMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC23CCC3)CC1 ZINC000373107074 396566504 /nfs/dbraw/zinc/56/65/04/396566504.db2.gz PEPLVPYNIRMVRY-UHFFFAOYSA-N 1 1 308.426 0.879 10 0 DCAEMO CC[C@H]1CN(c2ncccc2C(=O)NC)CC[N@H+]1CCOC ZINC000301419690 396716541 /nfs/dbraw/zinc/71/65/41/396716541.db2.gz RVVAGBQAECPKIG-ZDUSSCGKSA-N 1 1 306.410 0.988 10 0 DCAEMO NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375468850 396753042 /nfs/dbraw/zinc/75/30/42/396753042.db2.gz KOTIKXJCZRQGTJ-SNVBAGLBSA-N 1 1 307.354 0.711 10 0 DCAEMO 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CCCCCCOCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000730841476 664819529 /nfs/dbraw/zinc/81/95/29/664819529.db2.gz AIDUIIXTHPXCPN-UHFFFAOYSA-N 1 1 313.442 0.816 10 0 DCAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1COCCN1 ZINC000261543401 665399242 /nfs/dbraw/zinc/39/92/42/665399242.db2.gz HRMYWUPUZOBLAR-HZPDHXFCSA-N 1 1 303.406 0.756 10 0 DCAEMO CC[S@](=O)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000735091073 666949823 /nfs/dbraw/zinc/94/98/23/666949823.db2.gz VTCRSSLZFDADSQ-ZNLKAECVSA-N 1 1 319.471 0.554 10 0 DCAEMO CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702404426 666954621 /nfs/dbraw/zinc/95/46/21/666954621.db2.gz ZHDUHVOWLHXTJL-OCCSQVGLSA-N 1 1 307.394 0.514 10 0 DCAEMO CCOC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000702404426 666954623 /nfs/dbraw/zinc/95/46/23/666954623.db2.gz ZHDUHVOWLHXTJL-OCCSQVGLSA-N 1 1 307.394 0.514 10 0 DCAEMO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000709204712 667445001 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/nfs/dbraw/zinc/94/96/33/395949633.db2.gz NMTQQJRYXYNAJF-WCQYABFASA-N 1 1 320.393 0.874 10 0 DCAEMO C[C@H]1CN(Cc2nnc(C3CC3)n2C)C[C@H]1[NH+]1CCOCC1 ZINC000246428211 395950007 /nfs/dbraw/zinc/95/00/07/395950007.db2.gz LARVBZPQZOAYLH-GXTWGEPZSA-N 1 1 305.426 0.845 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1C ZINC000246854760 395959448 /nfs/dbraw/zinc/95/94/48/395959448.db2.gz VEPAFCWSEABXMB-ILXRZTDVSA-N 1 1 314.426 0.486 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccccn1 ZINC000246911275 395961039 /nfs/dbraw/zinc/96/10/39/395961039.db2.gz IILPJSSUCAJQHJ-KGLIPLIRSA-N 1 1 316.405 0.897 10 0 DCAEMO COC(=O)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000246970663 395962506 /nfs/dbraw/zinc/96/25/06/395962506.db2.gz LWOVSIRCVCOYBU-ZIAGYGMSSA-N 1 1 306.362 0.738 10 0 DCAEMO COC(=O)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000246970663 395962508 /nfs/dbraw/zinc/96/25/08/395962508.db2.gz LWOVSIRCVCOYBU-ZIAGYGMSSA-N 1 1 306.362 0.738 10 0 DCAEMO 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CCCCOCCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000184973771 396312740 /nfs/dbraw/zinc/31/27/40/396312740.db2.gz MVFKKOGQKANBTO-CQSZACIVSA-N 1 1 301.431 0.901 10 0 DCAEMO Cn1nccc1CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000185114675 396317779 /nfs/dbraw/zinc/31/77/79/396317779.db2.gz ILHQTOVUDTZHJT-HNNXBMFYSA-N 1 1 308.426 0.706 10 0 DCAEMO Cn1nccc1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000185162438 396320508 /nfs/dbraw/zinc/32/05/08/396320508.db2.gz CWHPQTXGNSFVRH-UHFFFAOYSA-N 1 1 322.457 0.635 10 0 DCAEMO CNC(=O)CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000186023410 396339367 /nfs/dbraw/zinc/33/93/67/396339367.db2.gz FPVYTSPUVBFKEM-UHFFFAOYSA-N 1 1 305.378 0.636 10 0 DCAEMO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CCO1 ZINC000185749189 396334394 /nfs/dbraw/zinc/33/43/94/396334394.db2.gz KBPPKESZNBBFFP-CQSZACIVSA-N 1 1 315.377 0.874 10 0 DCAEMO CCOC(=O)c1nn(C)cc1CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000186218327 396344819 /nfs/dbraw/zinc/34/48/19/396344819.db2.gz JVSRTPLVOWZYDU-CYBMUJFWSA-N 1 1 324.425 0.749 10 0 DCAEMO CNC(=O)CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000186103278 396341089 /nfs/dbraw/zinc/34/10/89/396341089.db2.gz RAIWQJSUZJBLSH-ZDUSSCGKSA-N 1 1 318.377 0.211 10 0 DCAEMO CNC(=O)CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000186103278 396341092 /nfs/dbraw/zinc/34/10/92/396341092.db2.gz RAIWQJSUZJBLSH-ZDUSSCGKSA-N 1 1 318.377 0.211 10 0 DCAEMO C[C@H]1CN(CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1CCO ZINC000187649433 396372364 /nfs/dbraw/zinc/37/23/64/396372364.db2.gz PMXRSQDUSKPCRM-ZDUSSCGKSA-N 1 1 317.389 0.281 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(Cc2noc(C3CCOCC3)n2)[C@H](C)C1 ZINC000189926998 396400744 /nfs/dbraw/zinc/40/07/44/396400744.db2.gz BYRLTBKDVYEUDF-CHWSQXEVSA-N 1 1 324.425 0.851 10 0 DCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccn(C)c1=O ZINC000190085511 396402032 /nfs/dbraw/zinc/40/20/32/396402032.db2.gz YBIRJZRNFHEARP-VXGBXAGGSA-N 1 1 318.377 0.019 10 0 DCAEMO C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1CCO ZINC000190244179 396403567 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C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cn1c2cnccc2n(C)c1=O ZINC000160832314 658492344 /nfs/dbraw/zinc/49/23/44/658492344.db2.gz ZSSPBNQWOVHIKC-CHWSQXEVSA-N 1 1 301.394 0.861 10 0 DCAEMO [NH3+]Cc1nc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000262179562 658678659 /nfs/dbraw/zinc/67/86/59/658678659.db2.gz INVQWFLWTNNQBI-GHMZBOCLSA-N 1 1 324.406 0.914 10 0 DCAEMO Cc1nc2c(nccc2C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)[nH]1 ZINC000333136526 659770868 /nfs/dbraw/zinc/77/08/68/659770868.db2.gz JLWAQNSYXWQTRR-MNOVXSKESA-N 1 1 317.393 0.793 10 0 DCAEMO Cc1nc2c(nccc2C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[nH]1 ZINC000333136526 659770870 /nfs/dbraw/zinc/77/08/70/659770870.db2.gz JLWAQNSYXWQTRR-MNOVXSKESA-N 1 1 317.393 0.793 10 0 DCAEMO C[C@@H]1CN(C[C@@H](O)c2cc(F)ccc2F)CC[N@H+]1CCO ZINC000249577043 661550733 /nfs/dbraw/zinc/55/07/33/661550733.db2.gz PTDXOKJFZDQPJR-IAQYHMDHSA-N 1 1 300.349 0.997 10 0 DCAEMO Cc1csc(NCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000909445935 662097346 /nfs/dbraw/zinc/09/73/46/662097346.db2.gz ROTVFWTXCRGCLI-RYUDHWBXSA-N 1 1 310.423 0.843 10 0 DCAEMO O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000040861607 663051023 /nfs/dbraw/zinc/05/10/23/663051023.db2.gz DWOPUPBCVYLIIT-VIFPVBQESA-N 1 1 301.334 0.411 10 0 DCAEMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@H]1CO ZINC000912415003 664169203 /nfs/dbraw/zinc/16/92/03/664169203.db2.gz AWVRWXAKGBBCHQ-HZPDHXFCSA-N 1 1 304.390 0.728 10 0 DCAEMO C[C@@H]1CN(C(=O)NCCc2ccnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000185009893 666318650 /nfs/dbraw/zinc/31/86/50/666318650.db2.gz PNXBTACBWQDTJW-UKRRQHHQSA-N 1 1 321.425 0.325 10 0 DCAEMO CC[N@@H+]1CCC[C@@H](NC(=O)N(CCS(C)(=O)=O)C(C)C)C1 ZINC000130948230 669647400 /nfs/dbraw/zinc/64/74/00/669647400.db2.gz LEAIJHCUGQWZDE-CYBMUJFWSA-N 1 1 319.471 0.935 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(CCS(C)(=O)=O)C(C)C)C1 ZINC000130948230 669647404 /nfs/dbraw/zinc/64/74/04/669647404.db2.gz LEAIJHCUGQWZDE-CYBMUJFWSA-N 1 1 319.471 0.935 10 0 DCAEMO C[C@H]1CN(C[C@H](O)c2c(F)cccc2F)CC[N@H+]1CCO ZINC000187694840 669948271 /nfs/dbraw/zinc/94/82/71/669948271.db2.gz XHHIBYMWOQGNLR-FZMZJTMJSA-N 1 1 300.349 0.997 10 0 DCAEMO Cn1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(Br)n1 ZINC000713837893 670170559 /nfs/dbraw/zinc/17/05/59/670170559.db2.gz AWEQFTAKOGKTPG-MRVPVSSYSA-N 1 1 301.188 0.880 10 0 DCAEMO Cn1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c(Br)n1 ZINC000713837893 670170560 /nfs/dbraw/zinc/17/05/60/670170560.db2.gz AWEQFTAKOGKTPG-MRVPVSSYSA-N 1 1 301.188 0.880 10 0 DCAEMO CNC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000713826906 670170182 /nfs/dbraw/zinc/17/01/82/670170182.db2.gz DZTCCYNDMCRZBE-QMMMGPOBSA-N 1 1 301.188 0.751 10 0 DCAEMO CNC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2Br)C1 ZINC000713826906 670170185 /nfs/dbraw/zinc/17/01/85/670170185.db2.gz DZTCCYNDMCRZBE-QMMMGPOBSA-N 1 1 301.188 0.751 10 0 DCAEMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCC(C)(C)C2CC2)C1 ZINC000718013560 685304854 /nfs/dbraw/zinc/30/48/54/685304854.db2.gz HMSNRHRNUPPJQH-CQSZACIVSA-N 1 1 304.456 0.799 10 0 DCAEMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](C3OCCO3)C2)C1 ZINC000719001753 685306540 /nfs/dbraw/zinc/30/65/40/685306540.db2.gz QUUSNKYWDXOGCA-CHWSQXEVSA-N 1 1 318.439 0.353 10 0 DCAEMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)C3=CCCC3)cn2)CC1 ZINC000155187223 685135386 /nfs/dbraw/zinc/13/53/86/685135386.db2.gz KBDAQTUYKRTGJG-UHFFFAOYSA-N 1 1 317.393 0.706 10 0 DCAEMO CC(C)CN1C(=O)C(=O)N(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1=O ZINC000247032542 685168625 /nfs/dbraw/zinc/16/86/25/685168625.db2.gz KGWLILRBTLCJMW-STQMWFEESA-N 1 1 322.409 0.559 10 0 DCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1C ZINC000248667826 685176109 /nfs/dbraw/zinc/17/61/09/685176109.db2.gz AFIHYADILOCNLP-QWRGUYRKSA-N 1 1 316.352 0.675 10 0 DCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1C ZINC000248667826 685176112 /nfs/dbraw/zinc/17/61/12/685176112.db2.gz AFIHYADILOCNLP-QWRGUYRKSA-N 1 1 316.352 0.675 10 0 DCAEMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000161899534 1181294159 /nfs/dbraw/zinc/29/41/59/1181294159.db2.gz LOZKBPWZMGNPSC-VXGBXAGGSA-N 1 1 310.398 0.069 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000246460711 1183098066 /nfs/dbraw/zinc/09/80/66/1183098066.db2.gz GAWYZUXLPKODCN-ZFWWWQNUSA-N 1 1 324.469 0.372 10 0 DCAEMO O=S(=O)(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152101 774151888 /nfs/dbraw/zinc/15/18/88/774151888.db2.gz HQAHXTGQXIBGGT-CQSZACIVSA-N 1 1 309.435 0.542 10 0 DCAEMO O=S(=O)(NC[C@H]1CCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000405152101 774151890 /nfs/dbraw/zinc/15/18/90/774151890.db2.gz HQAHXTGQXIBGGT-CQSZACIVSA-N 1 1 309.435 0.542 10 0 DCAEMO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CC2 ZINC000105234895 282121192 /nfs/dbraw/zinc/12/11/92/282121192.db2.gz VZGXZTQXYKCAHQ-ZIAGYGMSSA-N 1 1 318.425 0.781 10 0 DCAEMO CCc1nc(CN2CCN(c3cc[nH+]cc3C(N)=O)CC2)no1 ZINC000302126082 529736930 /nfs/dbraw/zinc/73/69/30/529736930.db2.gz AOGDEMMWZQNZMK-UHFFFAOYSA-N 1 1 316.365 0.448 10 0 DCAEMO COCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106902214 185461501 /nfs/dbraw/zinc/46/15/01/185461501.db2.gz QRMXLTJVZFFWLW-AWEZNQCLSA-N 1 1 307.394 0.038 10 0 DCAEMO C[C@@H]1CN(C(=O)NCCc2cccnc2)C[C@H]1[NH+]1CCOCC1 ZINC000175653229 186185210 /nfs/dbraw/zinc/18/52/10/186185210.db2.gz UGVMNZTYNZZRMU-GDBMZVCRSA-N 1 1 318.421 0.986 10 0 DCAEMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C)CC1 ZINC000177910697 186202485 /nfs/dbraw/zinc/20/24/85/186202485.db2.gz JVUZYGLBWMGANL-AWEZNQCLSA-N 1 1 319.405 0.849 10 0 DCAEMO NC(=O)c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000171901394 198005549 /nfs/dbraw/zinc/00/55/49/198005549.db2.gz SIDXINOSWHWTAN-AWEZNQCLSA-N 1 1 302.378 0.775 10 0 DCAEMO C[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2ccccn2)CC[N@H+]1C ZINC000172992173 198174892 /nfs/dbraw/zinc/17/48/92/198174892.db2.gz XULNYPZAIWBDJF-STQMWFEESA-N 1 1 304.394 0.753 10 0 DCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2cccc(C=O)c2)C[C@@H]1C ZINC000174332582 198321474 /nfs/dbraw/zinc/32/14/74/198321474.db2.gz NUOIOZRBGJYMDE-UONOGXRCSA-N 1 1 320.389 0.791 10 0 DCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2cccc(C=O)c2)C[C@@H]1C ZINC000174332582 198321476 /nfs/dbraw/zinc/32/14/76/198321476.db2.gz NUOIOZRBGJYMDE-UONOGXRCSA-N 1 1 320.389 0.791 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)n1 ZINC000174771614 198382345 /nfs/dbraw/zinc/38/23/45/198382345.db2.gz JMLUGRXCDALKCZ-HUUCEWRRSA-N 1 1 322.409 0.058 10 0 DCAEMO Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)n1 ZINC000174771614 198382346 /nfs/dbraw/zinc/38/23/46/198382346.db2.gz JMLUGRXCDALKCZ-HUUCEWRRSA-N 1 1 322.409 0.058 10 0 DCAEMO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1=O ZINC000179481237 283049086 /nfs/dbraw/zinc/04/90/86/283049086.db2.gz JJABCYZWIRDDMU-ZBFHGGJFSA-N 1 1 316.405 0.915 10 0 DCAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H]2C1 ZINC000408040227 283085416 /nfs/dbraw/zinc/08/54/16/283085416.db2.gz FPTREKZMBRCYBG-OLZOCXBDSA-N 1 1 311.426 0.470 10 0 DCAEMO CCC[N@H+](CC(=O)N(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085787671 283085446 /nfs/dbraw/zinc/08/54/46/283085446.db2.gz XKJXSEDFYDDYNI-CYBMUJFWSA-N 1 1 319.471 0.458 10 0 DCAEMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1C(N)=O ZINC000005115715 181204934 /nfs/dbraw/zinc/20/49/34/181204934.db2.gz LPLBKXARLUPNDA-UHFFFAOYSA-N 1 1 303.322 0.348 10 0 DCAEMO CCC[N@H+](CC(=O)OC)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093701139 283122913 /nfs/dbraw/zinc/12/29/13/283122913.db2.gz BXCKBVODRUTDNX-LBPRGKRZSA-N 1 1 306.428 0.543 10 0 DCAEMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000179408467 199029801 /nfs/dbraw/zinc/02/98/01/199029801.db2.gz LPHASOIPWQHVGX-CQSZACIVSA-N 1 1 305.378 0.314 10 0 DCAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186835138 237326054 /nfs/dbraw/zinc/32/60/54/237326054.db2.gz XSXRBRZXIJJHJN-CYBMUJFWSA-N 1 1 314.451 0.568 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CC[N@@H+]1CCO ZINC000187130181 237340773 /nfs/dbraw/zinc/34/07/73/237340773.db2.gz ILCHPKZOSMWWQE-LLVKDONJSA-N 1 1 306.366 0.316 10 0 DCAEMO C[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2)CC[N@H+]1CCO ZINC000187130181 237340781 /nfs/dbraw/zinc/34/07/81/237340781.db2.gz ILCHPKZOSMWWQE-LLVKDONJSA-N 1 1 306.366 0.316 10 0 DCAEMO Cc1noc(CCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)n1 ZINC000158462966 291231441 /nfs/dbraw/zinc/23/14/41/291231441.db2.gz UAAYTJNQOSPYBB-NSHDSACASA-N 1 1 311.386 0.188 10 0 DCAEMO C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275445361 212336081 /nfs/dbraw/zinc/33/60/81/212336081.db2.gz WBVBMZRIXWMYAU-UONOGXRCSA-N 1 1 321.425 0.465 10 0 DCAEMO CN(C)c1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000425218673 240317759 /nfs/dbraw/zinc/31/77/59/240317759.db2.gz ZCNNRCCVGQRVDE-GXTWGEPZSA-N 1 1 324.450 0.862 10 0 DCAEMO C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)N1CCOCC1 ZINC000275307624 212263334 /nfs/dbraw/zinc/26/33/34/212263334.db2.gz HPHWTFBPWISPRM-KGLIPLIRSA-N 1 1 321.425 0.465 10 0 DCAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1n[nH]cc1Br ZINC000567905092 291389961 /nfs/dbraw/zinc/38/99/61/291389961.db2.gz BEEGUFIWJDQZRC-MUWHJKNJSA-N 1 1 303.160 0.165 10 0 DCAEMO COCCn1cc(CNC(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000282562712 217091573 /nfs/dbraw/zinc/09/15/73/217091573.db2.gz VAVCDXGLMQYBHY-UHFFFAOYSA-N 1 1 307.398 0.519 10 0 DCAEMO COCCCNc1[nH+]cnc(N(CCOC)CCOC)c1N ZINC000040751943 183128902 /nfs/dbraw/zinc/12/89/02/183128902.db2.gz ZDKJPZXZCGLJOW-UHFFFAOYSA-N 1 1 313.402 0.606 10 0 DCAEMO CN1CCO[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000105077707 194069974 /nfs/dbraw/zinc/06/99/74/194069974.db2.gz UYEBTHLLYIJYFZ-STQMWFEESA-N 1 1 310.398 0.512 10 0 DCAEMO CC[C@@H]1CN(CC(=O)NCc2ccco2)CC[N@H+]1C[C@@H](C)O ZINC000105825325 194138765 /nfs/dbraw/zinc/13/87/65/194138765.db2.gz ZLIQVIRCLUVJGO-ZIAGYGMSSA-N 1 1 309.410 0.673 10 0 DCAEMO CCOCCN1CC[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105835389 194143347 /nfs/dbraw/zinc/14/33/47/194143347.db2.gz RTYMFIZRXTYWHF-HNNXBMFYSA-N 1 1 313.442 0.278 10 0 DCAEMO CCOCC[N@@H+]1CCN(CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105835389 194143349 /nfs/dbraw/zinc/14/33/49/194143349.db2.gz RTYMFIZRXTYWHF-HNNXBMFYSA-N 1 1 313.442 0.278 10 0 DCAEMO CCOCC[N@H+]1CCN(CCC(=O)N2CCOCC2)C[C@@H]1C ZINC000105835389 194143350 /nfs/dbraw/zinc/14/33/50/194143350.db2.gz RTYMFIZRXTYWHF-HNNXBMFYSA-N 1 1 313.442 0.278 10 0 DCAEMO COCCCNC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910375 194166227 /nfs/dbraw/zinc/16/62/27/194166227.db2.gz KZYIERCKTRKKNX-UHFFFAOYSA-N 1 1 321.425 0.530 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC000106393120 194205642 /nfs/dbraw/zinc/20/56/42/194205642.db2.gz CKAJMPQFWXDJNO-AWEZNQCLSA-N 1 1 305.378 0.540 10 0 DCAEMO COCCOCCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110956812 194374114 /nfs/dbraw/zinc/37/41/14/194374114.db2.gz YZYJFFNBLRVOKX-HNNXBMFYSA-N 1 1 314.426 0.753 10 0 DCAEMO O=C1CNC(=O)N1CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065473978 184351490 /nfs/dbraw/zinc/35/14/90/184351490.db2.gz NWLBYRKDZOTXCY-CYBMUJFWSA-N 1 1 317.393 0.757 10 0 DCAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246989198 285194050 /nfs/dbraw/zinc/19/40/50/285194050.db2.gz LITHBAPKZUIEDB-VXGBXAGGSA-N 1 1 303.428 0.011 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC000176972812 285270464 /nfs/dbraw/zinc/27/04/64/285270464.db2.gz KDCAILNUQRYRFJ-NSHDSACASA-N 1 1 305.444 0.257 10 0 DCAEMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000175370159 285285865 /nfs/dbraw/zinc/28/58/65/285285865.db2.gz DUYOIAINDQYJFF-JKSUJKDBSA-N 1 1 324.469 0.977 10 0 DCAEMO CS(=O)(=O)N[C@@H]1COC[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000247558971 257119441 /nfs/dbraw/zinc/11/94/41/257119441.db2.gz YFJDZYAQZZVRRB-RAIGVLPGSA-N 1 1 316.448 0.744 10 0 DCAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cc(C)on3)C[C@H]2[N@@H+]1C(C)C ZINC000253480054 257105562 /nfs/dbraw/zinc/10/55/62/257105562.db2.gz UQWBPZSQTXBNET-FPMFFAJLSA-N 1 1 320.393 0.652 10 0 DCAEMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cc(C)on3)C[C@H]2[N@H+]1C(C)C ZINC000253480054 257105563 /nfs/dbraw/zinc/10/55/63/257105563.db2.gz UQWBPZSQTXBNET-FPMFFAJLSA-N 1 1 320.393 0.652 10 0 DCAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000336829767 285361270 /nfs/dbraw/zinc/36/12/70/285361270.db2.gz AXCRRSSEGCOFLO-HBNTYKKESA-N 1 1 301.305 0.398 10 0 DCAEMO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000336829764 285361198 /nfs/dbraw/zinc/36/11/98/285361198.db2.gz AXCRRSSEGCOFLO-AXFHLTTASA-N 1 1 301.305 0.398 10 0 DCAEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000246527694 285388706 /nfs/dbraw/zinc/38/87/06/285388706.db2.gz VOPMTURDWONAIG-AVGNSLFASA-N 1 1 319.471 0.791 10 0 DCAEMO COc1cccc(CNC(=O)CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000187704168 533490618 /nfs/dbraw/zinc/49/06/18/533490618.db2.gz BHPYRYLEILHTSW-CQSZACIVSA-N 1 1 321.421 0.310 10 0 DCAEMO COc1cccc(CNC(=O)CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000187704168 533490622 /nfs/dbraw/zinc/49/06/22/533490622.db2.gz BHPYRYLEILHTSW-CQSZACIVSA-N 1 1 321.421 0.310 10 0 DCAEMO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCOC[C@H]1c1nnc[nH]1 ZINC000329189362 304290532 /nfs/dbraw/zinc/29/05/32/304290532.db2.gz QRIOBULOCMXEJU-QWHCGFSZSA-N 1 1 305.382 0.579 10 0 DCAEMO CN(CC(=O)NC(C)(C)C)C(=O)NCCC[NH+]1CCOCC1 ZINC000135812706 545806168 /nfs/dbraw/zinc/80/61/68/545806168.db2.gz DGWVIOXADRXUNH-UHFFFAOYSA-N 1 1 314.430 0.265 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(N(C)C)nc2)C1 ZINC000163802222 132122626 /nfs/dbraw/zinc/12/26/26/132122626.db2.gz SQWSOJRRCGTSFQ-LLVKDONJSA-N 1 1 320.397 0.082 10 0 DCAEMO CCC[C@@H](C(=O)N1CCO[C@@H](c2nnc(CC)[nH]2)C1)[NH+](C)C ZINC000122370228 132165317 /nfs/dbraw/zinc/16/53/17/132165317.db2.gz FGPXSZPLPOXPNP-NWDGAFQWSA-N 1 1 309.414 0.997 10 0 DCAEMO CCOc1ccc2nc(C(=O)N3CC[NH+](CC)CC3)cn2n1 ZINC000097938800 395761312 /nfs/dbraw/zinc/76/13/12/395761312.db2.gz JGQCLSOLBOMPIN-UHFFFAOYSA-N 1 1 303.366 0.906 10 0 DCAEMO COCc1ccccc1CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193615283 395773987 /nfs/dbraw/zinc/77/39/87/395773987.db2.gz 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ZINC000116789232 395846355 /nfs/dbraw/zinc/84/63/55/395846355.db2.gz NMESUXGALDSEJF-SJORKVTESA-N 1 1 319.449 0.948 10 0 DCAEMO CCOCC[N@@H+]1CCN(S(=O)(=O)CCCOC)C[C@@H]1CC ZINC000116899158 395848522 /nfs/dbraw/zinc/84/85/22/395848522.db2.gz ZHWGJIAYSGNICE-AWEZNQCLSA-N 1 1 322.471 0.785 10 0 DCAEMO CCOCC[N@H+]1CCN(S(=O)(=O)CCCOC)C[C@@H]1CC ZINC000116899158 395848526 /nfs/dbraw/zinc/84/85/26/395848526.db2.gz ZHWGJIAYSGNICE-AWEZNQCLSA-N 1 1 322.471 0.785 10 0 DCAEMO Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cc1F ZINC000225480281 395860855 /nfs/dbraw/zinc/86/08/55/395860855.db2.gz FNULQHYQSSJEEO-INIZCTEOSA-N 1 1 323.368 0.063 10 0 DCAEMO Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@](O)(C(N)=O)C2)cc1F ZINC000225480281 395860857 /nfs/dbraw/zinc/86/08/57/395860857.db2.gz FNULQHYQSSJEEO-INIZCTEOSA-N 1 1 323.368 0.063 10 0 DCAEMO CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000194626685 395802187 /nfs/dbraw/zinc/80/21/87/395802187.db2.gz SORQKOVXUWAQRD-GFCCVEGCSA-N 1 1 322.409 0.452 10 0 DCAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000245458701 395929440 /nfs/dbraw/zinc/92/94/40/395929440.db2.gz CZURLHIIRRWHKP-UKRRQHHQSA-N 1 1 324.469 0.515 10 0 DCAEMO NC(=O)NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125764017 395905708 /nfs/dbraw/zinc/90/57/08/395905708.db2.gz LTRXIIQRFJDMCZ-UHFFFAOYSA-N 1 1 305.378 0.905 10 0 DCAEMO O=C(CN1CC[NH+](C2CC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000125826422 395906454 /nfs/dbraw/zinc/90/64/54/395906454.db2.gz NEKULAUNKCNABJ-HZPDHXFCSA-N 1 1 307.438 0.936 10 0 DCAEMO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000125917352 395907357 /nfs/dbraw/zinc/90/73/57/395907357.db2.gz ITXGFCILACSRDR-ZDUSSCGKSA-N 1 1 314.430 0.265 10 0 DCAEMO C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)c1ccc(N2CCCC2=O)cc1 ZINC000237364970 395910968 /nfs/dbraw/zinc/91/09/68/395910968.db2.gz FAQVMDGKHONRSC-DOMZBBRYSA-N 1 1 317.389 0.979 10 0 DCAEMO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126339910 395912246 /nfs/dbraw/zinc/91/22/46/395912246.db2.gz PFDNMRVUABQSFL-OLZOCXBDSA-N 1 1 317.455 0.689 10 0 DCAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000126339910 395912249 /nfs/dbraw/zinc/91/22/49/395912249.db2.gz PFDNMRVUABQSFL-OLZOCXBDSA-N 1 1 317.455 0.689 10 0 DCAEMO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@]2(CCO)CCOC2)C1 ZINC000246247470 395945167 /nfs/dbraw/zinc/94/51/67/395945167.db2.gz NMIJVDWYZASVFT-GDBMZVCRSA-N 1 1 313.442 0.807 10 0 DCAEMO C[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000246560967 395952885 /nfs/dbraw/zinc/95/28/85/395952885.db2.gz UVBMGBSWNWFXQO-PMPSAXMXSA-N 1 1 309.454 0.897 10 0 DCAEMO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246864918 395959329 /nfs/dbraw/zinc/95/93/29/395959329.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 1 1 321.465 0.918 10 0 DCAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246864918 395959331 /nfs/dbraw/zinc/95/93/31/395959331.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 1 1 321.465 0.918 10 0 DCAEMO 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RIZFYXACFOFQJW-HZPDHXFCSA-N 1 1 310.442 0.677 10 0 DCAEMO COc1ccncc1NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150776591 395972461 /nfs/dbraw/zinc/97/24/61/395972461.db2.gz NDIZUHSZMBDONJ-AAEUAGOBSA-N 1 1 320.393 0.874 10 0 DCAEMO C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247472793 395974261 /nfs/dbraw/zinc/97/42/61/395974261.db2.gz RVNDBLGBMFZUCV-UTUOFQBUSA-N 1 1 303.428 0.298 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1-n1cnnn1 ZINC000247491414 395975313 /nfs/dbraw/zinc/97/53/13/395975313.db2.gz UGXDTTVOCTZRME-STQMWFEESA-N 1 1 312.377 0.971 10 0 DCAEMO C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247542432 395975755 /nfs/dbraw/zinc/97/57/55/395975755.db2.gz RAELONGNDZZVIF-UMVBOHGHSA-N 1 1 306.410 0.972 10 0 DCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000248390244 395984836 /nfs/dbraw/zinc/98/48/36/395984836.db2.gz HSPDKWZJAMCSTQ-GHMZBOCLSA-N 1 1 309.332 0.148 10 0 DCAEMO C[S@@](=O)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000151397503 395985311 /nfs/dbraw/zinc/98/53/11/395985311.db2.gz MCXSZRPVBGYZOT-NRFANRHFSA-N 1 1 311.407 0.566 10 0 DCAEMO CC[C@H]1CN(C(=O)NCCCn2ccnc2)CC[N@H+]1C[C@H](C)O ZINC000248373992 395985607 /nfs/dbraw/zinc/98/56/07/395985607.db2.gz NDUPBBKWIQQFAM-GJZGRUSLSA-N 1 1 323.441 0.760 10 0 DCAEMO CC[C@@H]1CN(C(=O)CCCC(=O)OC)CC[N@H+]1C[C@H](C)O ZINC000248398950 395985950 /nfs/dbraw/zinc/98/59/50/395985950.db2.gz UWYIXUBWYAZTPY-QWHCGFSZSA-N 1 1 300.399 0.633 10 0 DCAEMO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000248399577 395986446 /nfs/dbraw/zinc/98/64/46/395986446.db2.gz WADCSTMVUMQMEJ-FRRDWIJNSA-N 1 1 315.797 0.816 10 0 DCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(=O)n(C)c2)C1 ZINC000248460672 395989226 /nfs/dbraw/zinc/98/92/26/395989226.db2.gz WRPKLRBCEGWDMK-WCQYABFASA-N 1 1 320.393 0.169 10 0 DCAEMO Cc1noc(CCNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000248630966 395992040 /nfs/dbraw/zinc/99/20/40/395992040.db2.gz PAZCRLIDLSDWEN-QWRGUYRKSA-N 1 1 311.386 0.017 10 0 DCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153873068 396027295 /nfs/dbraw/zinc/02/72/95/396027295.db2.gz HHNWICKTIVZRFI-WBMJQRKESA-N 1 1 309.410 0.224 10 0 DCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000253548763 396030235 /nfs/dbraw/zinc/03/02/35/396030235.db2.gz KDLWUIDWTPOMQB-NEPJUHHUSA-N 1 1 306.366 0.034 10 0 DCAEMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1cncnc1 ZINC000257179116 396034118 /nfs/dbraw/zinc/03/41/18/396034118.db2.gz CJKLWGGTZQYYNG-JKSUJKDBSA-N 1 1 312.373 0.699 10 0 DCAEMO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)CC1 ZINC000155398542 396051246 /nfs/dbraw/zinc/05/12/46/396051246.db2.gz PMZACRSOTAWCKB-NSHDSACASA-N 1 1 323.397 0.155 10 0 DCAEMO C[C@@H]1CN(CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261660672 396053393 /nfs/dbraw/zinc/05/33/93/396053393.db2.gz FSDVAUCYQNSXNN-GUTXKFCHSA-N 1 1 313.442 0.356 10 0 DCAEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cn1c(=O)cnc2ccccc21 ZINC000155537001 396053579 /nfs/dbraw/zinc/05/35/79/396053579.db2.gz ISBSMYPWXVJQNK-BETUJISGSA-N 1 1 314.389 0.948 10 0 DCAEMO Cc1cnn(C[C@@H]2CN(CC[N@@H+]3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107463 396002814 /nfs/dbraw/zinc/00/28/14/396002814.db2.gz XHTOEYKDQHNUBR-HOTGVXAUSA-N 1 1 308.426 0.613 10 0 DCAEMO Cc1cnn(C[C@@H]2CN(CC[N@H+]3CCO[C@@H](C)C3)CCO2)c1 ZINC000249107463 396002820 /nfs/dbraw/zinc/00/28/20/396002820.db2.gz XHTOEYKDQHNUBR-HOTGVXAUSA-N 1 1 308.426 0.613 10 0 DCAEMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249143024 396003567 /nfs/dbraw/zinc/00/35/67/396003567.db2.gz WKJLPOLMHRVKMV-ZIAGYGMSSA-N 1 1 304.456 0.941 10 0 DCAEMO O=C(C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCOCC1 ZINC000152413092 396008854 /nfs/dbraw/zinc/00/88/54/396008854.db2.gz MJNALVHYAZBYMI-CYBMUJFWSA-N 1 1 319.409 0.651 10 0 DCAEMO O=C(C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)N1CCOCC1 ZINC000152413092 396008858 /nfs/dbraw/zinc/00/88/58/396008858.db2.gz MJNALVHYAZBYMI-CYBMUJFWSA-N 1 1 319.409 0.651 10 0 DCAEMO COC(=O)c1ncn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000152434760 396009578 /nfs/dbraw/zinc/00/95/78/396009578.db2.gz XDGVJSTWIKZMSH-AWEZNQCLSA-N 1 1 316.361 0.484 10 0 DCAEMO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000249734414 396012158 /nfs/dbraw/zinc/01/21/58/396012158.db2.gz DEILFHYHIBLOID-LSDHHAIUSA-N 1 1 312.458 0.738 10 0 DCAEMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249844302 396013207 /nfs/dbraw/zinc/01/32/07/396013207.db2.gz ZZKGGMWYCSCHOP-QWHCGFSZSA-N 1 1 315.439 0.107 10 0 DCAEMO Cn1cc([C@@H]2CCCN2C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC000170881159 396100364 /nfs/dbraw/zinc/10/03/64/396100364.db2.gz DXOCGKFTNDRQEP-HNNXBMFYSA-N 1 1 321.425 0.989 10 0 DCAEMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C ZINC000171636612 396120353 /nfs/dbraw/zinc/12/03/53/396120353.db2.gz IORBSAWWUOYJKV-UHFFFAOYSA-N 1 1 307.398 0.554 10 0 DCAEMO CC(=O)NCCCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174343096 396138061 /nfs/dbraw/zinc/13/80/61/396138061.db2.gz ISYUVSWGPRGCGY-ZIAGYGMSSA-N 1 1 313.442 0.596 10 0 DCAEMO CCN1CCN(c2ccc(CNC(=O)[C@H](C)C[NH3+])cn2)CC1 ZINC000262424182 396139064 /nfs/dbraw/zinc/13/90/64/396139064.db2.gz SATSDUZVZUPYAT-CYBMUJFWSA-N 1 1 305.426 0.435 10 0 DCAEMO CN(C)Cc1cc(CNC(=O)C[C@@H]2COCC[NH2+]2)ccc1F ZINC000262437442 396139715 /nfs/dbraw/zinc/13/97/15/396139715.db2.gz UNDYPDWLFIRCLW-CQSZACIVSA-N 1 1 309.385 0.882 10 0 DCAEMO Cc1nccn1CCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161934585 396077865 /nfs/dbraw/zinc/07/78/65/396077865.db2.gz JOPVIAPHNPVNNV-ZDUSSCGKSA-N 1 1 300.428 0.595 10 0 DCAEMO CC(C)N1CCc2nc(CNC[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263195630 396205966 /nfs/dbraw/zinc/20/59/66/396205966.db2.gz IJACRUYAJJJHFV-YPMHNXCESA-N 1 1 310.467 0.580 10 0 DCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262630449 396164124 /nfs/dbraw/zinc/16/41/24/396164124.db2.gz MNGNUZVZLRNHCX-NEPJUHHUSA-N 1 1 306.366 0.641 10 0 DCAEMO C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262641569 396167098 /nfs/dbraw/zinc/16/70/98/396167098.db2.gz KXVSYHROUGFFMO-QXSJWSMHSA-N 1 1 308.470 0.659 10 0 DCAEMO C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@@H]1N1CCOCC1 ZINC000177233850 396170329 /nfs/dbraw/zinc/17/03/29/396170329.db2.gz RSZKHSYSYHHDSN-ZBFHGGJFSA-N 1 1 318.421 0.350 10 0 DCAEMO Cn1nc(CC(=O)NCC(F)(F)C[NH3+])c2ccccc2c1=O ZINC000262712516 396175213 /nfs/dbraw/zinc/17/52/13/396175213.db2.gz QGLFIFMDKAGNRR-UHFFFAOYSA-N 1 1 310.304 0.186 10 0 DCAEMO CCOc1ncccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177680776 396180891 /nfs/dbraw/zinc/18/08/91/396180891.db2.gz HURRWWDCUIGPBG-LBPRGKRZSA-N 1 1 318.377 0.725 10 0 DCAEMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)CC1 ZINC000263072383 396200417 /nfs/dbraw/zinc/20/04/17/396200417.db2.gz WQVRHLFHMOPDBH-QWRGUYRKSA-N 1 1 319.352 0.079 10 0 DCAEMO CNc1nnc(CC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)s1 ZINC000183675536 396273413 /nfs/dbraw/zinc/27/34/13/396273413.db2.gz MDCTWVQNGGGVLM-SNVBAGLBSA-N 1 1 313.427 0.301 10 0 DCAEMO CNc1nnc(CC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)s1 ZINC000183675536 396273414 /nfs/dbraw/zinc/27/34/14/396273414.db2.gz MDCTWVQNGGGVLM-SNVBAGLBSA-N 1 1 313.427 0.301 10 0 DCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(=O)n(C)c2)CC1 ZINC000178994666 396217849 /nfs/dbraw/zinc/21/78/49/396217849.db2.gz HYVBQDFMCNBNDY-ZDUSSCGKSA-N 1 1 308.382 0.306 10 0 DCAEMO C[NH+](C)[C@H](CNC(=O)NCCCn1ccnn1)c1ccco1 ZINC000184703147 396302907 /nfs/dbraw/zinc/30/29/07/396302907.db2.gz LXCFFWGIDWVDNE-GFCCVEGCSA-N 1 1 306.370 0.863 10 0 DCAEMO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000184737365 396303833 /nfs/dbraw/zinc/30/38/33/396303833.db2.gz PHGBXUDWVZJXGU-UOVKNHIHSA-N 1 1 310.369 0.819 10 0 DCAEMO O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)N[C@H]1CCCc2ccccc21 ZINC000184733544 396304022 /nfs/dbraw/zinc/30/40/22/396304022.db2.gz JEJWLPXZOZRBKH-INMHGKMJSA-N 1 1 318.417 0.998 10 0 DCAEMO CN(C)c1noc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000185258960 396322938 /nfs/dbraw/zinc/32/29/38/396322938.db2.gz 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396357821 /nfs/dbraw/zinc/35/78/21/396357821.db2.gz QQIZICYCQZRRRU-UHFFFAOYSA-N 1 1 311.407 0.778 10 0 DCAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cn1 ZINC000187075803 396363232 /nfs/dbraw/zinc/36/32/32/396363232.db2.gz VSRTWNDBXFMXHJ-UHFFFAOYSA-N 1 1 320.422 0.780 10 0 DCAEMO Cn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=S)[nH]3)CC2)cn1 ZINC000187075803 396363234 /nfs/dbraw/zinc/36/32/34/396363234.db2.gz VSRTWNDBXFMXHJ-UHFFFAOYSA-N 1 1 320.422 0.780 10 0 DCAEMO CC(=O)N1CC(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000188296438 396381131 /nfs/dbraw/zinc/38/11/31/396381131.db2.gz ODEANOLCQWXURA-GFCCVEGCSA-N 1 1 309.410 0.176 10 0 DCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cn(C)nc1C ZINC000190343473 396405233 /nfs/dbraw/zinc/40/52/33/396405233.db2.gz ZBHPCFAMALZGLX-QWHCGFSZSA-N 1 1 319.409 0.752 10 0 DCAEMO CCc1n[nH]c(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000190644850 396408738 /nfs/dbraw/zinc/40/87/38/396408738.db2.gz CMPVFWHDBOIPGS-AWEZNQCLSA-N 1 1 323.441 0.240 10 0 DCAEMO CCc1nc(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n[nH]1 ZINC000190644850 396408742 /nfs/dbraw/zinc/40/87/42/396408742.db2.gz CMPVFWHDBOIPGS-AWEZNQCLSA-N 1 1 323.441 0.240 10 0 DCAEMO CCC(CC)[C@H](CNC(=O)N1CC(CO)C1)[NH+]1CCOCC1 ZINC000190795733 396411692 /nfs/dbraw/zinc/41/16/92/396411692.db2.gz DZUDJGACLHXVQP-HNNXBMFYSA-N 1 1 313.442 0.757 10 0 DCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nnnn1CC(F)(F)F ZINC000190892016 396412737 /nfs/dbraw/zinc/41/27/37/396412737.db2.gz XRSCPZHEFFGGGK-VHSXEESVSA-N 1 1 304.320 0.904 10 0 DCAEMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000286153381 396377506 /nfs/dbraw/zinc/37/75/06/396377506.db2.gz LLNVNWUSKRNRHY-BXUZGUMPSA-N 1 1 307.369 0.837 10 0 DCAEMO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000289309037 396458746 /nfs/dbraw/zinc/45/87/46/396458746.db2.gz JAHPNMCBWCOGCC-CYBMUJFWSA-N 1 1 304.394 0.879 10 0 DCAEMO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000289309037 396458748 /nfs/dbraw/zinc/45/87/48/396458748.db2.gz JAHPNMCBWCOGCC-CYBMUJFWSA-N 1 1 304.394 0.879 10 0 DCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000373913311 396623161 /nfs/dbraw/zinc/62/31/61/396623161.db2.gz UGKQMZRYZOKHGP-FRRDWIJNSA-N 1 1 317.455 0.352 10 0 DCAEMO C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000373913311 396623163 /nfs/dbraw/zinc/62/31/63/396623163.db2.gz UGKQMZRYZOKHGP-FRRDWIJNSA-N 1 1 317.455 0.352 10 0 DCAEMO COC[C@@H](O)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000374641629 396677624 /nfs/dbraw/zinc/67/76/24/396677624.db2.gz OHIWVMPHWWVIET-CWRNSKLLSA-N 1 1 321.421 0.813 10 0 DCAEMO CSCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374833518 396690691 /nfs/dbraw/zinc/69/06/91/396690691.db2.gz FFIGQRWHYRIQLR-LBPRGKRZSA-N 1 1 308.469 0.476 10 0 DCAEMO COc1cccc2c1CC[N@@H+](CCS(=O)(=O)N(C)C)CC2 ZINC000375617380 396781475 /nfs/dbraw/zinc/78/14/75/396781475.db2.gz NBIOZTFCANLWTN-UHFFFAOYSA-N 1 1 312.435 0.987 10 0 DCAEMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000305654168 396744372 /nfs/dbraw/zinc/74/43/72/396744372.db2.gz VMADTOSIHVBYEX-STQMWFEESA-N 1 1 304.456 0.893 10 0 DCAEMO CC(=O)N(C)CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700069 396777211 /nfs/dbraw/zinc/77/72/11/396777211.db2.gz ZURXSYAXYBDIIN-MRXNPFEDSA-N 1 1 319.405 0.348 10 0 DCAEMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)CN1CSCC1=O ZINC000328619577 396824031 /nfs/dbraw/zinc/82/40/31/396824031.db2.gz GBHCFGICMOXUEE-NSHDSACASA-N 1 1 308.407 0.437 10 0 DCAEMO CCN(Cc1nnc(C)o1)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC000328627822 396826211 /nfs/dbraw/zinc/82/62/11/396826211.db2.gz GPABGMQVNNEWBR-QLFBSQMISA-N 1 1 324.425 0.814 10 0 DCAEMO O=S(=O)(CC[C@H]1CCCO1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328630883 396827113 /nfs/dbraw/zinc/82/71/13/396827113.db2.gz QJOAIRJZHVVAEH-QWHCGFSZSA-N 1 1 313.423 0.934 10 0 DCAEMO CCc1n[nH]cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000591185160 396884879 /nfs/dbraw/zinc/88/48/79/396884879.db2.gz TZSUCPMWAFTJDZ-LLVKDONJSA-N 1 1 307.398 0.289 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@H](CC(N)=O)C1 ZINC000376721329 396968421 /nfs/dbraw/zinc/96/84/21/396968421.db2.gz CZZXMOIWPKGILC-WCQYABFASA-N 1 1 307.398 0.735 10 0 DCAEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@H](CC(N)=O)C1 ZINC000376721327 396968693 /nfs/dbraw/zinc/96/86/93/396968693.db2.gz CZZXMOIWPKGILC-AAEUAGOBSA-N 1 1 307.398 0.735 10 0 DCAEMO CCOC(=O)C1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000571617280 396970898 /nfs/dbraw/zinc/97/08/98/396970898.db2.gz BJCMCFOMRWAEBV-CYBMUJFWSA-N 1 1 310.394 0.530 10 0 DCAEMO Cc1conc1C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000630939563 397139891 /nfs/dbraw/zinc/13/98/91/397139891.db2.gz GQDGBCBBPPMKTH-KBPBESRZSA-N 1 1 322.409 0.460 10 0 DCAEMO Cc1conc1C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000630939563 397139895 /nfs/dbraw/zinc/13/98/95/397139895.db2.gz GQDGBCBBPPMKTH-KBPBESRZSA-N 1 1 322.409 0.460 10 0 DCAEMO C[C@H]1C(=O)NCCCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000378460103 397243064 /nfs/dbraw/zinc/24/30/64/397243064.db2.gz UWXYHUFMPKPZIL-NWDGAFQWSA-N 1 1 305.382 0.366 10 0 DCAEMO CNS(=O)(=O)CCC[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000408349319 397353778 /nfs/dbraw/zinc/35/37/78/397353778.db2.gz OPNGVEXEHUTULU-QWHCGFSZSA-N 1 1 306.428 0.196 10 0 DCAEMO NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000366540258 397373090 /nfs/dbraw/zinc/37/30/90/397373090.db2.gz WGIAZPYNTGCZQN-JSGCOSHPSA-N 1 1 309.410 0.354 10 0 DCAEMO C[N@@H+](C[C@@H](O)Cn1cccn1)C1CCN(c2ncccn2)CC1 ZINC000365833852 397323067 /nfs/dbraw/zinc/32/30/67/397323067.db2.gz QQULACSPJJTHJI-OAHLLOKOSA-N 1 1 316.409 0.635 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CC[N@H+]1C ZINC000578931563 397502688 /nfs/dbraw/zinc/50/26/88/397502688.db2.gz MDGIAGSUIVGPBO-MNOVXSKESA-N 1 1 319.409 0.787 10 0 DCAEMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cn(C)nc2C2CC2)CC[N@@H+]1C ZINC000578931563 397502690 /nfs/dbraw/zinc/50/26/90/397502690.db2.gz MDGIAGSUIVGPBO-MNOVXSKESA-N 1 1 319.409 0.787 10 0 DCAEMO 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